fragmenstein/demo/mac1_mols/diamond-x0797_B.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-8.0390 29.9470 -14.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0680 26.5230 -14.8910 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7570 29.5560 -13.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4090 25.6500 -13.6750 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5390 30.0360 -14.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7250 26.8050 -10.2920 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3480 29.7820 -13.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3450 29.0400 -12.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5320 28.5350 -12.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7440 28.7730 -12.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0270 28.1650 -12.2040 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.2870 26.6840 -12.5820 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4820 26.2210 -13.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9550 25.8630 -11.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1000 28.1290 -10.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
3 5 2 0
3 10 1 0
2 13 1 0
13 4 2 0
12 13 1 6
5 7 1 0
10 9 2 0
11 10 1 1
7 8 2 0
6 14 1 0
6 15 1 0
14 12 1 0
15 11 1 0
8 9 1 0
11 12 1 0
M END