fragmenstein/demo/mac1_mols/diamond-x0548_B.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-9.8660 37.7740 4.6630 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9970 34.7120 8.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3490 34.4560 8.2050 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9540 35.3280 7.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0330 39.4840 6.6870 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2240 34.9200 6.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9450 35.6760 6.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3730 36.8370 5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9400 38.7670 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8300 38.5010 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5710 39.3210 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0050 40.1340 7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7990 40.2640 6.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0900 37.2610 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3760 36.4930 6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
8 7 2 0
8 14 1 0
9 10 2 0
2 3 1 0
3 4 1 0
4 6 2 0
4 15 1 0
6 7 1 0
15 14 2 0
5 11 1 0
5 12 1 0
5 13 1 0
11 10 1 0
14 10 1 0
M END