fragmenstein/demo/mac1_mols/diamond-x0524_A.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
-0.4270 8.5490 -8.1850 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 9.2040 -6.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3700 10.6300 -7.3080 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9130 9.5380 -7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 8.8120 -11.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6280 8.6160 -9.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4740 9.3540 -10.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5090 9.4360 -11.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 8.7860 -10.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0090 9.6240 -12.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3300 10.8180 -13.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6230 11.5790 -14.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5960 11.1660 -15.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2750 9.9820 -14.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9820 9.2050 -13.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8640 8.0410 -9.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 7.9530 -8.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
1 6 1 0
4 2 1 0
4 3 2 0
6 7 2 0
6 17 1 0
5 9 1 0
5 10 1 0
9 8 2 0
9 16 1 0
10 11 2 0
10 15 1 0
7 8 1 0
17 16 2 0
11 12 1 0
15 14 2 0
12 13 2 0
13 14 1 0
M END