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-rw-r--r--java/resources/smartsEvaluation/knockout65.mol29
1 files changed, 29 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/knockout65.mol b/java/resources/smartsEvaluation/knockout65.mol
new file mode 100644
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--- /dev/null
+++ b/java/resources/smartsEvaluation/knockout65.mol
@@ -0,0 +1,29 @@
+knockout65
+ MOE2002 2D
+
+ 12 11 0 0 0 0 0 0 0 0 1 V2000
+ -0.6310 0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ -1.0480 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 0.1930 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ -1.0450 -0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ -1.8720 1.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ -2.3760 0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ -2.3760 1.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ -0.6380 1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 0.6100 -0.3860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 0.1080 -1.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 1.6190 -0.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ -0.6410 -1.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 1 3 2 0 0 0 0
+ 1 4 1 0 0 0 0
+ 1 2 1 0 0 0 0
+ 2 5 1 0 0 0 0
+ 2 8 2 0 0 0 0
+ 3 9 1 0 0 0 0
+ 4 12 3 0 0 0 0
+ 5 7 1 0 0 0 0
+ 5 6 1 0 0 0 0
+ 9 11 1 0 0 0 0
+ 9 10 1 0 0 0 0
+M END
+$$$$