fragmenstein/demo/mac1_mols/diamond-x1092_B.mol
RDKit 3D
18 21 0 0 0 0 0 0 0 0999 V2000
-9.0830 35.3840 6.7700 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.0730 34.3240 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2380 34.1740 10.7320 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9820 35.3860 7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5390 36.6020 10.2710 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8180 34.4980 8.8090 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3120 34.4220 9.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7750 35.8490 9.2640 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7960 36.5640 7.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1370 36.3970 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7550 37.1200 6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4060 38.2480 5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2800 38.7370 4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4880 38.1100 4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8480 36.9710 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9720 36.4860 5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6310 35.8790 10.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5650 35.1730 9.9710 C 0 0 2 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
1 16 1 0
6 4 1 6
4 10 2 0
16 11 2 0
16 15 1 0
18 3 1 1
18 6 1 0
18 17 1 0
6 7 1 0
10 9 1 0
10 11 1 0
5 8 1 0
5 17 1 0
8 7 1 0
8 9 1 6
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
M END