fragmenstein/demo/mac1_mols/diamond-x0496_A.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
4.7610 40.7630 -0.8300 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 42.1860 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8140 36.3150 1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6650 36.9270 -1.3740 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 41.9660 0.8700 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7910 39.5650 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3590 43.1830 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7240 37.1300 1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0620 40.6860 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2230 39.6020 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0060 38.3850 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2650 38.4130 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9540 37.1880 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0
1 10 1 0
9 5 1 0
9 6 1 0
10 11 2 0
5 2 1 6
5 7 1 0
3 13 2 0
13 8 1 0
13 12 1 0
4 11 1 0
11 12 1 0
6 12 2 0
M END