mutagenicity sdf export

6 files changed, 624536 insertions, 1 deletions

diff --git a/Makefile b/Makefile
index b554210..a73e178 100644
--- a/Makefile
+++ b/Makefile
@@ -55,7 +55,13 @@ data/PA_complete_SMILES_fixed.csv: data/PA_complete_SMILES.csv
 	
 # training data
 
-data/merged.csv: $(data)
+export/mutagenicity-merged.sdf: data/mutagenicity-merged.id
+	scripts/export-sdf.rb $< > $@
+
+data/mutagenicity-merged.id: data/mutagenicity-merged.csv
+	scripts/import-csv.rb $< > $@
+
+data/mutagenicity-merged.csv: $(data)
 	echo "SMILES,Activity" > $@ && cat $(data) | sort -u | sed '/SMILES/d' >> $@
 
 data/carcinogenicity.csv: data/aid1205.csv
diff --git a/data/mutagenicity-merged.csv b/data/mutagenicity-merged.csv
new file mode 100644
index 0000000..5da45c4
--- /dev/null
+++ b/data/mutagenicity-merged.csv
@@ -0,0 +1,8301 @@
+SMILES,Activity
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],1
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,0
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0
+Br/C=C/Br,1
+Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,0
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0
+BrC(=C)C(=O)C,1
+BrC(=C)C(=O)O,0
+BrC(=C)C=O,1
+BrC(Br)Br,1
+BrC(C#N)Br,1
+BrC(C(=O)O)Br,1
+BrC(C(Br)(Br)Br)Br,0
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,0
+BrC(C(Br)Br)Br,0
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,1
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,0
+BrC(C1=C(Br)C(=O)OC1)Br,1
+BrC(C1=C(Br)C(=O)OC1O)Br,1
+BrC(C1=C(Cl)C(=O)OC1)Br,1
+BrC(C1=C(Cl)C(=O)OC1O)Br,1
+BrC(C=O)CBr,1
+BrC([N+](=O)[O-])(Br)Br,1
+BrC(c1ccccc1)C(=O)NCc1ccccc1,0
+BrC/C=C\CBr,1
+BrC1=C(Br)C(=O)OC1,1
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,0
+BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0
+BrC=C,1
+BrCBr,1
+BrCC#C,1
+BrCC#N,0
+BrCC(=C)Br,1
+BrCC(=O)N(Cc1ccccc1)C,0
+BrCC(=O)NCc1ccccc1,1
+BrCC(=O)Nc1ccc(cc1)C,0
+BrCC(=O)Nc1ccccc1,0
+BrCC(=O)c1ccc(cc1)Br,0
+BrCC(=O)c1ccc(cc1)c1ccccc1,1
+BrCC(=O)c1cccc(c1)OC,0
+BrCC(=O)c1ccccc1,0
+BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
+BrCC(Br)(Br)Br,1
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,1
+BrCC(C)(C)C,0
+BrCC(CBr)Br,1
+BrCC(CBr)Cl,1
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,0
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,0
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,1
+BrCC(c1ccccc1)Br,1
+BrCC1=C(Br)C(=O)OC1,1
+BrCC1=C(Br)C(=O)OC1O,1
+BrCC1=C(Cl)C(=O)OC1,1
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,1
+BrCC=C,1
+BrCCBr,1
+BrCCC(=O)N1CCN(CC1)C(=O)CCBr,1
+BrCCC(Br)Br,1
+BrCCC(CCBr)(CO)CO,1
+BrCCCBr,0
+BrCCCCBr,1
+BrCCCCCBr,1
+BrCCCCCCCC(=O)O,1
+BrCCOC(=O)C(=O)OCCBr,1
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,1
+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,1
+BrCCOC(=O)C=C,1
+BrCCOC(=O)CC(C(=O)OCCBr)O,1
+BrCCSCC(C(=O)OC)NC(=O)C,1
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,1
+BrC[C@H](Br)C,1
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,1
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,1
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,1
+BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,1
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,1
+BrC[C@H](c1ccccc1)Br,1
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1
+BrC[C@H]1CO1,1
+BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,1
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1
+BrCc1c2ccccc2c(c2c1cccc2)C,1
+BrCc1c2ccccc2cc2c1c1ccccc1cc2,1
+BrCc1c2ccccc2cc2c1cccc2,1
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
+BrCc1ccc(cc1)Br,0
+BrCc1ccc(cc1)CBr,0
+BrCc1ccc(cc1)[N+](=O)[O-],1
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
+BrCc1ccc2c3c1-c1ccccc1-c3ccc2,1
+BrCc1cccc(c1)CBr,0
+BrCc1cccc(c1)[N+](=O)[O-],0
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,1
+BrCc1ccccc1,1
+BrCc1ccccc1CBr,0
+BrCc1ccccc1[N+](=O)[O-],0
+BrN1C(=O)CCC1=O,1
+Br[C@@H](C=O)CBr,1
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0
+Br[C@H](CBr)COC(=O)C=C,1
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,1
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0
+Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,0
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,0
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,1
+Brc1cc(Br)c(c(c1)Br)O,0
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,1
+Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0
+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,1
+Brc1cc2cccnc2c(c1)C(=O)O,0
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,0
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
+Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,0
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,0
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,1
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
+Brc1ccc(cc1)[N+](=O)[O-],1
+Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,0
+Brc1ccc(cc1)c1ccccc1,0
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,0
+Brc1ccc2c(c1)C=CC1C2CCCC1,0
+Brc1ccc2c(c1)[nH]c(c2)C(=N)N,0
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,1
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
+Brc1cccc(c1)[N+](=O)[O-],1
+Brc1cccc(c1)c1ccccc1,0
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,1
+Brc1ccccc1,0
+Brc1ccccc1c1ccccc1,0
+Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,0
+Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,0
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,1
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,0
+C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,0
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,0
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,0
+C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0
+C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,0
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,0
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0
+C#CCOCC[n+]1ccccc1/C=N/O,0
+C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,0
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,1
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,0
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,0
+C(C1OC1)CC1OC1,1
+C(C1OC1)Cc1ccccc1,1
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,1
+C(C[C@@H]1OC1)CC[C@@H]1OC1,1
+C(Sc1ccccc1)CSc1ccccc1,0
+C([C@@H]1OC1)C[C@@H]1OC1,1
+C([C@@H]1OC1)Cc1ccccc1,1
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0
+C/C(=C/C)/C#N,0
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,0
+C/C(=C/COC(=O)C)/CCC=C(C)C,0
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,0
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0
+C/C(=C\C)/C#N,0
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,0
+C/C(=C\C)/CCl,1
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,1
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0
+C/C(=C\C=O)/Cl,1
+C/C(=N/O)/C(=O)C,0
+C/C(=N/O)/CC,1
+C/C(=N\O)/C(=O)C,0
+C/C(=N\O)/CC,1
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,0
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,0
+C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,0
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,0
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,1
+C/C=C(/C=O)\Cl,1
+C/C=C(\C=O)/Cl,1
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,0
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,1
+C/C=C/1\C[C@H]2C[C@@H]1C=C2,0
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,0
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,0
+C/C=C/C,0
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,1
+C/C=C/C1OC(=O)C=CC1O,0
+C/C=C/C=C/C(=O)O.[K+],0
+C/C=C/C=C/C=O,1
+C/C=C/C=O,1
+C/C=C/CC#N,0
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,0
+C/C=C/Cl,1
+C/C=C/c1cc(OC)c(cc1OC)OC,1
+C/C=C/c1cc(OC)ccc1OC,0
+C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,0
+C/C=C/c1ccc(c(c1)OC)O,0
+C/C=C/c1ccc(cc1)OC,0
+C/C=C/c1ccc(cc1OC)OC,0
+C/C=C/c1ccc2c(c1)OCO2,0
+C/C=C/c1cccc(c1OC)OC,1
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,1
+C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,1
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,1
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],0
+C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0
+C/C=C\C=C,0
+C/C=C\C=C/C(=O)O,0
+C/C=C\C=C/C=O,1
+C/C=C\C=O,1
+C/C=C\c1cc(OC)c(cc1OC)OC,1
+C/C=C\c1ccc(c(c1)OC)O,0
+C/C=N/N(C=O)C,0
+C/C=N\O,1
+C/N=N/O,1
+C/N=N/O.[K+],1
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,1
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,1
+C1=C[C@@H]2[C@H](C=C1)O2,1
+C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,0
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,1
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,1
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,1
+C1C/C=C/CCC2C(CC/C=C\1)O2,0
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0
+C1C2SCC=CN2C1=O,0
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1
+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
+C1CC23C(C1)(O3)C=CC=C2,1
+C1CC2=CC3C(C=C(C1)O2)O3,0
+C1CC2CCc3c(C42C(C1)O4)cccc3,0
+C1CC2OC2CCC2C1O2,0
+C1CC=C2C(C1)CCc1c2cccc1,1
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,1
+C1CCC(CC1)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
+C1CCC(CC1)N=C=NC1CCCCC1,0
+C1CCC(CC1)NC1CCCCC1,0
+C1CCC(CC1)NSc1nc2c(s1)cccc2,0
+C1CCC2(CC1)CO2,0
+C1CCC2(CO1)CO2,1
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,1
+C1CCC2C(C1)CC1(CC2)CO1,0
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+ClC1CCN(CC1)N=O,1
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+ClC[C@H]1CO1,1
+ClC[C@](CBr)(Br)C,0
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+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0
+ClCc1c2ccccc2c(c2c1cccc2)C,1
+ClCc1c2ccccc2c(c2c1cccc2)CCl,1
+ClCc1c2ccccc2c(c2c1cccc2)Cl,1
+ClCc1c2ccccc2cc2c1cccc2,1
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,1
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
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+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,0
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,1
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,1
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,1
+Nc1cc(Cl)c(c(c1)Cl)Cl,0
+Nc1cc(Cl)c(c(c1)Cl)N,1
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,1
+Nc1cc(Cl)cc(c1)Cl,0
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,1
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,1
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,1
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,1
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,1
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,1
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,1
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,1
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,1
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,1
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,1
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,1
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,1
+Nc1cc([N+](=O)[O-])c(cc1C)N,1
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,1
+Nc1cc([N+](=O)[O-])c(cc1F)N,1
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],1
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,1
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,0
+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
+Nc1cc(nn1C)C1CC1,1
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,0
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,1
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,1
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,1
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
+Nc1cc2cccc3c2c2c1cccc2cc3,1
+Nc1cc2ccccc2c2c1cccc2,1
+Nc1cc2ccccc2cc1N,1
+Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,1
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,1
+Nc1cc2nc3ccccc3nc2cc1N,1
+Nc1cc2nc3ccccc3nc2cc1O,1
+Nc1ccc(c(c1)C(=O)O)O,0
+Nc1ccc(c(c1)C(F)(F)F)Cl,0
+Nc1ccc(c(c1)C)C,1
+Nc1ccc(c(c1)C)N,1
+Nc1ccc(c(c1)C)c1ccc(cc1C)N,1
+Nc1ccc(c(c1)Cl)C,1
+Nc1ccc(c(c1)Cl)C.Cl,0
+Nc1ccc(c(c1)Cl)Cl,0
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,1
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1
+Nc1ccc(c(c1)N)C,1
+Nc1ccc(c(c1)N)Cl,1
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,1
+Nc1ccc(c(c1)N)N=Nc1ccccc1,1
+Nc1ccc(c(c1)N)O,1
+Nc1ccc(c(c1)N)[N+](=O)[O-],1
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,1
+Nc1ccc(c(c1)O)C,1
+Nc1ccc(c(c1)O)[N+](=O)[O-],1
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,0
+Nc1ccc(c(c1)S(=O)(=O)O)N,0
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,0
+Nc1ccc(c(c1)[N+](=O)[O-])C,1
+Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,1
+Nc1ccc(c(c1)[N+](=O)[O-])N,1
+Nc1ccc(c(c1)[N+](=O)[O-])O,1
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],1
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,1
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,1
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,1
+Nc1ccc(c(c1Cl)Cl)Cl,0
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,1
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,1
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
+Nc1ccc(c2c1cccc2)N,1
+Nc1ccc(c2c1cccc2)S(=O)(=O)O,0
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,0
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,1
+Nc1ccc(cc1)/C=C/c1ccc(cc1)N,1
+Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,1
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,1
+Nc1ccc(cc1)/C=C/c1ccccc1,1
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,1
+Nc1ccc(cc1)/N=N/c1ccccc1,1
+Nc1ccc(cc1)Br,0
+Nc1ccc(cc1)C(=O)N,0
+Nc1ccc(cc1)CCc1ccc(cc1)N,1
+Nc1ccc(cc1)CCc1ccccc1,1
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,1
+Nc1ccc(cc1)Cc1ccc(cc1)N,1
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,1
+Nc1ccc(cc1)Cl,1
+Nc1ccc(cc1)Cl.Cl,1
+Nc1ccc(cc1)F,1
+Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,0
+Nc1ccc(cc1)N,1
+Nc1ccc(cc1)N.Cl.Cl,1
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,1
+Nc1ccc(cc1)N=Nc1cccc(c1N)N,1
+Nc1ccc(cc1)N=Nc1ccccc1,1
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,0
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)Nc1ccccc1,0
+Nc1ccc(cc1)O,0
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,1
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,1
+Nc1ccc(cc1)Oc1ccc(cc1)N,1
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,1
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,1
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,1
+Nc1ccc(cc1)Oc1ccccc1,1
+Nc1ccc(cc1)S(=O)(=O)N,0
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
+Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,0
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,0
+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0
+Nc1ccc(cc1)S(=O)(=O)O,0
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
+Nc1ccc(cc1)Sc1ccc(cc1)N,1
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)Sc1ccccc1,1
+Nc1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,1
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,1
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,1
+Nc1ccc(cc1)c1ccc(cc1)Cl,1
+Nc1ccc(cc1)c1ccc(cc1)N,1
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,1
+Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,1
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,0
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,1
+Nc1ccc(cc1)c1ccccc1,1
+Nc1ccc(cc1)c1ccccc1C,1
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,1
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,1
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,1
+Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,1
+Nc1ccc(cc1C)NOS(=O)(=O)O,1
+Nc1ccc(cc1C)S(=O)(=O)O,0
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,1
+Nc1ccc(cc1Cl)C(F)(F)F,0
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,0
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,1
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,1
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,1
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,1
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,1
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,1
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,1
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,1
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
+Nc1ccc2-c3c(Cc2c1)cccc3,1
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,0
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,1
+Nc1ccc2c(-c3ccccc3C2)c1,1
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,1
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,1
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,1
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,1
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,1
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,1
+Nc1ccc2c(c1)[nH]c1c2cccc1,1
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,0
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,1
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,1
+Nc1ccc2c(c1)c(Cl)ns2,1
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,1
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,1
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,1
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,1
+Nc1ccc2c(c1)c1ccccc1[nH]2,1
+Nc1ccc2c(c1)c1ccccc1cc2,1
+Nc1ccc2c(c1)c1ccccc1n2C,1
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,1
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,1
+Nc1ccc2c(c1)cc1c(c2)cccc1,1
+Nc1ccc2c(c1)cc1c(n2)cccc1,1
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
+Nc1ccc2c(c1)ccc1c2cccc1,1
+Nc1ccc2c(c1)cccc2,1
+Nc1ccc2c(c1)cccn2,0
+Nc1ccc2c(c1)cns2,1
+Nc1ccc2c(c1)nc(c(n2)C)C,1
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1
+Nc1ccc2c(c1)nc1c(c2)cccc1,1
+Nc1ccc2c(c1)nc1c(c2N)cccc1,1
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,1
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,1
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,1
+Nc1ccc2c(c1)nc1c(n2)cccc1,1
+Nc1ccc2c(c1)nccc2,1
+Nc1ccc2c(c1)oc(=O)cc2C,0
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,1
+Nc1ccc2c(c1)oc1c2cccc1,1
+Nc1ccc2c(c1)s[nH]c2=O,0
+Nc1ccc2c(c1)scn2,1
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,1
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0
+Nc1ccc2c(c1C(C)(C)C)cccc2,0
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,1
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,0
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,1
+Nc1ccc2c(n1)[nH]c1c2cccc1,1
+Nc1ccc2c(n1)c1ccccc1cc2,1
+Nc1ccc2c(n1)cccc2,1
+Nc1ccc2c(n1)n1cccc(c1n2)C,1
+Nc1ccc2c(n1)n1ccccc1n2,1
+Nc1ccc2c(n1)no[n+]2[O-],1
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,1
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
+Nc1cccc(c1)C(F)(F)F,0
+Nc1cccc(c1)Cl,0
+Nc1cccc(c1)N,1
+Nc1cccc(c1)O,1
+Nc1cccc(c1)S(=O)(=O)O,0
+Nc1cccc(c1)[N+](=O)[O-],1
+Nc1cccc(c1)c1ccccc1,1
+Nc1cccc(c1C)N,1
+Nc1cccc(c1C)N.Cl.Cl,1
+Nc1cccc(n1)N,1
+Nc1cccc2-c3c(Cc12)cccc3,1
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,1
+Nc1cccc2c1-c1ccccc1C2,1
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,1
+Nc1cccc2c1C(=O)c1ccccc1C2=O,1
+Nc1cccc2c1c(=O)[nH][nH]c2=O,0
+Nc1cccc2c1c(N)c1c(n2)cccc1,1
+Nc1cccc2c1c(N)ccc2,1
+Nc1cccc2c1c(O)nnc2O,0
+Nc1cccc2c1c1ccccc1cc2,0
+Nc1cccc2c1cc1ccccc1c2,1
+Nc1cccc2c1cc1ccccc1n2,1
+Nc1cccc2c1ccc1c2cccc1,1
+Nc1cccc2c1cccc2,1
+Nc1cccc2c1cccc2N,1
+Nc1cccc2c1cccn2,1
+Nc1cccc2c1nc1CCCCc1c2,1
+Nc1cccc2c1nc1c(N)cccc1n2,0
+Nc1cccc2c1nc1cccc(c1n2)N,1
+Nc1cccc2c1nc1ccccc1n2,1
+Nc1cccc2c1nccc2,1
+Nc1cccc2c1snc2,1
+Nc1cccc2c1snc2Cl,1
+Nc1ccccc1,0
+Nc1ccccc1.Cl,0
+Nc1ccccc1C(F)(F)F,0
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+c1ccc(cc1)c1ccccc1OCC1CO1,1
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,1
+c1ccc(cc1)c1ccccc1c1ccccc1,0
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
+c1ccc(cc1)c1nc2c(o1)cccc2,0
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+c1ccc(nc1)c1cccnc1,1
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,0
+c1ccc2-c3c(Cc2c1)cccc3,0
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,1
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,1
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,1
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,1
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,1
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,1
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,1
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,1
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,1
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,1
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,1
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,1
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,1
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,1
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,1
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,1
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,1
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,1
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,1
+c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,1
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,1
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,1
+c1ccc2-c3ncsc3CCc2n1,0
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,1
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,1
+c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,1
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,1
+c1ccc2c(-c3ccccc3C3C2N3)c1,1
+c1ccc2c(-c3ccccc3C3C2O3)c1,1
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,1
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,1
+c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,1
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,1
+c1ccc2c(c1)Oc1c(O2)cccc1,0
+c1ccc2c(c1)Sc1c(N2)cccc1,0
+c1ccc2c(c1)Sc1c(O2)cccc1,0
+c1ccc2c(c1)[nH]c1c2ccnc1,1
+c1ccc2c(c1)[nH]cc2,0
+c1ccc2c(c1)[nH]cn2,0
+c1ccc2c(c1)[nH]nn2,1
+c1ccc2c(c1)c(CCC1CO1)ccc2,1
+c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,1
+c1ccc2c(c1)c(OCC1CO1)ccc2,1
+c1ccc2c(c1)c(OCC1CO1)ns2,1
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,1
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,1
+c1ccc2c(c1)c(ccc2)CC1CO1,1
+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,1
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,1
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,0
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,1
+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,1
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,1
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,1
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,1
+c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,1
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,1
+c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,1
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,1
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,1
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,1
+c1ccc2c(c1)c1ccccc1c1c2cccc1,1
+c1ccc2c(c1)c1ccccc1cc2,1
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,1
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,1
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,1
+c1ccc2c(c1)cc(cc2)OCC1CO1,1
+c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,1
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,1
+c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,1
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,1
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,1
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,1
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,1
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
+c1ccc2c(c1)cc1c(c2)cccc1,1
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,1
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,1
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,1
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,1
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,1
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,1
+c1ccc2c(c1)cc1c3c2cccc3C=C1,1
+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,1
+c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,1
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,1
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
+c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,1
+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,1
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,1
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,1
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,1
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,1
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,1
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,1
+c1ccc2c(c1)ccc1c2cccn1,1
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,1
+c1ccc2c(c1)ccc1c2nccc1,1
+c1ccc2c(c1)cccc2,0
+c1ccc2c(c1)cnc1c2cccc1,1
+c1ccc2c(c1)cncc2,0
+c1ccc2c(c1)cnnc2,0
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,0
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,1
+c1ccc2c(c1)nc1c(c2)cccc1,1
+c1ccc2c(c1)nccc2,1
+c1ccc2c(c1)nccn2,1
+c1ccc2c(c1)oc1c2cccc1,0
+c1ccc2c(c1)occ2,0
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,1
+c1ccc2c(c1)scn2,0
+c1ccc2c(c1)snc2,0
+c1ccc2c(n1)C1OC1C1C2O1,0
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,0
+c1ccc2c(n1)c1[nH]ccc1cc2,0
+c1ccc2c(n1)c1c(cc2)CCC2C1O2,1
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,1
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,1
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,1
+c1ccc2c(n1)c1ncccc1cc2,0
+c1ccc2c(n1)cnnc2,0
+c1ccc[nH]1,0
+c1ccccc1,0
+c1cccnc1,0
+c1ccco1,0
+c1cccs1,0
+c1cnc2c(c1)C1OC1C=C2,0
+c1cnc2c(c1)C1OC1CC2,0
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,1
+c1cnc2c(c1)CCC1C2O1,0
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,0
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,1
+c1cnc2c(c1)ccc1c2cccn1,1
+c1coc(c1)c1nc2c([nH]1)cccc2,0
+c1ncc[nH]1,0
+c1nccs1,1
+c1ncn[nH]1,0
+c1scc(n1)c1nc2c([nH]1)cccc2,0
+c1scc(n1)c1nc2c([nH]1)cccc2,1
+n1ccc(cc1)c1ccccn1,1
+n1ccc(cc1)c1ccncc1,1
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
+n1ccc2c(c1)cnnc2,0
+n1ccncc1,0
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,1
diff --git a/data/mutagenicity-merged.id b/data/mutagenicity-merged.id
new file mode 100644
index 0000000..3125d63
--- /dev/null
+++ b/data/mutagenicity-merged.id
@@ -0,0 +1 @@
+5b9120b0ca626908c7c17734
diff --git a/export/mutagenicity-merged.sdf b/export/mutagenicity-merged.sdf
new file mode 100644
index 0000000..5896412
--- /dev/null
+++ b/export/mutagenicity-merged.sdf
@@ -0,0 +1,616213 @@
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
+    0.9430    0.0821    0.0044 Br  0  0  0  0  0  0  0  0  0  0  0  0
+    2.9030    0.0821    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.5832    0.4084   -1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.8232    0.7731   -2.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.4424    0.6648   -2.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8780    0.7449   -3.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.4997    1.2305   -4.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.8549    1.3778   -4.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.4955    1.1894   -3.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.6380   -0.2706    1.2276 N   0  3  0  0  0  0  0  0  0  0  0  0
+    3.0249   -0.5648    2.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
+    5.0080   -0.2706    1.2276 O   0  5  0  0  0  0  0  0  0  0  0  0
+    4.6532    0.4084   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8558    0.5325   -1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.1220    0.3873   -3.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9711    1.4944   -5.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
+    3.4249    1.6435   -5.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.5457    1.3800   -3.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  2  3  2  0  0  0  0
+  2 10  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 13  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4  9  2  0  0  0  0
+  5  6  2  0  0  0  0
+  5 14  1  0  0  0  0
+  6  7  1  0  0  0  0
+  6 15  1  0  0  0  0
+  7  8  2  0  0  0  0
+  7 16  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 17  1  0  0  0  0
+  9 18  1  0  0  0  0
+ 10 11  2  0  0  0  0
+ 10 12  1  0  0  0  0
+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
+    1.0163    0.0939    0.0303 Br  0  0  0  0  0  0  0  0  0  0  0  0
+    2.9763    0.0939    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.6565    1.0895   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.1765    1.0895   -0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.8692    2.2719   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.2304    2.2746   -0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.9188    1.0848   -0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.2577   -0.1458   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.8721   -0.0978   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.9624   -1.5738   -0.4626 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+    9.6533    1.1259   -0.6345 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+    2.9465    2.1288   -1.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
+    3.8115    3.3949   -2.0580 P   0  0  0  0  0  0  0  0  0  0  0  0
+    2.9213    3.2101   -3.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
+    3.3384    4.5033   -0.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
+    2.5396    3.8268    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6765    4.6610   -2.8590 O   0  0  0  0  0  0  0  0  0  0  0  0
+    6.0717    4.4707   -2.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.5113   -0.6892    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
+    5.3355    3.1983   -0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.7638    3.2001   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.7917   -1.0720   -0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.6670    3.4319   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
+    3.1028    3.0263    0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.2470    4.5123    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
+    6.2997    4.4888   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
+    6.3599    3.5260   -3.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6067    5.2538   -3.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  2  3  2  0  0  0  0
+  2 19  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 12  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4  9  2  0  0  0  0
+  5  6  2  0  0  0  0
+  5 20  1  0  0  0  0
+  6  7  1  0  0  0  0
+  6 21  1  0  0  0  0
+  7  8  2  0  0  0  0
+  7 11  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 22  1  0  0  0  0
+  9 10  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 13 14  2  0  0  0  0
+ 13 15  1  0  0  0  0
+ 13 17  1  0  0  0  0
+ 15 16  1  0  0  0  0
+ 16 23  1  0  0  0  0
+ 16 24  1  0  0  0  0
+ 16 25  1  0  0  0  0
+ 17 18  1  0  0  0  0
+ 18 26  1  0  0  0  0
+ 18 27  1  0  0  0  0
+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
+    0.9606    0.0446    0.0804 Br  0  0  0  0  0  0  0  0  0  0  0  0
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+0
+
+$$$$
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+0
+
+$$$$
+
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+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+$$$$
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+1
+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+  6  5  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+  5  4  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+
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+
+$$$$
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+
+$$$$
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+$$$$
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+
+$$$$
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+> <Activity>
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+$$$$
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 27  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 34  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  1  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  8 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+$$$$
+
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+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 48 50  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 56 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 46 49  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   7   1
+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 48 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 51 54  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 56  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 51  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+M  END
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 96 97  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 39 40  0  0  1  0  0  0  0  0999 V2000
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+ 15 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 95102  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+$$$$
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+$$$$
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+M  CHG  1  17   1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 48 51  0  0  1  0  0  0  0  0999 V2000
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+ 23 48  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  4 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
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+  5  6  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+$$$$
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+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
+
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 47 49  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 50  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 48 50  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 51 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 57 57  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  26  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 15 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1   5   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+ 23 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 14  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+ 15 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+  7 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 14 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 55 57  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 67 68  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 22 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  9  0  0  1  0  0  0  0  0999 V2000
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+  4  9  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  1  0  0  0  0  0999 V2000
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+  9 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
+    0.9135   -0.0037   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 57 59  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  20   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 49 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+  4  6  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 55  0  0  0  0  0  0  0  0999 V2000
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+ 22 52  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  5  4  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+ 34 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 43 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 51 54  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+
+$$$$
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+$$$$
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+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 66 72  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+1
+
+$$$$
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+M  CHG  4  26   1  28  -1  29   1  31  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 42  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812323D
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+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+ 41 41  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 18 33  1  0  0  0  0
+M  END
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+0
+
+$$$$
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+
+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 46  0  0  1  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ OpenBabel09061812323D
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 10 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 52  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 43  0  0  1  0  0  0  0  0999 V2000
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+ 20 43  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+$$$$
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+ 48 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  8 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  4  3  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  5  4  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+  2  3  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  4  5  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  4 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+
+$$$$
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+ 28 28  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+$$$$
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 45 49  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+ 25 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+1
+
+$$$$
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+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 18 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+ 21 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  10  -1  13   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 12 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 58 61  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+ 21 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  13   1  25  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
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+
+$$$$
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+0
+
+$$$$
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+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
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+$$$$
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+M  CHG  2  12   1  24  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  4  52   1  53   1  54   1  55   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+ 22 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 21 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
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+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 18 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 23 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 20 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 53 51  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 56 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
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+M  END
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+M  END
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+$$$$
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+$$$$
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+ 48 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+ 43 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 55  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+1
+
+$$$$
+
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+> <Activity>
+1
+
+$$$$
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+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 33  0  0  0  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   9  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   9  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 55  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 21 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 46 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+> <Activity>
+1
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+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 50  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  29   1  31  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+$$$$
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 70 73  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 21 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+ 21 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+  4  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  3   3   1   4  -1   5  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+  5 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 74 75  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 52  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 49  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 67 70  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 62 64  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 72 73  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  17   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 73 76  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 58 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 72 72  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 95101  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 85 89  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 40 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 20 52  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 14 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
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+
+$$$$
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 14 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+ 15 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  6   5   1   7  -1  10   1  12  -1  15   1  17  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  1  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 52 53  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+  8  7  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12  -1  17   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  13   1  15  -1
+M  END
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+$$$$
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 77 81  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  39   1  41  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+$$$$
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+ OpenBabel09061812323D
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 51 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+ 10 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 53  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 46  0  0  1  0  0  0  0  0999 V2000
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+ 19 45  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   3   1   5  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+M  CHG  1  20   1
+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 52  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 12 13  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 11 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 72 74  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 46  0  0  0  0  0  0  0  0999 V2000
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+ 22 46  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+ 15 35  1  0  0  0  0
+ 16 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  1  0  0  0  0  0999 V2000
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+ 16 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  5  6  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 55  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1   6   1
+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2   3   1  51   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+1
+
+$$$$
+
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 19 20  1  0  0  0  0
+ 19 37  1  0  0  0  0
+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+ 11 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 43  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 36 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 67  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 55 57  0  0  0  0  0  0  0  0999 V2000
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+ 25 55  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  6 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 13 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  5 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+ 28 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 63 63  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 52  0  0  0  0  0  0  0  0999 V2000
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+ 29 53  1  0  0  0  0
+M  CHG  3  15  -1  30  -1  31   2
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 19 43  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 10  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   6   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 73 76  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+
+$$$$
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+ 11 23  1  0  0  0  0
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+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
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+$$$$
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 57 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  11   1  13  -1  14   1  16  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 13  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   7   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 13  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 27  1  0  0  0  0
+ 18 28  1  0  0  0  0
+ 19 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 52  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 56 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 12 13  1  0  0  0  0
+ 13 25  1  0  0  0  0
+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 45  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 46 45  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
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+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+M  END
+> <Activity>
+1
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+$$$$
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 66 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+ 14 33  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+  6 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 60  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 11 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+  8 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+  8 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 68 71  0  0  0  0  0  0  0  0999 V2000
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+ 30 68  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 11 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 11 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 68 71  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 40  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 44 44  0  0  0  0  0  0  0  0999 V2000
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+ 23 44  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  4  20   1  22  -1  23   1  25  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 19 45  1  0  0  0  0
+ 20 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+  7 25  1  0  0  0  0
+  8  9  2  0  0  0  0
+  8 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 19 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 10 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 83 82  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 59 58  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 45 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 79 79  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  CHG  2  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 45 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+ 11 33  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 49 47  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  21   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 74 73  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+ 60 61  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  16  -1  17   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 57 55  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  21   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  1  19   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  1  19   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  1  15   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  1  15   1
+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  1  18   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 88 87  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 84 84  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 47 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 37 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 65 67  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 66 66  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 47 47  0  0  0  0  0  0  0  0999 V2000
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+ 22 47  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 51  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 49  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+ 16 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 29 79  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 62 62  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 64 63  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 40 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 54 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+ 10 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 54  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1  22   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 62  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 60  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 11 28  1  0  0  0  0
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+ 13 14  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 61 63  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 61 63  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 66 66  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 13 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+ 13 33  1  0  0  0  0
+ 14 34  1  0  0  0  0
+ 15 35  1  0  0  0  0
+ 16 17  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+  9 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+ 12 13  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+ 12 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  1  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  12  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+$$$$
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+
+$$$$
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+ 14 15  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   6   1   8  -1  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+ 18 37  1  0  0  0  0
+ 19 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 56 55  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+ 11 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 54 55  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0  0  0  0
+ 12 13  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 65 64  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 66 66  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  1  0  0  0  0  0999 V2000
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+  9 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 47  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 39 93  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 49  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 66 66  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 13 33  1  0  0  0  0
+ 13 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 13 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  1  0  0  0  0  0999 V2000
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+ 13 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 80 79  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 52 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 79 78  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+
+$$$$
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+ 12 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 21 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+  9 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  11   1  13  -1  18   1  20  -1
+M  END
+> <Activity>
+0,1
+
+$$$$
+
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+
+ 41 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+  7 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+ 16 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  14  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  4  23   1  25  -1  55   1  57  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+  8 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  1  0  0  0  0  0999 V2000
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+ 21 45  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   9  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  7  8  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 60  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 63 64  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 54 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 58 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 49  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+ 48 50  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812323D
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+ 58 61  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 50  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  3  19   1  21  -1  24   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+ 28 60  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 34 70  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 67  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 69 72  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  31   1
+M  END
+> <Activity>
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+M  END
+> <Activity>
+1
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+$$$$
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+M  CHG  1  26   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  1  37   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   4   1   6  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   4   1   7  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   9  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 59 59  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+  9 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
+
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+  9  8  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 65 67  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
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+
+$$$$
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
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+
+$$$$
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+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  11   1  12  -1
+M  END
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+
+$$$$
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+M  END
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+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+ 24 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   7   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 57 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  1  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 34 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   8  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
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+$$$$
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 66  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
+
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ OpenBabel09061812323D
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+ 47 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
+
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+
+$$$$
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+$$$$
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+ 31 61  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  CHG  1  19   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 60 63  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 50 50  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 56  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+122127  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 58  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+
+$$$$
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  21  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 33 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 16 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 26 40  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+ 17 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 34 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 12 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 12 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+ 21 43  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 42 39  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 30 31  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+118120  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 31 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 40 40  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
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+$$$$
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   4   1   6  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 75 79  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1   3   1
+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+1
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+$$$$
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+M  CHG  1   3   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+$$$$
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 13 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 47  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   3   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   3   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   3   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+1
+
+$$$$
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 51  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
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+
+$$$$
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 14 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 62 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+ 12 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  7 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 17 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  5  4  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+ 24 44  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  15   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  CHG  2  12   1  14  -1
+M  END
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+1
+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 33 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 14 23  1  0  0  0  0
+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
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+ 17 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+  8 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 33  0  0  0  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+ 19 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+  9 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+ 16 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 17 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  5 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 16  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+ 21 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
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+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
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+
+$$$$
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+ 20 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+ 19 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+ 24 42  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+ 22 42  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+1
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+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+ 23 41  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 20 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  1  0  0  0  0  0999 V2000
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+ 12 21  1  0  0  0  0
+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+  8 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+ 11 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 58 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 59 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 57 60  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   3   1   5  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   3   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  1  22   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  22   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8   9   1  11  -1  12   1  14  -1  15   1  17  -1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1  14   1
+M  END
+> <Activity>
+0
+
+$$$$
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  16   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 19 20  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 51 53  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1  14   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 51 53  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
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+$$$$
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 45 44  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 86 93  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 51  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 47 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+0
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 45  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 43 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 43  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 49  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
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+ 54 56  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+ OpenBabel09061812323D
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+  4  8  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   3   1   5  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 61 63  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+ 13 22  1  0  0  0  0
+ 13 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+$$$$
+
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+
+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 33  0  0  1  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 20 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 12 26  1  0  0  0  0
+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 58 59  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 36  0  0  0  0  0  0  0  0999 V2000
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+ 17 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 52 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 70 74  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1  14   1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 16 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+1
+
+$$$$
+
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+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
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+
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+M  END
+> <Activity>
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+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 69 72  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+0
+
+$$$$
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 62 61  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  7  8  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  5 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 21 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  48   1  50  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+0
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
+
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812323D
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 64 69  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  5 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  1  0  0  0  0  0999 V2000
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+ 15 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  1  0  0  0  0  0999 V2000
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+ 17 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 71 75  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+$$$$
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+ 15 28  1  0  0  0  0
+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  1  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+ 16 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ 47 48  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 40 42  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 24 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 43  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+$$$$
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+1
+
+$$$$
+
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+1
+
+$$$$
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+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 65 66  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
+    1.0855   -0.0486   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+ 24 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 59 61  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  5 13  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 31 32  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+  6 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+126126  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+$$$$
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+ 19 44  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+
+$$$$
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+0
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+$$$$
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+  3  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  7  6  0  0  0  0  0  0  0  0999 V2000
+    0.9093   -0.0396   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+ 10 19  1  0  0  0  0
+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  6 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+ 11 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  1  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  6 13  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 62 63  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   5   1   7  -1  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   9   1  11  -1  12   1  14  -1  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 54  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+$$$$
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  16  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 16 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1  37   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+M  END
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+0
+
+$$$$
+
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+$$$$
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+
+$$$$
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+1
+
+$$$$
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+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+ 26 50  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 58 61  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 48  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+$$$$
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+$$$$
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+M  END
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+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+
+$$$$
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 49 51  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 74  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 74 80  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 78 85  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 76 81  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 47  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 47  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  1  21   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 83 90  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 42  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+ 23 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  1  0  0  0  0  0999 V2000
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+ 22 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+M  END
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 55 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 51 55  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+ 19 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+ 23 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+ 23 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 50  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  15   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  22  -1
+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
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+1
+
+$$$$
+
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+1
+
+$$$$
+
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 10 22  1  6  0  0  0
+ 11 12  1  0  0  0  0
+ 12 23  1  0  0  0  0
+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+ 33 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  4  31   1  33  -1  34   1  36  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 48  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 88 93  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 19 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 47  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 67 71  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 51  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+ 82 87  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
+    0.9519    0.0255    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
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+ 11 12  1  0  0  0  0
+ 11 23  1  0  0  0  0
+ 11 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+ 11 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 78 81  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+0
+
+$$$$
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+ OpenBabel09061812323D
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+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15  -1  32   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19  -1  21   1
+M  END
+> <Activity>
+0
+
+$$$$
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+ 45 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11  -1  32   1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 16 27  1  0  0  0  0
+M  END
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+$$$$
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 21 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+$$$$
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+M  END
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+$$$$
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+ OpenBabel09061812323D
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+  9 10  1  0  0  0  0
+  9 20  1  0  0  0  0
+ 10 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
+    0.9931   -0.0159   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
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+  4 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 13 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  1  0  0  0  0  0999 V2000
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+ 11 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 81 82  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 58 58  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  1  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  1  0  0  0  0  0999 V2000
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+ 16 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+ 72 77  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 31 31  0  0  1  0  0  0  0  0999 V2000
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+ 11 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+  8 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 47  0  0  1  0  0  0  0  0999 V2000
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+ 22 44  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 48  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+ 12 25  1  0  0  0  0
+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  1  0  0  0  0  0999 V2000
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+  5 13  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  1  0  0  0  0  0999 V2000
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+  6 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  1  0  0  0  0  0999 V2000
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+  6 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+  5 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  1  0  0  0  0  0999 V2000
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+ 23 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+  6 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 49  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+  5 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+ 34 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 52  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812323D
+
+ 25 24  0  0  1  0  0  0  0  0999 V2000
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+  8 24  1  0  0  0  0
+  9 10  2  0  0  0  0
+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+  4 13  1  0  0  0  0
+  5 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+ 11 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  1  0  0  0  0  0999 V2000
+   -2.3373    4.3137    3.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
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+  9 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  1  0  0  0  0  0999 V2000
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+  8 23  1  0  0  0  0
+  8 24  1  0  0  0  0
+  9 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1   4   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 37 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+0
+
+$$$$
+
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+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
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+$$$$
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+ 45 46  0  0  1  0  0  0  0  0999 V2000
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+$$$$
+
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+ 45 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 36 38  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 48 52  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 42  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 48  0  0  1  0  0  0  0  0999 V2000
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+ 27 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  1  0  0  0  0  0999 V2000
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+ 12 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 58 60  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   2   1   9  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+  9 26  1  0  0  0  0
+  9 27  1  0  0  0  0
+  9 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  5 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+  9 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 36  0  0  0  0  0  0  0  0999 V2000
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+ 13 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   2   1  11   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
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+> <Activity>
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+
+$$$$
+
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+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 22 24  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
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+
+$$$$
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+ 20 21  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+  8  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+
+$$$$
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 47 47  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  30   1  31   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+ 29 45  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 60 62  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  13   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 58 63  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 19 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  42   1  43   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 86 91  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+ 20 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+ 22 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+  9 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  28   1  29   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 16 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 16 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 11 26  1  0  0  0  0
+ 11 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 10 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+ 11 22  1  0  0  0  0
+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 14 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  1  30   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  1  0  0  0  0
+ 15 26  1  0  0  0  0
+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   9   1  17   1  19  -1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  13   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 18 33  1  0  0  0  0
+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   9   1  17   1  19  -1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 11 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 44  0  0  0  0  0  0  0  0999 V2000
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+ 21 41  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
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+
+$$$$
+
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+$$$$
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+1
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+$$$$
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
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+
+$$$$
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+ 24 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 30  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+  8 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+ 24 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 18 33  1  0  0  0  0
+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 48  0  0  0  0  0  0  0  0999 V2000
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+ 24 48  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+ 17 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  5 12  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  10   1  12  -1  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 11 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 23 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+ 18 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  6 12  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 58 60  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+
+$$$$
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+M  CHG  2  17   1  19  -1
+M  END
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+$$$$
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+M  END
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+0
+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+1
+
+$$$$
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  CHG  4  10   1  12  -1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+> <Activity>
+1
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
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+
+ 10 10  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
+
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+
+$$$$
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+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
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+
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+
+$$$$
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+M  END
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+
+$$$$
+
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
+
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+
+$$$$
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+1
+
+$$$$
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+1
+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+ 13 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
+
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
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+
+$$$$
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+1
+
+$$$$
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+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+$$$$
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+ 21 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+1
+
+$$$$
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 18  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 56 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 50  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+1
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+$$$$
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+$$$$
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+> <Activity>
+1
+
+$$$$
+
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+0
+
+$$$$
+
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 10 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  14   1  16  -1
+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 83 87  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 87 92  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+$$$$
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
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+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 52 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 48  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1   9  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+ 15 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  1  0  0  0  0  0999 V2000
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+  5 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  1  0  0  0  0  0999 V2000
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+ 17 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  7 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 22 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+0
+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 22 35  1  0  0  0  0
+M  END
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+
+$$$$
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+  6 10  1  0  0  0  0
+  7  8  1  0  0  0  0
+  8  9  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  2  1  0  0  0  0  0  0  0  0999 V2000
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+    3.0873   -0.0457    0.0753 Cl  0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 12 14  1  0  0  0  0
+ 14 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 29  0  0  1  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+0
+
+$$$$
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+0
+
+$$$$
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+1
+
+$$$$
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+$$$$
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+ 15 15  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+$$$$
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+
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+$$$$
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+$$$$
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+1
+
+$$$$
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+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+1
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+$$$$
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+$$$$
+
+ OpenBabel09061812323D
+
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+ 13 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
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+M  CHG  2   9   1  11  -1
+M  END
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+0
+
+$$$$
+
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+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 11 17  1  0  0  0  0
+M  END
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+1
+
+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+$$$$
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+$$$$
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+M  CHG  4  15   1  17  -1  23   1  25  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  15   1  17  -1  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+ 19 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+ 10 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 11 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  CHG  4  22   1  24  -1  32   1  34  -1
+M  END
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+$$$$
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+ 20 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 20 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+0
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+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
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+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+ 27 43  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+ 37 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
+
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+ 11 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+ 17 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+M  CHG  2  13   1  15  -1
+M  END
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+1
+
+$$$$
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1   9  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 14 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+ 10 15  1  0  0  0  0
+M  END
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+0
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  8 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
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+1
+
+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+ 21 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2   8   1  10  -1
+M  END
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+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+$$$$
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+  7 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  7 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+0
+
+$$$$
+
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+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+
+$$$$
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+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+0
+
+$$$$
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+M  END
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+0
+
+$$$$
+
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+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 13 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+1
+
+$$$$
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+0
+
+$$$$
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+
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+0
+
+$$$$
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+
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
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+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
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+
+$$$$
+
+ OpenBabel09061812323D
+
+  5  4  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 10 10  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 12 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 18 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+ 23 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
+
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+ 22 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  21   1  23  -1  31   1  33  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 31 54  1  0  0  0  0
+ 32 55  1  0  0  0  0
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+ 32 57  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 13 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 11 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 12 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+ 20 31  1  0  0  0  0
+ 21 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  7 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+ 13 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  6  7  1  0  0  0  0
+  6 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  7 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 15 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+0
+
+$$$$
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+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+  5  4  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 10 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  5  4  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 14 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 13 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+ 22 23  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 24 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 54 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 49 51  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  6 13  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 49 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
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+$$$$
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+
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  4 10  1  0  0  0  0
+  5  6  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+ 31 52  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+ 23 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  8  9  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  4  10   1  12  -1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 59 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 49  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+
+$$$$
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+0
+
+$$$$
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+$$$$
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+$$$$
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 18  2  0  0  0  0
+ 17 19  1  0  0  0  0
+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+    5.5784    1.1887    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  3  0  0  0  0
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+ 11 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+ 28 44  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
+   -3.0710   -0.0110    0.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
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+ 12 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 54 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  CHG  2  29   1  30  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+ 12 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+ 12 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 23 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 18 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 12 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+ 18 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 55  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 15  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 16  1  0  0  0  0
+ 12 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 27  1  0  0  0  0
+ 17 18  2  0  0  0  0
+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 17 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 19 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 13 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  3   2   1   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+ 13 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  1  0  0  0  0  0999 V2000
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+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 15 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
+  1 16  1  0  0  0  0
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+  2  3  2  0  0  0  0
+  2  4  1  0  0  0  0
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+  4  5  1  0  0  0  0
+  4 19  1  0  0  0  0
+  5  6  2  0  0  0  0
+  5  7  1  0  0  0  0
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+  8  9  2  0  0  0  0
+  9 10  1  0  0  0  0
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+ 14 20  1  0  0  0  0
+ 14 21  1  0  0  0  0
+ 15 22  1  0  0  0  0
+ 15 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+ 14 22  1  0  0  0  0
+ 15 23  1  0  0  0  0
+ 15 24  1  0  0  0  0
+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+ 24 26  1  0  0  0  0
+M  CHG  4  14   1  16  -1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 15 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 55 57  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 55  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
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+ 12 14  1  0  0  0  0
+ 12 15  1  0  0  0  0
+ 16 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  5 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  5  9  1  0  0  0  0
+  5 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+ 11 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+  9 10  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  1  0  0  0  0  0999 V2000
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+  6 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+  4  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 11 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 20 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  6 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+ 30 44  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  1  0  0  0  0  0999 V2000
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+  6 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  1  0  0  0  0  0999 V2000
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+  5 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+ 12 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+ 12 13  1  0  0  0  0
+ 12 14  1  0  0  0  0
+ 12 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 18  1  0  0  0  0
+M  CHG  4  13   1  15  -1  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 12  1  0  0  0  0
+ 12 19  1  0  0  0  0
+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+ 10 12  1  0  0  0  0
+ 10 13  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+ 10 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+  4  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  6 13  1  0  0  0  0
+  7 14  1  0  0  0  0
+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+ 10 19  1  0  0  0  0
+ 10 20  1  0  0  0  0
+ 11 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+  8 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+ 16 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 12 13  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  1  0  0  0  0  0999 V2000
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+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 86 88  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+    2.0048    4.0912    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.5781    4.8070    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.5781    4.3490    2.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  7  1  0  0  0  0
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+  2  3  1  0  0  0  0
+  2  9  1  0  0  0  0
+  2 10  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 11  1  0  0  0  0
+  3 12  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4  6  1  0  0  0  0
+  4 13  1  0  0  0  0
+  5 14  1  0  0  0  0
+  5 15  1  0  0  0  0
+  6 16  1  0  0  0  0
+  6 17  1  0  0  0  0
+  6 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 69 70  0  0  0  0  0  0  0  0999 V2000
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+ 32 67  1  0  0  0  0
+ 33 68  1  0  0  0  0
+ 33 69  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
+    1.0428   -0.0850    0.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.5528    1.2489   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
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+   -3.2838    1.2660   -3.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
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+  9 22  1  0  0  0  0
+ 10 23  1  0  0  0  0
+ 10 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 36  0  0  0  0  0  0  0  0999 V2000
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+ 14 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 60 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+  9 25  1  0  0  0  0
+  9 26  1  0  0  0  0
+  9 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+   -1.3421   -3.2305   -1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.3421   -1.5838   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  4 13  1  0  0  0  0
+  5 14  1  0  0  0  0
+  5 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+ 14 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  0  0  0  0  0  0999 V2000
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+ 18 44  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+  9 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 55 58  0  0  0  0  0  0  0  0999 V2000
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+ 34 35  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 55 58  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  6 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 35  0  0  0  0  0  0  0  0999 V2000
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+ 13 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 43  0  0  0  0  0  0  0  0999 V2000
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+ 16 44  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+  4 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+  6 16  1  0  0  0  0
+  6 17  1  0  0  0  0
+  6 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+   -1.1875   -4.8844    2.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  7  8  1  0  0  0  0
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+ 11 23  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 12 24  1  0  0  0  0
+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
+    1.0840   -0.0500   -0.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
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+  1  2  1  0  0  0  0
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+ 10 11  2  0  0  0  0
+ 10 22  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 23  1  0  0  0  0
+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+ 11 12  1  0  0  0  0
+ 11 24  1  0  0  0  0
+ 12 25  1  0  0  0  0
+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
+    0.9592    0.0892   -0.0192 N   0  0  0  0  0  0  0  0  0  0  0  0
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+   -1.1928   -0.1940   -4.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.1964   -2.8167   -4.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  1  2  1  0  0  0  0
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+  6  7  1  0  0  0  0
+  6 16  1  0  0  0  0
+  7  8  2  0  0  0  0
+  7 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+    0.5620   -1.2719    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
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+  9 10  1  0  0  0  0
+  9 21  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 11 22  1  0  0  0  0
+ 12 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+  3  9  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 46 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 21  1  0  0  0  0
+ 10 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+ 13 14  1  0  0  0  0
+ 13 23  1  0  0  0  0
+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+   -0.6413   -0.1705   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  9 10  1  0  0  0  0
+  9 16  1  0  0  0  0
+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 29  1  0  0  0  0
+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+  5 13  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+ 12 21  1  0  0  0  0
+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+ 11 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 11  1  0  0  0  0
+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 16  1  0  0  0  0
+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 14 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  1  0  0  0  0  0999 V2000
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+ 12 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 23  0  0  1  0  0  0  0  0999 V2000
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+ 12 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+  7 20  1  0  0  0  0
+  8 21  1  0  0  0  0
+  8 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 68  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+ 11 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 19  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+
+$$$$
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+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 46 70  1  0  0  0  0
+M  END
+> <Activity>
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+
+$$$$
+
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+ 28 48  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  2  0  0  0  0
+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  2  0  0  0  0
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 14 21  1  0  0  0  0
+ 15 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 70 74  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 18 32  1  0  0  0  0
+ 18 33  1  0  0  0  0
+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 14 21  1  0  0  0  0
+M  CHG  4   5   1   7  -1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 19 28  1  0  0  0  0
+M  CHG  4   5   1   7  -1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 13 24  1  0  0  0  0
+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+ 28 41  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  14   1  16  -1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  12   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+ 16 17  1  0  0  0  0
+ 16 27  1  0  0  0  0
+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 27  1  0  0  0  0
+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0  0  0  0
+ 12 21  1  0  0  0  0
+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+ 18 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+ 18 31  1  0  0  0  0
+ 18 32  1  0  0  0  0
+ 18 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+  4  5  1  0  0  0  0
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+  7  8  2  0  0  0  0
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+  8  9  1  0  0  0  0
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+ 14 24  1  0  0  0  0
+ 15 16  1  0  0  0  0
+ 16 25  1  0  0  0  0
+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+ 15 16  1  0  0  0  0
+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+  8  9  2  0  0  0  0
+  8 10  1  0  0  0  0
+ 10 17  1  0  0  0  0
+ 11 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8  9  1  0  0  0  0
+  8 10  1  0  0  0  0
+  8 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+ 16 25  1  0  0  0  0
+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 52 79  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+106113  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+ 24 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ 40 39  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  25   1  26   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 18 19  2  0  0  0  0
+ 18 20  1  0  0  0  0
+M  CHG  4   8   1  10  -1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  7  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 20 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 14  2  0  0  0  0
+ 12 15  1  0  0  0  0
+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 30  1  0  0  0  0
+ 16 17  2  0  0  0  0
+ 16 18  1  0  0  0  0
+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+ 14 16  1  0  0  0  0
+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
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+1
+
+$$$$
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+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+ 23 44  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  6 13  1  0  0  0  0
+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+ 28 48  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+$$$$
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+ 15 16  2  0  0  0  0
+ 15 17  1  0  0  0  0
+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+  6  7  1  0  0  0  0
+  6 19  1  0  0  0  0
+  7 20  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 13  2  0  0  0  0
+  9 10  2  0  0  0  0
+  9 21  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 10 22  1  0  0  0  0
+ 11 12  2  0  0  0  0
+ 11 14  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 12 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
+    2.3040    0.0010    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
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+   -5.4326   -1.1965   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
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+    2.8153   -0.8816    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
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+   -1.6786   -2.1342   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.6731    2.1386    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7688    2.1327   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5216   -2.1291   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.9640   -2.1181   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.9626    2.1254    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5146    2.1258    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -8.0087    0.8756    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -8.0069   -0.8821   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1 15  1  0  0  0  0
+  1 16  1  0  0  0  0
+  2  3  1  0  0  0  0
+  2  7  2  0  0  0  0
+  3  4  2  0  0  0  0
+  3 17  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4 18  1  0  0  0  0
+  5  6  2  0  0  0  0
+  5  8  1  0  0  0  0
+  6  7  1  0  0  0  0
+  6 19  1  0  0  0  0
+  7 20  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 13  2  0  0  0  0
+  9 10  2  0  0  0  0
+  9 21  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 10 22  1  0  0  0  0
+ 11 12  2  0  0  0  0
+ 11 14  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 12 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+ 14 25  1  0  0  0  0
+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
+    2.3040    0.0010    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.9560   -0.0010    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
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+   -4.0545   -1.2048   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
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+   -6.1499    0.0006    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
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+    1.0508    0.0224   -0.0832 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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+   -1.6786   -2.1342   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.6731    2.1386    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7688    2.1327   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5216   -2.1291   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.9640   -2.1181   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.9626    2.1254    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.5146    2.1258    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -8.0087    0.8756    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -8.0069   -0.8821   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.3808    0.0224   -0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.3833   -0.0538    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1 17  1  0  0  0  0
+  1 18  1  0  0  0  0
+  2  3  1  0  0  0  0
+  2  7  2  0  0  0  0
+  3  4  2  0  0  0  0
+  3 19  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4 20  1  0  0  0  0
+  5  6  2  0  0  0  0
+  5  8  1  0  0  0  0
+  6  7  1  0  0  0  0
+  6 21  1  0  0  0  0
+  7 22  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 13  2  0  0  0  0
+  9 10  2  0  0  0  0
+  9 23  1  0  0  0  0
+ 10 11  1  0  0  0  0
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+ 12 25  1  0  0  0  0
+ 13 26  1  0  0  0  0
+ 14 27  1  0  0  0  0
+ 14 28  1  0  0  0  0
+ 15 29  1  0  0  0  0
+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+   -3.3570    0.0006    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
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+   -1.6731    2.1386    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
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+   -5.9640   -2.1181   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  1  2  1  0  0  0  0
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+  6 21  1  0  0  0  0
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+  8  9  1  0  0  0  0
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+ 13 26  1  0  0  0  0
+ 14 15  2  0  0  0  0
+ 14 16  1  0  0  0  0
+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
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+ 18 33  1  0  0  0  0
+ 19 34  1  0  0  0  0
+ 20 35  1  0  0  0  0
+ 20 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 49  0  0  0  0  0  0  0  0999 V2000
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+ 26 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 14 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
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+ 21 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
+   -0.4670   -2.1270   -0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
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+ 14 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  2  0  0  0  0
+ 15 17  1  0  0  0  0
+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+ 18 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+ 18 19  1  0  0  0  0
+ 18 29  1  0  0  0  0
+ 19 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+ 12 13  1  0  0  0  0
+ 13 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+ 19 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 60 63  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 17 28  1  0  0  0  0
+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 67  0  0  0  0  0  0  0  0999 V2000
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+ 42 63  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  11   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  11   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+    2.3501    2.4845   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
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+    2.5352    7.1447   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  8  9  2  0  0  0  0
+  8 16  1  0  0  0  0
+  9 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 13 22  1  0  0  0  0
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+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+ 13 14  1  0  0  0  0
+ 13 22  1  0  0  0  0
+ 14 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+ 22 34  1  0  0  0  0
+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 72 77  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+ 19 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+ 10 18  1  0  0  0  0
+ 11 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 23  1  0  0  0  0
+ 15 24  1  0  0  0  0
+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  CHG  2  10   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+ 21 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  6  7  1  0  0  0  0
+  6  8  1  0  0  0  0
+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
+   -2.4230   -0.9750    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.2620   -0.3450   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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+  7 14  1  0  0  0  0
+  8 15  1  0  0  0  0
+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+   -2.3656    2.0811   -0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
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+    0.0309    2.0342    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  8 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  8 11  1  0  0  0  0
+ 11 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+  8 10  1  0  0  0  0
+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 22  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 12 23  1  0  0  0  0
+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+  9 18  1  0  0  0  0
+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 22  1  0  0  0  0
+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
+   -2.2930   -1.0090    0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
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+  8 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+ 14 15  2  0  0  0  0
+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+ 13 25  1  0  0  0  0
+ 14 15  2  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+  6  7  1  0  0  0  0
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+  9 10  1  0  0  0  0
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+ 13 14  1  0  0  0  0
+ 13 25  1  0  0  0  0
+ 14 15  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
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+  7  8  1  0  0  0  0
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+  9 10  1  0  0  0  0
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+ 14 15  1  0  0  0  0
+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
+   -1.9060   -2.0660    0.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
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+  5  6  2  0  0  0  0
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+  9 10  1  0  0  0  0
+  9 18  1  0  0  0  0
+ 10 11  2  0  0  0  0
+ 10 19  1  0  0  0  0
+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+ 13 24  1  0  0  0  0
+ 14 15  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+ 11 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8 10  1  0  0  0  0
+  8 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  7  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+  6 13  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  1  0  0  0  0  0999 V2000
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+ 17 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  2  0  0  0  0
+ 13 21  1  0  0  0  0
+ 14 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 15 23  1  0  0  0  0
+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
+   -2.0370   -0.0110    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
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+  5 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 28  1  0  0  0  0
+ 16 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 19 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+  7  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
+   -2.2920   -0.9690   -0.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
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+ 12 21  1  0  0  0  0
+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+ 10 11  1  0  0  0  0
+ 11 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 13 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 24  1  0  0  0  0
+ 13 25  1  0  0  0  0
+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+ 26 28  1  0  0  0  0
+M  CHG  4  17   1  19  -1  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 10 16  1  0  0  0  0
+M  END
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+0
+
+$$$$
+
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
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+$$$$
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+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+ 29 48  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+  7 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+ 12 21  1  0  0  0  0
+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 14  1  0  0  0  0
+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0  0  0  0
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+ 15 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0  0  0  0
+ 12 25  1  0  0  0  0
+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  1  0  0  0  0  0999 V2000
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+ 10 24  1  1  0  0  0
+ 11 12  1  0  0  0  0
+ 12 25  1  0  0  0  0
+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 15 16  1  0  0  0  0
+ 15 29  1  0  0  0  0
+ 15 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+ 15 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 56 59  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 19  1  0  0  0  0
+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+ 23 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+ 15 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1   9   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 41 40  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 19  0  0  0  0  0  0  0  0999 V2000
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+  9 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 19 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  7  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812323D
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+
+$$$$
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+$$$$
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+ 15 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 19 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 62 64  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  1  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 22  0  0  1  0  0  0  0  0999 V2000
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+ 13 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  10   1  12  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 27  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+$$$$
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
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+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+ 17 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  7 10  1  0  0  0  0
+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 18 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 51 53  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 17 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 57 59  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 41 43  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+ 15 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 46 48  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 52  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+
+$$$$
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+$$$$
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+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+$$$$
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+$$$$
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+ 71 70  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 51 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 43 44  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1  25   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 29 29  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 37 38  0  0  1  0  0  0  0  0999 V2000
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+ 17 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 63 65  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  13   1  14  -1  17   1  18  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+$$$$
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+ 43 78  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 24  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 46 49  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   9   1  11  -1  22   1  24  -1  33   1  35  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
+
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 48 49  0  0  0  0  0  0  0  0999 V2000
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+ 25 48  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 65 69  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+0
+
+$$$$
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 71 71  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+ 11 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+  7 14  1  0  0  0  0
+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 29  0  0  1  0  0  0  0  0999 V2000
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+ 14 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+  5 10  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+$$$$
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+ 19 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
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+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
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+
+$$$$
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+ 30 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 44  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 46 47  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+$$$$
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+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  CHG  2   6   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   6   1  30  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 19 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 48 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+
+$$$$
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+M  END
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+$$$$
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+ 23 43  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  7 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  7 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+ 42 46  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 48 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 53 56  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 62 65  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 57 63  0  0  1  0  0  0  0  0999 V2000
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+ 27 57  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 64 67  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  13   1  15  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
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+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+ 20 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
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+M  CHG  1   6   1
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+0
+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  CHG  2  30   1  31   1
+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+> <Activity>
+1
+
+$$$$
+
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+$$$$
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 46 48  0  0  1  0  0  0  0  0999 V2000
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+ 23 46  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 44  0  0  1  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812323D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+ 20 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  18   1  20  -1  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+ 22 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8  15   1  17  -1  18   1  20  -1  21   1  23  -1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  4  15   1  17  -1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6  15   1  17  -1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+ 22 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812323D
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+$$$$
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+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+1
+
+$$$$
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+
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812323D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+  9 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+0
+
+$$$$
+
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+
+$$$$
+
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+1
+
+$$$$
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+1
+
+$$$$
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+1
+
+$$$$
+
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+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 56 59  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+
+$$$$
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+ OpenBabel09061812323D
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+ 17 37  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+ 19 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+ 11 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 41  0  0  1  0  0  0  0  0999 V2000
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+ 20 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+ 19 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+127129  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812323D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 45 47  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 24 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+ 46 45  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 53 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
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+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8 14  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+  8  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   4   1   6  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   7   1   9  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 31  0  0  1  0  0  0  0  0999 V2000
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+ 17 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 40 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
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+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 23 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+ 18 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 27  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 39  0  0  0  0  0  0  0  0999 V2000
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+ 23 35  1  0  0  0  0
+ 23 36  1  0  0  0  0
+ 23 37  1  0  0  0  0
+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+  8  9  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  7 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+  9 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+  9 22  1  0  0  0  0
+ 10 23  1  0  0  0  0
+ 10 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 39 39  0  0  0  0  0  0  0  0999 V2000
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+ 15 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
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+  9 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  1  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 19  0  0  1  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+ 13 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+  9 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+  7  8  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  1  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  1  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  1  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+ 10 24  1  0  0  0  0
+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+  7 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  0  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 38 37  0  0  1  0  0  0  0  0999 V2000
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+ 22 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 13 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 27 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 47 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ 21 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 25 27  0  0  1  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+ 12 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+ 17 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 30 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 15 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812323D
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 32 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+  8 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 56  0  0  0  0  0  0  0  0999 V2000
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+ 32 52  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812323D
+
+ 52 56  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
+   -3.0760    0.0120   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
+
+ 27 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
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+$$$$
+
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+ 38 41  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
+
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+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
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+ 14 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 24 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 11 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  13   1  15  -1  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 19  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 55 58  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 54 58  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 66 69  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  3  32   1  33   1  34   1
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 47 51  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 53  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+  9  8  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ OpenBabel09061812333D
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+0
+
+$$$$
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+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+ 41 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 32  0  0  0  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 51 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 56 56  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 15 13  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 16 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+> <Activity>
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+
+$$$$
+
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+
+ 43 43  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+> <Activity>
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+
+$$$$
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+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+ 16 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 15 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  1   7   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 23  0  0  1  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 18  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1  11   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 20  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+ 64 67  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 25 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  3  14   1  15   1  16   1
+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
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+$$$$
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+M  CHG  3  21   1  22   1  23   2
+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  4  21   1  22   1  23   1  24   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ OpenBabel09061812333D
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+  9 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 18 15  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  11   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 56 58  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 57 58  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1  31   1
+M  END
+> <Activity>
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+
+$$$$
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+ 15 14  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+
+$$$$
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+
+$$$$
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+ 30 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 15 15  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  4  13   1  15  -1  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 26  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+ 13 11  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+ 14 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+ 17 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 51  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
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+$$$$
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+ OpenBabel09061812333D
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 16 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 16 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 14 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+ 11 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 15 21  1  0  0  0  0
+M  CHG  4   6   1   7  -1  10   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  41   1  70   1
+M  END
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+ 31 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+M  END
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+
+$$$$
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 57 59  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  1  11   1
+M  END
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+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+$$$$
+
+ OpenBabel09061812333D
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+ 38 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+0
+
+$$$$
+
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+0
+
+$$$$
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+$$$$
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+ 40 41  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 76 79  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 60 60  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+ 41 41  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 44 44  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 38  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 51 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+$$$$
+
+ OpenBabel09061812333D
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+ 70 74  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812333D
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+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 42 47  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+  9  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
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+
+$$$$
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+ 20 21  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 45  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 40 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
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+
+$$$$
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 41 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+> <Activity>
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 41 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 41 45  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 25 40  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  18  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+1
+
+$$$$
+
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 42 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+ 22 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 44 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 70 73  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812333D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 69  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 45 47  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2  22   1  24  -1
+M  END
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+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2   5   1  10  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+
+$$$$
+
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+ 38 67  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 68 72  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 45 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
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+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 52 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+ 13 14  3  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+  3  6  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   4   1   6  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 58 61  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ 45 48  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 15  1  0  0  0  0
+ 14 24  1  0  0  0  0
+ 15 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 41  0  0  1  0  0  0  0  0999 V2000
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+ 17 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 31  1  0  0  0  0
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+1
+
+$$$$
+
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+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+ 97176  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+
+$$$$
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+
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+0
+
+$$$$
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+M  END
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+
+$$$$
+
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+0
+
+$$$$
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+
+$$$$
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+1
+
+$$$$
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+0
+
+$$$$
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+
+$$$$
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+$$$$
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+ 55 57  0  0  0  0  0  0  0  0999 V2000
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+ 30 55  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 72 76  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 34  0  0  0  0  0  0  0  0999 V2000
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+ 13 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 57 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+  9 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+ 10 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+  9 10  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 22  0  0  0  0  0  0  0  0999 V2000
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+  8 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+ 10 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ OpenBabel09061812333D
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+ 35 35  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+ 14 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 44 45  0  0  0  0  0  0  0  0999 V2000
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+ 27 44  1  0  0  0  0
+M  CHG  4  19   1  21  -1  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 55  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+ 21 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 41 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+ 22 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 43 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 48 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 19  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 56 56  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 60 62  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+ 12 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 44 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 22 42  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
+
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+
+$$$$
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
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+0
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+
+$$$$
+
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+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 31 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+
+ 60 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 14 29  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  12   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 50  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  28   1  30  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+ 18 33  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  7  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+ 21 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 21  0  0  0  0  0  0  0  0999 V2000
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+  9 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+  4 12  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 11  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 13 12  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 13 12  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 20 20  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 21 20  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 21 21  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+  3  4  1  0  0  0  0
+  3 13  1  0  0  0  0
+  3 20  1  6  0  0  0
+  3  2  1  0  0  0  0
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+  5  6  1  0  0  0  0
+  5 11  1  0  0  0  0
+  5 21  1  1  0  0  0
+  6  7  1  0  0  0  0
+  6 22  1  0  0  0  0
+  6 23  1  0  0  0  0
+  7  8  2  0  0  0  0
+  8  9  1  0  0  0  0
+  8 10  1  0  0  0  0
+  9 24  1  0  0  0  0
+  9 25  1  0  0  0  0
+  9 26  1  0  0  0  0
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+ 13 29  1  1  0  0  0
+ 14 30  1  0  0  0  0
+ 15 31  1  0  0  0  0
+ 16 32  1  0  0  0  0
+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 58 61  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 34  0  0  1  0  0  0  0  0999 V2000
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+ 19 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+106107  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ 21 18  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+ 18 17  0  0  1  0  0  0  0  0999 V2000
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+  8 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 12 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 47  0  0  1  0  0  0  0  0999 V2000
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+ 23 47  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  1  0  0  0  0  0999 V2000
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+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 54 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 11  0  0  1  0  0  0  0  0999 V2000
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+    0.6159   -4.6298   -2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
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+  4 11  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+132135  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 55 56  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 83 87  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
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+M  CHG  1  40   1
+M  END
+> <Activity>
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+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+
+$$$$
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+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 33 35  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 43 46  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  25   1  27  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 30 31  0  0  1  0  0  0  0  0999 V2000
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+ 17 18  2  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 35  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 44 47  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+ 19 32  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
+
+ 33 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 64 68  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 41  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 86 93  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+0
+
+$$$$
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 25 24  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   9   1  11  -1  12   1  14  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+ 21 36  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+ 23 40  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 43 45  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  27   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 50  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 51 51  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 51 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  21   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  9 10  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 36  0  0  1  0  0  0  0  0999 V2000
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+ 18 34  1  0  0  0  0
+ 19 35  1  0  0  0  0
+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+1
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+ 23 40  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+ 21 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  22   1  27  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+ 19 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 31 31  0  0  1  0  0  0  0  0999 V2000
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+ 13 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  10   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 53  0  0  0  0  0  0  0  0999 V2000
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+ 29 49  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  6  5  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 10 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 13 15  1  0  0  0  0
+M  CHG  4  10   1  12  -1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 10 12  1  0  0  0  0
+M  CHG  2  10   1  12  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   6   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+0
+
+$$$$
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+ 19 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  CHG  2   9   1  11  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+ 18 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 16 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 12 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+ 12 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 76 79  0  0  0  0  0  0  0  0999 V2000
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+ 30 76  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 34  0  0  1  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+ 18 19  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 76 79  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+ 12 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 51 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 64 63  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  CHG  1  20   1
+M  END
+> <Activity>
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+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  CHG  1  13   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 26 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 34 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  1  26   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+1
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+$$$$
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+ 41 44  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2  63   1  64   1
+M  END
+> <Activity>
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+$$$$
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+$$$$
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+M  END
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+1
+
+$$$$
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 41 41  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
+
+ 44 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 49 50  0  0  1  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 43 44  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 45 46  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  16   1  18  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 40 41  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+
+$$$$
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+ 30 29  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ 15 15  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+   -0.4929   -0.5489   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.9324   -1.3844   -3.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
+    3.0487    0.2746   -4.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.0615    2.4320   -5.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8366    3.3728   -3.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0538    1.9095   -1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1 11  1  0  0  0  0
+  2  3  1  0  0  0  0
+  2  9  1  0  0  0  0
+  2 12  1  6  0  0  0
+  3  4  1  0  0  0  0
+  3  8  2  0  0  0  0
+  4  5  2  0  0  0  0
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+  7 16  1  0  0  0  0
+  8 17  1  0  0  0  0
+  9 10  3  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 24  0  0  1  0  0  0  0  0999 V2000
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+   -0.5145    1.0311   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
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+   -0.6059    2.7371   -2.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
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+  9  2  1  0  0  0  0
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+ 10 21  1  0  0  0  0
+ 11 22  1  0  0  0  0
+ 11 23  1  0  0  0  0
+ 11 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 40  0  0  1  0  0  0  0  0999 V2000
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+ 17 36  1  0  0  0  0
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+ 18 38  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  1  0  0  0  0  0999 V2000
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+   -0.4854    3.5082   -0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1 10  1  0  0  0  0
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+  7 16  1  1  0  0  0
+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 42 47  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 39  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 42 47  0  0  1  0  0  0  0  0999 V2000
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+ 26 42  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 39  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 44  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 38  0  0  1  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 10 18  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 30  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 14 14  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812333D
+
+ 11 11  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ OpenBabel09061812333D
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+ 14 14  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 63 67  0  0  1  0  0  0  0  0999 V2000
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+ 36 63  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 35  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 40  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  25   1  26   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 38  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  24   1  25   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 37 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  1  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+ 16 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 60 60  0  0  1  0  0  0  0  0999 V2000
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+ 27 60  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 73 74  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 15  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  1  11   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 15  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  11   1  12   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 35  0  0  1  0  0  0  0  0999 V2000
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+ 17 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 43  0  0  1  0  0  0  0  0999 V2000
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+ 24 39  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+ 22 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  1  0  0  0  0  0999 V2000
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+ 12 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 50  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 45 47  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 72 77  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+$$$$
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+ 67 70  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 70 73  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 44  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 50 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 64 68  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+
+$$$$
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+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+1
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+$$$$
+
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+ 36 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+
+$$$$
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+ 39 43  0  0  1  0  0  0  0  0999 V2000
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+ 24 39  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  1   8   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  1   7   1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
+
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+ 20 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+  9 15  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  11   1  13  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 40  0  0  0  0  0  0  0  0999 V2000
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+ 23 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 33 37  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
+
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
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+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  CHG  1   9   1
+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+ 21 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 19 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+ 12 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2   5   1   7  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 41 45  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 37  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
+
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+$$$$
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+M  CHG  2  20   1  21   1
+M  END
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+0
+
+$$$$
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+M  END
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+
+$$$$
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 17 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 26 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+  9 19  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+  8 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 50 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+ 11 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   8   1  10  -1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 19 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 18 26  1  0  0  0  0
+ 18 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 18 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 50 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 53  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 50 54  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2  52   1  53   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2  48   1  50  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+0
+
+$$$$
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+ OpenBabel09061812333D
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 72 76  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 36 39  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 54 90  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 34  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+ 20 30  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 16 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  CHG  2  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 39 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
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+$$$$
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+ 49 53  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 39 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  26   1  27   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
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+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+ 20 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+$$$$
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
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+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 38 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
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+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
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+M  END
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+
+$$$$
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  CHG  2  18   1  20  -1
+M  END
+> <Activity>
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 18 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 17  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+ 23 37  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+  7  8  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+ 16 25  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+1
+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 33 36  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  1  12   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+  7  8  1  0  0  0  0
+  7  9  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+ 11 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+ 10 11  2  0  0  0  0
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+ 13 21  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+ 10 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+ 14 18  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+$$$$
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+$$$$
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+
+$$$$
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+$$$$
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+1
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+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 68 71  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 18 20  1  0  0  0  0
+ 20 35  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+  8 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 25  0  0  1  0  0  0  0  0999 V2000
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 18  0  0  1  0  0  0  0  0999 V2000
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+ 10 19  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   8   1  10  -1
+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 13  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+
+$$$$
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+
+$$$$
+
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+M  END
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+
+$$$$
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+$$$$
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+1
+
+$$$$
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+
+$$$$
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+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 14  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 14  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 37 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+1
+
+$$$$
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+ 40 43  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  10   1  12  -1  20   1  22  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 47 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+M  END
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+0
+
+$$$$
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+
+  3  1  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+ OpenBabel09061812333D
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+
+$$$$
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+
+ 17 10  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+  5  4  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  3   1  -1   2   1   8  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8   1  -1   2   1   7   1   9  -1  13   1  15  -1  20   1  22  -1
+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8   1  -1   2   1  11   1  13  -1  14   1  16  -1  20   1  22  -1
+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
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+0
+
+$$$$
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
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+
+$$$$
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+
+$$$$
+
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+$$$$
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+
+$$$$
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+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 13 12  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  7  6  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 21 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 24 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 13  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+M  CHG  6   1  -1   2   1   8   1  10  -1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8   1  -1   2   1   9   1  11  -1  14   1  16  -1  19   1  21  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1   8   1  10  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 11 10  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  14   1  16  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 15  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+
+$$$$
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+ 14 13  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  6   1  -1   2   1   8   1  10  -1  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 38 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 35 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+$$$$
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+M  END
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+0
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 35 37  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2  26   1  28  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1   7   1   9  -1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 23 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1   7   1   9  -1  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 40 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4  26   1  28  -1  29   1  31  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  16   1  18  -1  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+$$$$
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+M  CHG  4   1  -1   2   1  23   1  25  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 45 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  5   1  -1   2   1  28   1  30  -1  31   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  16   1  18  -1  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  8   1  -1   2   1  16   1  18  -1  19   1  21  -1  22   1  24  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  16   1  18  -1  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  16   1  18  -1  19   1  21  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  12   1  14  -1  15   1  17  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  CHG  4   1  -1   2   1  25   1  27  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+1
+
+$$$$
+
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+
+$$$$
+
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 32 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
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+$$$$
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+M  END
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+
+$$$$
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+M  END
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+1
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+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+
+$$$$
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+1
+
+$$$$
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+ 32 35  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1   7   1  14  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  13   1  15  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+ 14 22  1  0  0  0  0
+M  CHG  4   1  -1   2   1  11   1  13  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+
+$$$$
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+
+$$$$
+
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+$$$$
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+ 55 58  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+M  END
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+$$$$
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+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
+
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ 39 42  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 23 24  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 20 21  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
+
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 25 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  16   1  18  -1
+M  END
+> <Activity>
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+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+ 21 21  0  0  0  0  0  0  0  0999 V2000
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+ 24 24  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 30 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 33  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 28 29  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 26 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 43  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 46  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 41  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 46 49  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 42 45  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+1
+
+$$$$
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+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+
+$$$$
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+ 44 47  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  14   1  16  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  13   1  15  -1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  14   1  16  -1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
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+
+$$$$
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+1
+
+$$$$
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 52  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  30   1  32  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+ 17 24  1  0  0  0  0
+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 33  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 40  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 29 33  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 40 44  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  19   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 37  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  24   1  26  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+0
+
+$$$$
+
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+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  16   1  18  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  CHG  6   1  -1   2   1  12   1  20   1  22  -1  23  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  12   1  20   1  22  -1  23  -1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+
+$$$$
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+M  END
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+
+$$$$
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+
+$$$$
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+M  END
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+1
+
+$$$$
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+M  END
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+1
+
+$$$$
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+1
+
+$$$$
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  18   1  20  -1  21   1  23  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  12   1  14  -1  17   1  19  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 17 26  1  0  0  0  0
+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  14   1  16  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  18   1  20  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 29 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 27 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 19  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 18  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
+
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+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  4   1  -1   2   1  10   1  12  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+0
+
+$$$$
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+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
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+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 53 54  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 17 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+1
+
+$$$$
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+ 22 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
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+1
+
+$$$$
+
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 25 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 21 22  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  6   1  -1   2   1  17   1  19  -1  20   1  22  -1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 25  0  0  1  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 16  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+ 15 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+0
+
+$$$$
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+ 27 28  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
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+ 34 30  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  7   1  -1   2   1   7  -1   8   1  13  -1  14   1  19   3
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 14  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 19 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 19 21  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
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+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 49 53  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+
+$$$$
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+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
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+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+0
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+$$$$
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
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+M  CHG  2   1  -1   2   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 14  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 36  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  3   1  -1  12  -1  23   2
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10  8  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   1  -1   6   1
+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 40 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 22 25  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+$$$$
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+ 33 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 22 34  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
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+
+$$$$
+
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+ 35 40  0  0  1  0  0  0  0  0999 V2000
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+1
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+$$$$
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+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 40  0  0  1  0  0  0  0  0999 V2000
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+ 21 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
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+
+$$$$
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+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+> <Activity>
+1
+
+$$$$
+
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+ 36 42  0  0  0  0  0  0  0  0999 V2000
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+ 24 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+M  CHG  2   4   1  11   1
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 39 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 24  0  0  0  0  0  0  0  0999 V2000
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+ 11 12  2  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 39 43  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 30  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+0
+
+$$$$
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+ 33 35  0  0  1  0  0  0  0  0999 V2000
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+ 16 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 23  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 36  0  0  0  0  0  0  0  0999 V2000
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+ 18 19  1  0  0  0  0
+ 18 33  1  0  0  0  0
+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 24  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 25  1  0  0  0  0
+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 27  0  0  0  0  0  0  0  0999 V2000
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+ 14 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+$$$$
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+$$$$
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+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 19 34  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 35  0  0  1  0  0  0  0  0999 V2000
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+ 17 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 32  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 33  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 32 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
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+$$$$
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+M  END
+> <Activity>
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+
+$$$$
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+M  END
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+
+$$$$
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+$$$$
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+$$$$
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+
+$$$$
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 34 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+ 20 32  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 41  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 38 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 43  0  0  1  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 37 42  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 32 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
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+ 31 35  0  0  1  0  0  0  0  0999 V2000
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+ 18 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+> <Activity>
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+$$$$
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+ 40 46  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+
+$$$$
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+$$$$
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 28  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 29  0  0  1  0  0  0  0  0999 V2000
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+ 15 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 25 28  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 38  0  0  0  0  0  0  0  0999 V2000
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+ 21 33  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+ 14 22  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  0  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 31  0  0  1  0  0  0  0  0999 V2000
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+ 15 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  1  0  0  0  0  0999 V2000
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+ 15 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  1  0  0  0  0  0999 V2000
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+ 13 14  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  0  0  0  0  0  0999 V2000
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 28  0  0  1  0  0  0  0  0999 V2000
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+ 13 26  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 42  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 38 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+M  END
+> <Activity>
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+ 18 30  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 39  0  0  0  0  0  0  0  0999 V2000
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+$$$$
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+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+ 19 31  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 34 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 38 43  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+$$$$
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+
+$$$$
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+ 29 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
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+$$$$
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+ 34 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+
+$$$$
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+
+$$$$
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+ 17 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 48 52  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 27 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 14 27  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+ 22 36  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 30 33  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 24 26  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ 31 34  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 34 38  0  0  0  0  0  0  0  0999 V2000
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+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  1  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
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+ OpenBabel09061812333D
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+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 33 38  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 32 36  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 33 38  0  0  1  0  0  0  0  0999 V2000
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+ 19 32  1  6  0  0  0
+ 20 21  1  0  0  0  0
+ 21 33  1  1  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 36 40  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 22 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 19  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+ 14 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+ 10 16  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 31 35  0  0  0  0  0  0  0  0999 V2000
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+ 20 31  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
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+ 22 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 17 18  0  0  0  0  0  0  0  0999 V2000
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+ 10 17  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 16 17  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+ 13 21  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
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+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 19 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 19 22  0  0  1  0  0  0  0  0999 V2000
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+ 11 19  1  6  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 26 29  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 17 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 28 31  0  0  0  0  0  0  0  0999 V2000
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+ 18 28  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 22 24  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 12 12  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
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+ OpenBabel09061812333D
+
+ 11 11  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+  9  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 18 20  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
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+ 18 20  0  0  1  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
+
+ OpenBabel09061812333D
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+ 20 22  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
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+ 26 29  0  0  0  0  0  0  0  0999 V2000
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+M  END
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+1
+
+$$$$
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+ 13 22  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
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+M  END
+> <Activity>
+0
+
+$$$$
+
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+
+  9  9  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
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+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+  8  8  0  0  0  0  0  0  0  0999 V2000
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+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 21 23  0  0  0  0  0  0  0  0999 V2000
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+ 14 21  1  0  0  0  0
+M  END
+> <Activity>
+0,1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+ 11 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
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+
+ 20 21  0  0  0  0  0  0  0  0999 V2000
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+  1  2  1  0  0  0  0
+  1  6  2  0  0  0  0
+  2  3  2  0  0  0  0
+  2 13  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 14  1  0  0  0  0
+  4  5  2  0  0  0  0
+  4  7  1  0  0  0  0
+  5  6  1  0  0  0  0
+  5 15  1  0  0  0  0
+  6 16  1  0  0  0  0
+  7  8  1  0  0  0  0
+  7 12  2  0  0  0  0
+  8  9  2  0  0  0  0
+  8 17  1  0  0  0  0
+  9 10  1  0  0  0  0
+  9 18  1  0  0  0  0
+ 10 11  2  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 19  1  0  0  0  0
+ 12 20  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 35 39  0  0  0  0  0  0  0  0999 V2000
+    1.0651   -0.0628    0.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.4579   -0.0628    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.1780    1.0307   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6182    1.0307   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.3383   -0.0628    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.3687   -1.1203    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.7785   -0.0628    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.4986    1.0307   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.7785    2.1242   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.3383    2.1242   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.4986    3.2176   -1.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.7785    4.3111   -2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.3383    4.3111   -2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6182    5.4046   -2.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.1780    5.4046   -2.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
+    8.9388    3.2176   -1.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    9.6589    2.1242   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
+   15.4197    4.3111   -2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
+   13.9795    4.3111   -2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
+   13.2594    3.2176   -1.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
+   11.8192    3.2176   -1.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
+   11.0991    2.1242   -1.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.9929   -0.8752    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.6430    1.8431   -1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.7013   -1.1203    0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.3135   -0.8752    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.8033    2.9366   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.3135    5.1235   -2.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.8033    3.4987   -1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
+    5.1532    6.2169   -3.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.6430    4.5922   -2.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
+   13.4445    5.1235   -2.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
+   13.7944    2.4052   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
+   11.2842    4.0300   -2.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
+   11.6341    1.3118   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  6  2  0  0  0  0
+  2  3  2  0  0  0  0
+  2 23  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 24  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4 10  2  0  0  0  0
+  5  6  1  0  0  0  0
+  5  7  2  0  0  0  0
+  6 25  1  0  0  0  0
+  7  8  1  0  0  0  0
+  7 26  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 18  2  0  0  0  0
+  9 10  1  0  0  0  0
+  9 11  2  0  0  0  0
+ 10 27  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 16  1  0  0  0  0
+ 12 13  2  0  0  0  0
+ 12 28  1  0  0  0  0
+ 13 14  1  0  0  0  0
+ 13 29  1  0  0  0  0
+ 14 15  2  0  0  0  0
+ 14 30  1  0  0  0  0
+ 15 16  1  0  0  0  0
+ 15 31  1  0  0  0  0
+ 16 17  2  0  0  0  0
+ 17 18  1  0  0  0  0
+ 17 22  1  0  0  0  0
+ 18 19  1  0  0  0  0
+ 19 20  2  0  0  0  0
+ 19 32  1  0  0  0  0
+ 20 21  1  0  0  0  0
+ 20 33  1  0  0  0  0
+ 21 22  2  0  0  0  0
+ 21 34  1  0  0  0  0
+ 22 35  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 29 32  0  0  0  0  0  0  0  0999 V2000
+    0.9287   -0.0694   -0.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.3215   -0.0694   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.0416    0.8633   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.4818    0.8633   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.2019   -0.0694   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.2322   -0.9714    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6421   -0.0694   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.3622    0.8633   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6421    1.7960   -1.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.2019    1.7960   -1.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.3622    2.7287   -2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6421    3.6614   -3.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.2019    3.6614   -3.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.4818    4.5941   -4.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.0416    4.5941   -4.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
+    8.8024    2.7287   -2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
+    9.5225    1.7960   -1.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
+    8.8024    0.8633   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.8565   -0.7623    0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.5066    1.5563   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.8378   -0.9714    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.1771   -0.7623    0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6669    2.4890   -2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.1771    4.3544   -3.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6669    2.9685   -2.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
+    5.0168    5.2871   -4.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.5066    3.9012   -3.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
+   10.5925    1.7960   -1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
+    9.3374    0.1704   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  6  2  0  0  0  0
+  2  3  2  0  0  0  0
+  2 19  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 20  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4 10  2  0  0  0  0
+  5  6  1  0  0  0  0
+  5  7  2  0  0  0  0
+  6 21  1  0  0  0  0
+  7  8  1  0  0  0  0
+  7 22  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 18  2  0  0  0  0
+  9 10  1  0  0  0  0
+  9 11  2  0  0  0  0
+ 10 23  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 16  1  0  0  0  0
+ 12 13  2  0  0  0  0
+ 12 24  1  0  0  0  0
+ 13 14  1  0  0  0  0
+ 13 25  1  0  0  0  0
+ 14 15  2  0  0  0  0
+ 14 26  1  0  0  0  0
+ 15 16  1  0  0  0  0
+ 15 27  1  0  0  0  0
+ 16 17  2  0  0  0  0
+ 17 18  1  0  0  0  0
+ 17 28  1  0  0  0  0
+ 18 29  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 15 16  0  0  0  0  0  0  0  0999 V2000
+    0.9417    0.0807    0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.3345    0.0807    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.0546   -0.7396   -0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.4948   -0.7396   -0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
+    5.2149    0.0807    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.2453    0.8741    0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6551    0.0807    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
+    7.3515   -0.7126   -0.8996 N   0  0  0  0  0  0  0  0  0  0  0  0
+    6.6788   -1.4790   -1.7773 N   0  0  0  0  0  0  0  0  0  0  0  0
+    5.2149   -1.5599   -1.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.8695    0.6902    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.5196   -1.3491   -1.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.8247    0.8741    0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
+    7.1901    0.6902    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.6799   -2.1694   -2.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  6  2  0  0  0  0
+  2  3  2  0  0  0  0
+  2 11  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 12  1  0  0  0  0
+  4  5  1  0  0  0  0
+  4 10  2  0  0  0  0
+  5  6  1  0  0  0  0
+  5  7  2  0  0  0  0
+  6 13  1  0  0  0  0
+  7  8  1  0  0  0  0
+  7 14  1  0  0  0  0
+  8  9  2  0  0  0  0
+  9 10  1  0  0  0  0
+ 10 15  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 10 10  0  0  0  0  0  0  0  0999 V2000
+   -1.3890    0.0920   -0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.6050    1.1720    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.7680    1.0840   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.3960   -0.0830   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
+    0.6080   -1.1580    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.7790   -1.1080   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.0602    2.1403    0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.3459    1.9845   -0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.0745   -2.1209    0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.3548   -2.0098   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  6  2  0  0  0  0
+  2  3  2  0  0  0  0
+  2  7  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3  8  1  0  0  0  0
+  4  5  2  0  0  0  0
+  5  6  1  0  0  0  0
+  5  9  1  0  0  0  0
+  6 10  1  0  0  0  0
+M  END
+> <Activity>
+0
+
+$$$$
+
+ OpenBabel09061812333D
+
+ 23 25  0  0  1  0  0  0  0  0999 V2000
+    2.0960    0.7760    0.0070 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.6590   -0.8430    0.0210 S   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.0410   -0.5280   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.2380    0.8530   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.0370    1.5350   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.5530    1.3510    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.5930    0.4650    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.3760   -0.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.1080   -1.4230   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.9242    0.9567    0.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.0162    0.0492    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -4.9865   -0.7990   -1.1594 C   0  0  1  0  0  0  0  0  0  0  0  0
+   -5.9797   -2.5484   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -6.0786   -1.7065   -1.1453 O   0  0  0  0  0  0  0  0  0  0  0  0
+    1.1068    2.6027   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.7348    2.4047    0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.2146   -1.5705   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.9424   -2.4801   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -4.9417   -0.5852    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.9346    0.5969    0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.0611   -0.1645   -2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -6.0006   -1.9514    0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -6.8026   -3.2322    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  5  2  0  0  0  0
+  2  3  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3  9  2  0  0  0  0
+  4  5  1  0  0  0  0
+  4  6  2  0  0  0  0
+  5 15  1  0  0  0  0
+  6  7  1  0  0  0  0
+  6 16  1  0  0  0  0
+  7  8  2  0  0  0  0
+  7 10  1  0  0  0  0
+  8  9  1  0  0  0  0
+  8 17  1  0  0  0  0
+  9 18  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 19  1  0  0  0  0
+ 11 20  1  0  0  0  0
+ 12 13  1  0  0  0  0
+ 12 14  1  0  0  0  0
+ 12 21  1  6  0  0  0
+ 13 14  1  0  0  0  0
+ 13 22  1  0  0  0  0
+ 13 23  1  0  0  0  0
+M  END
+> <Activity>
+1
+
+$$$$
diff --git a/scripts/export-sdf.rb b/scripts/export-sdf.rb
new file mode 100755
index 0000000..c2e75e7
--- /dev/null
+++ b/scripts/export-sdf.rb
@@ -0,0 +1,6 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.find File.read(ARGV[0]).chomp
+dataset.to_sdf
diff --git a/scripts/import-csv.rb b/scripts/import-csv.rb
new file mode 100755
index 0000000..255e342
--- /dev/null
+++ b/scripts/import-csv.rb
@@ -0,0 +1,8 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.from_csv_file ARGV[0]
+puts dataset.id.to_s
+
+