fragmenstein/demo/mac1_mols/diamond-x0159_B.mol
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
1.8010 9.0900 -9.8410 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 7.9060 -9.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 6.7860 -9.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1670 10.5140 -11.6580 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3260 5.5740 -8.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3380 8.6170 -11.5890 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1790 4.5540 -8.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 3.4440 -8.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 3.3420 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9000 4.3510 -6.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6870 5.4560 -7.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 9.3880 -11.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 10.4790 -12.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2650 11.4090 -13.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2460 11.1430 -14.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9890 9.9650 -14.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7660 9.0280 -13.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7800 9.3000 -12.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 12 1 0
2 3 1 0
12 4 2 0
12 6 1 0
3 5 1 0
5 7 2 0
5 11 1 0
4 13 1 0
13 14 2 0
13 18 1 0
7 8 1 0
11 10 2 0
6 18 1 0
18 17 2 0
8 9 2 0
9 10 1 0
14 15 1 0
15 16 2 0
16 17 1 0
M END