fragmenstein/demo/mac1_mols/diamond-x0128_A.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
-6.4860 14.8670 2.6480 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.7160 15.2410 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6490 15.5340 2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0220 14.8880 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7640 15.2740 4.4740 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8930 14.7550 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9220 18.0440 5.6860 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4150 14.8580 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0680 15.0570 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 15.1870 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6690 15.1120 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5830 16.0710 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7890 15.6790 6.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5540 16.4790 7.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0970 17.6460 6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1670 17.2690 4.8930 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 5 1 0
4 6 2 0
4 11 1 0
5 12 1 0
6 8 1 0
11 10 2 0
12 13 1 0
12 16 2 0
8 9 2 0
7 15 2 0
7 16 1 0
15 14 1 0
9 10 1 0
13 14 2 0
M END