fragmenstein/demo/mac1_mols/diamond-x0282_A.mol
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
-3.3630 14.5800 0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4740 13.9400 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5270 14.5460 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2320 14.8020 0.9020 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5170 14.5960 -0.8240 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5280 15.1610 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2780 14.5230 1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2560 14.3610 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0070 14.2400 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2870 15.0370 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 14.6170 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1830 14.4730 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6500 14.4170 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 14.4260 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0
1 9 1 0
1 11 1 0
8 6 1 0
9 10 1 0
11 5 2 0
11 7 1 0
2 3 1 0
4 2 1 6
4 6 1 0
4 10 1 0
5 12 1 0
12 13 2 0
7 14 2 0
14 13 1 0
M END