fragmenstein/demo/mac1_mols/diamond-x0216_A.mol
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
18.0380 29.1440 6.1850 N 0 0 0 0 0 0 0 0 0 0 0 0
15.7470 29.6040 6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2040 28.0810 7.7700 O 0 0 0 0 0 0 0 0 0 0 0 0
17.1910 29.8610 7.1410 C 0 0 2 0 0 0 0 0 0 0 0 0
19.6970 27.6400 5.5970 N 0 0 0 0 0 0 0 0 0 0 0 0
22.2320 25.9900 2.8210 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5100 31.3260 7.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7870 25.2970 4.5970 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9870 28.2820 6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4270 27.7650 4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8770 26.8580 6.0130 C 0 0 2 0 0 0 0 0 0 0 0 0
22.1630 27.6630 6.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7440 27.6470 4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2190 25.5950 5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
22.6170 26.0350 4.2050 S 0 0 1 0 0 0 0 0 0 0 0 0
1 4 1 0
1 9 1 0
4 2 1 6
4 7 1 0
9 3 2 0
9 5 1 0
5 10 1 0
11 5 1 6
11 12 1 0
11 14 1 0
6 15 2 0
15 8 2 0
15 13 1 1
15 14 1 0
12 13 1 0
M END