diff options
Diffstat (limited to 'java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol | 32 |
1 files changed, 0 insertions, 32 deletions
diff --git a/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol b/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol deleted file mode 100644 index 05db536..0000000 --- a/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol +++ /dev/null @@ -1,32 +0,0 @@ -ab_unsat_carbonyl_h
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 14 13 0 0 0 0 0 0 0 0 1 V2000
- 15.0105 -5.3202 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.1808 -4.7218 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.2843 -3.2566 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.2980 -2.5681 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0
- 17.6207 -2.6145 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.7424 -4.5178 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.0800 -6.3164 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
- 16.9519 -5.3483 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
- 17.7554 -2.5498 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 17.6417 -1.6981 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
- 18.3492 -3.1709 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.3575 -4.2743 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.0796 -5.0652 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.9533 -3.6845 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 2 3 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 4 2 0 0 0 0
- 7 1 1 0 0 0 0
- 8 2 1 0 0 0 0
- 9 5 1 0 0 0 0
- 10 5 1 0 0 0 0
- 11 5 1 0 0 0 0
- 12 6 1 0 0 0 0
- 13 6 1 0 0 0 0
- 14 6 1 0 0 0 0
-M END
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