diff options
Diffstat (limited to 'java/resources/smartsEvaluation/ab_unsat_carbonyl.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/ab_unsat_carbonyl.mol | 16 |
1 files changed, 16 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/ab_unsat_carbonyl.mol b/java/resources/smartsEvaluation/ab_unsat_carbonyl.mol new file mode 100644 index 0000000..67ab7fd --- /dev/null +++ b/java/resources/smartsEvaluation/ab_unsat_carbonyl.mol @@ -0,0 +1,16 @@ +ab_unsat_carbonyl + -ISIS- 2D +Used JOELib chemistry kernel (expert systems) ID is 715333816 + 6 5 0 0 0 0 0 0 0 0 1 V2000 + -0.0180 1.0970 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1070 1.7400 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2490 3.1690 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2890 3.9340 0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6340 3.7420 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3500 1.7460 -0.1600 C 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 +M END |