fragmenstein/demo/mac1_mols/diamond-x0548_A.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-8.6260 41.5120 -7.8480 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.4650 46.9830 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3330 45.8680 -5.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9000 44.8470 -5.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8750 44.1230 -7.7610 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.7720 43.7670 -5.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4400 42.6010 -6.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2260 42.5420 -7.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4030 41.9300 -8.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1940 43.2360 -7.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1340 44.1590 -8.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0630 43.0120 -8.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1480 45.3660 -7.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3430 43.6380 -7.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6950 44.8050 -6.5230 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