fragmenstein/demo/mac1_mols/diamond-x0676_B.mol
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
5.0570 7.8430 -11.0570 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 6.4350 -9.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6640 8.4630 -10.8140 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7870 7.1280 -10.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8760 8.4300 -11.4850 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8160 8.0610 -10.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3460 7.0990 -9.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9070 9.3290 -12.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0130 10.4000 -12.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 11.3120 -13.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0640 11.1590 -14.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9410 10.0920 -14.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8740 9.1750 -13.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0
1 5 1 0
4 2 1 0
4 7 1 0
5 6 1 0
5 8 1 0
3 6 2 0
6 7 1 0
8 9 2 0
8 13 1 0
9 10 1 0
13 12 2 0
10 11 2 0
11 12 1 0
M END