diff options
Diffstat (limited to 'java/resources/smartsEvaluation/pyrene-4,5-diol.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/pyrene-4,5-diol.mol | 44 |
1 files changed, 0 insertions, 44 deletions
diff --git a/java/resources/smartsEvaluation/pyrene-4,5-diol.mol b/java/resources/smartsEvaluation/pyrene-4,5-diol.mol deleted file mode 100644 index 28363fc..0000000 --- a/java/resources/smartsEvaluation/pyrene-4,5-diol.mol +++ /dev/null @@ -1,44 +0,0 @@ -pyrene-4,5-diol
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 18 21 0 0 0 0 0 0 0 0 1 V2000
- 11.0010 -19.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2430 -16.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0010 -12.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5170 -12.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2430 -8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.0010 -4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2430 -0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.7270 -0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.9690 -4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 24.4530 -4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 26.6950 -8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 24.4530 -12.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 26.6950 -16.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 24.4530 -19.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.9690 -19.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.7270 -16.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.9690 -12.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.7270 -8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 2 0 0 0 0
- 2 16 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 18 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 2 0 0 0 0
- 12 13 1 0 0 0 0
- 12 17 1 0 0 0 0
- 13 14 2 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 2 0 0 0 0
- 16 17 1 0 0 0 0
- 17 18 2 0 0 0 0
-M END
|