fragmenstein/demo/mac1_mols/diamond-x0631_A.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
0.4850 9.7640 -7.6540 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 9.1900 -7.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9500 8.7000 -10.9410 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 8.1850 -7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6310 11.0530 -7.3950 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0600 9.6630 -13.2910 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 8.8270 -6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2350 11.5690 -8.4410 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3960 10.5460 -9.3100 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8970 10.7110 -10.5840 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6350 9.8250 -11.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9490 9.3920 -8.8410 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 10.3220 -12.6580 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7360 11.4420 -13.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6040 11.4920 -14.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3750 10.4210 -14.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
1 7 1 0
1 12 1 0
5 8 1 0
7 4 1 0
12 9 1 0
2 4 1 0
3 11 1 0
11 10 1 0
13 11 1 1
8 9 1 0
6 13 1 0
6 16 1 0
13 14 1 0
16 15 1 0
9 10 1 6
14 15 1 0
M END