fragmenstein/demo/mac1_mols/diamond-x0729_A.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
20.2560 27.3500 7.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
20.2450 25.6580 5.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9800 26.7650 8.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
19.8600 27.0670 6.1300 C 0 0 2 0 0 0 0 0 0 0 0 0
20.1610 27.4240 2.7380 N 0 0 0 0 0 0 0 0 0 0 0 0
19.2800 28.3950 9.5240 O 0 0 0 0 0 0 0 0 0 0 0 0
19.8440 25.8870 9.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7060 27.5270 7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2400 28.6570 6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9520 28.4030 5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4550 28.1590 5.2110 C 0 0 1 0 0 0 0 0 0 0 0 0
20.2630 27.7450 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2280 27.1810 8.7760 S 0 0 2 0 0 0 0 0 0 0 0 0
1 4 1 0
1 8 1 0
1 13 1 0
4 2 1 6
4 11 1 0
8 9 1 0
13 3 2 0
13 6 2 0
13 7 1 1
11 10 1 0
11 12 1 6
5 12 3 0
9 10 1 0
M END