fragmenstein/demo/test_mols/mac-x0138.mol
mac-x0138
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
-1.1230 15.0350 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 15.0810 -2.3370 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4380 15.2320 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0390 15.2380 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0960 15.0470 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 14.9260 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3060 15.0140 1.7720 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9730 14.7050 1.5590 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8420 14.6170 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3420 14.4170 1.6660 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7560 14.7110 -0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9100 14.9350 -1.0570 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
4 5 1 0
5 6 1 0
6 7 1 0
6 8 2 0
8 9 1 0
9 10 1 0
9 11 2 0
2 12 1 0
5 12 2 0
11 12 1 0
M END