fragmenstein/demo/mac1_mols/diamond-x0574_A.mol
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
0.4840 13.9130 1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8630 14.7100 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5290 14.8890 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2090 14.8320 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 14.2920 2.0030 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9270 15.0450 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6200 15.0740 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6050 14.8440 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6930 14.2940 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 14.5950 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2040 14.6020 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8950 14.7070 -0.4120 S 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0
9 5 2 0
9 12 1 0
2 3 1 0
3 4 1 0
4 6 2 0
4 11 1 0
6 7 1 0
11 10 2 0
5 10 1 0
10 8 1 0
7 8 2 0
8 12 1 0
M END