fragmenstein/demo/mac1_mols/diamond-x0173_B.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
15.2020 17.7160 -15.8620 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0600 16.3710 -15.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0080 15.6380 -15.6050 O 0 0 0 0 0 0 0 0 0 0 0 0
16.4760 18.3580 -15.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3660 19.8340 -8.9020 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2360 14.7500 -16.3910 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6630 18.6830 -14.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8160 15.8680 -16.1350 N 0 0 0 0 0 0 0 0 0 0 0 0
15.7760 19.5200 -13.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9580 19.8490 -12.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0450 19.3330 -11.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2150 19.6290 -10.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9500 18.5040 -12.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7480 18.1810 -13.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6270 16.7300 -16.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5200 16.0220 -16.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3920 13.9150 -16.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5280 14.5040 -15.6580 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 8 1 0
4 7 1 0
8 15 1 0
8 18 1 0
7 9 2 0
7 14 1 0
5 12 3 0
12 11 1 0
6 16 1 0
6 17 1 0
16 15 1 0
17 18 1 0
9 10 1 0
14 13 2 0
10 11 2 0
11 13 1 0
M END