diff options
| author | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
| commit | 9d0d9642ac0514fabc936dd4c69af33a0360d1b7 (patch) | |
| tree | 1dcee6f7878ba3f19f0e8b2ed0f418efdd8cb1b9 /java/resources/test3.mol | |
| parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
| parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) | |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/test3.mol')
| -rw-r--r-- | java/resources/test3.mol | 66 |
1 files changed, 66 insertions, 0 deletions
diff --git a/java/resources/test3.mol b/java/resources/test3.mol new file mode 100644 index 0000000..9a68bc6 --- /dev/null +++ b/java/resources/test3.mol @@ -0,0 +1,66 @@ +
+ TestMolecule 3
+
+ 26 27 0 0 0 0 0 0 0 0 1 V2000
+ 8.0184 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.2232 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.8059 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.0184 -4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.4585 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.5858 -7.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.8059 -4.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.2232 -8.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.5858 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.3810 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.5858 -4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.8059 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.4585 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.6481 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.4585 -9.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.0184 -9.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.3810 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 3.1837 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.3810 -4.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.0184 -2.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.6481 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.8759 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.4585 -10.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.0184 -10.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.8759 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.2232 -11.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 1 0 0 0 0
+ 4 1 1 0 0 0 0
+ 5 2 1 0 0 0 0
+ 6 3 1 0 0 0 0
+ 7 4 1 0 0 0 0
+ 8 2 1 0 0 0 0
+ 9 6 1 0 0 0 0
+ 10 6 1 0 0 0 0
+ 11 7 1 0 0 0 0
+ 12 7 1 0 0 0 0
+ 13 5 2 0 0 0 0
+ 14 5 1 0 0 0 0
+ 15 8 1 0 0 0 0
+ 16 8 1 0 0 0 0
+ 17 9 1 0 0 0 0
+ 18 10 1 0 0 0 0
+ 19 11 1 0 0 0 0
+ 20 12 1 0 0 0 0
+ 21 13 1 0 0 0 0
+ 22 14 2 0 0 0 0
+ 23 15 1 0 0 0 0
+ 24 16 1 0 0 0 0
+ 25 22 1 0 0 0 0
+ 26 24 1 0 0 0 0
+ 26 23 1 0 0 0 0
+ 25 21 2 0 0 0 0
+M END
+> <ID> (1111)
+1111
+
+> <Descriptor 1> (1111)
+123
+
+$$$$
+
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