fragmenstein/demo/mac1_mols/mac-x0123.mol
mac-x0123
RDKit 3D
13 15 0 0 0 0 0 0 0 0999 V2000
-3.7550 14.8310 1.8620 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7590 14.7450 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0650 14.6210 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7460 14.5460 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0830 13.9900 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3380 14.4550 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0070 14.5510 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6960 14.5750 -1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3620 14.6650 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7290 14.7370 -2.6330 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4020 14.8330 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2080 14.8480 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4360 14.7870 -0.4830 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
3 7 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
2 13 1 0
9 13 1 0
12 13 1 0
M END