diff options
Diffstat (limited to 'java/resources/test.mol')
| -rw-r--r-- | java/resources/test.mol | 66 |
1 files changed, 0 insertions, 66 deletions
diff --git a/java/resources/test.mol b/java/resources/test.mol deleted file mode 100644 index 7b8096e..0000000 --- a/java/resources/test.mol +++ /dev/null @@ -1,66 +0,0 @@ -title for test molecule 1
- TestMolecule 1
-
- 26 27 0 0 0 0 0 0 0 0 1 V2000
- 10.8454 -4.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6570 -4.2790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8454 -6.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0538 -8.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6570 -3.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6570 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.6570 -9.3566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8475 -8.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8454 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.2803 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0649 -7.6730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 8.4507 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8454 -11.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0538 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8454 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 7.8475 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8766 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 12.0158 -9.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.2221 -9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 12.0158 -3.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7061 -7.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8766 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.4105 -9.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5178 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7061 -5.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5178 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 1 0 0 0 0
- 3 1 2 0 0 0 0
- 4 6 1 0 0 0 0
- 5 2 1 0 0 0 0
- 6 3 1 0 0 0 0
- 7 4 1 0 0 0 0
- 8 4 2 0 0 0 0
- 9 7 1 0 0 0 0
- 10 16 2 0 0 0 0
- 11 10 1 0 0 0 0
- 12 5 2 0 0 0 0
- 13 9 2 0 0 0 0
- 14 6 2 0 0 0 0
- 15 5 1 0 0 0 0
- 16 14 1 0 0 0 0
- 17 11 1 0 0 0 0
- 18 9 1 0 0 0 0
- 19 18 1 0 0 0 0
- 20 15 1 0 0 0 0
- 21 17 1 0 0 0 0
- 22 17 2 0 0 0 0
- 23 19 1 0 0 0 0
- 24 21 2 0 0 0 0
- 25 22 1 0 0 0 0
- 26 25 2 0 0 0 0
- 10 8 1 0 0 0 0
- 26 24 1 0 0 0 0
-M ISO 1 1 13
-M END
-> <ID> (1111)
-1111
-
-> <Descriptor 1> (1111)
-123
-
-$$$$
\ No newline at end of file |