fragmenstein/demo/mac1_mols/diamond-x0142_A.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
14.7820 6.9580 12.1250 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3370 12.1910 15.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6190 11.9740 14.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
15.3090 10.7550 13.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9170 5.1490 10.7890 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8180 7.2390 9.8430 O 0 0 0 0 0 0 0 0 0 0 0 0
15.6970 10.5530 12.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8750 2.6250 7.4560 N 0 0 0 0 0 0 0 0 0 0 0 0
15.5200 9.3110 11.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9320 8.2740 12.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8200 6.5110 10.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9500 4.3300 9.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7140 2.9750 9.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6820 2.1730 8.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1310 3.9310 7.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1790 4.8190 8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5260 8.4920 13.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7150 9.7260 14.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 11 1 0
10 9 2 0
10 17 1 0
11 5 1 0
11 6 2 0
2 3 1 0
3 4 1 0
4 7 2 0
4 18 1 0
7 9 1 0
18 17 2 0
5 12 1 0
12 13 2 0
12 16 1 0
8 14 2 0
8 15 1 0
14 13 1 0
15 16 2 0
M END