fragmenstein/demo/mac1_mols/mac-x0582.mol
mac-x0582
RDKit 3D
15 17 0 0 0 0 0 0 0 0999 V2000
-6.1350 42.2350 -8.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0530 43.3060 -8.0420 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5090 44.6750 -7.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3780 44.8270 -8.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2550 45.9810 -7.5390 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5210 46.1780 -6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9670 46.3910 -6.2860 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.4540 46.8480 -6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3860 47.1780 -8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2720 46.1450 -8.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4060 42.8770 -7.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9090 41.6100 -7.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1630 41.5680 -7.5030 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.4400 42.7780 -6.9190 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.3910 43.5630 -7.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
5 3 1 1
5 6 1 0
5 7 1 0
7 6 1 6
7 8 1 0
8 9 1 0
5 10 1 0
9 10 1 0
2 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
11 15 2 0
14 15 1 0
M END