diff options
Diffstat (limited to 'java/resources/smartsEvaluation/di_halogen_ethyl.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/di_halogen_ethyl.mol | 42 |
1 files changed, 0 insertions, 42 deletions
diff --git a/java/resources/smartsEvaluation/di_halogen_ethyl.mol b/java/resources/smartsEvaluation/di_halogen_ethyl.mol deleted file mode 100644 index 3bee9c2..0000000 --- a/java/resources/smartsEvaluation/di_halogen_ethyl.mol +++ /dev/null @@ -1,42 +0,0 @@ -di_halogen_ethyl
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 19 18 0 0 0 0 0 0 0 0 1 V2000
- 6.2827 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3727 -9.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2720 -7.7773 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 8.0813 -11.9700 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4860 -5.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.1607 -4.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5867 -15.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.3727 -14.9593 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 14.0600 -3.2933 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 13.4647 -6.8780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5867 -17.0493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 10.7667 -10.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.4753 -17.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.4647 -15.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.9593 -16.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.8587 -15.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.1627 -13.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 16.7580 -16.7580 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 17.3533 -14.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 1 0 0 0 0
- 3 2 1 0 0 0 0
- 4 2 1 0 0 0 0
- 5 1 1 0 0 0 0
- 6 5 1 0 0 0 0
- 7 1 1 0 0 0 0
- 8 7 1 0 0 0 0
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- 11 7 1 0 0 0 0
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- 14 13 1 0 0 0 0
- 15 14 1 0 0 0 0
- 16 15 1 0 0 0 0
- 17 16 1 0 0 0 0
- 18 16 1 0 0 0 0
- 19 16 1 0 0 0 0
-M END
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