fragmenstein/demo/mac1_mols/diamond-x0796_B.mol
RDKit 3D
15 17 0 0 0 0 0 0 0 0999 V2000
12.6890 10.8550 11.4490 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9240 11.5220 12.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7060 11.5840 12.2300 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0840 10.8680 11.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7770 13.1820 14.1870 N 0 0 0 0 0 0 0 0 0 0 0 0
14.7470 11.7810 12.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1300 11.6790 12.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8320 10.6860 11.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1710 9.7910 10.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7980 9.8790 10.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9350 12.8250 13.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6170 12.1920 13.4980 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7960 12.8450 15.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8890 11.3370 15.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8580 11.0630 14.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
2 3 2 0
2 12 1 0
4 6 2 0
4 10 1 0
12 5 1 0
12 11 1 6
12 15 1 0
6 7 1 0
6 11 1 0
10 9 2 0
5 13 1 0
13 14 1 0
7 8 2 0
8 9 1 0
15 14 1 0
M END