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Diffstat (limited to 'java/resources/smartsEvaluation/knockout65.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/knockout65.mol | 29 |
1 files changed, 0 insertions, 29 deletions
diff --git a/java/resources/smartsEvaluation/knockout65.mol b/java/resources/smartsEvaluation/knockout65.mol deleted file mode 100644 index 73d4612..0000000 --- a/java/resources/smartsEvaluation/knockout65.mol +++ /dev/null @@ -1,29 +0,0 @@ -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 -$$$$ |