fragmenstein/demo/mac1_mols/diamond-x0299_A.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
13.9340 8.2190 12.3960 N 0 0 0 0 0 0 0 0 0 0 0 0
15.8450 8.5570 16.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0170 8.5550 13.1760 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1490 7.5700 15.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4670 5.7820 11.1850 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2610 8.2720 14.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7210 6.6280 9.1380 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8230 8.3460 13.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3280 8.2730 11.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4960 6.8800 10.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7000 4.7430 10.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8140 3.3760 10.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0770 2.5570 9.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2160 3.0860 8.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1000 4.4480 7.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8520 5.2600 9.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
8 3 2 0
8 6 1 0
9 10 1 0
2 4 1 0
4 6 1 0
5 10 2 0
5 11 1 0
10 7 1 0
11 12 2 0
11 16 1 0
7 16 1 0
16 15 2 0
12 13 1 0
13 14 2 0
14 15 1 0
M END