fragmenstein/demo/mac1_mols/mac-x0380.mol
mac-x0380
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
-1.4470 14.7600 -2.7100 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6720 15.0210 -2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2260 15.2410 -3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5120 15.0520 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8460 15.0520 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5920 15.0620 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9850 15.0730 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7800 15.0830 2.1300 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1840 14.5370 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7560 14.5400 3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6830 14.0030 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4050 15.0760 -0.4150 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.6560 15.0810 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9030 15.0650 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
7 13 1 0
12 13 1 0
4 14 1 0
13 14 2 0
M END