fragmenstein/demo/mac1_mols/diamond-x0655_B.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
14.9610 30.8670 -18.1180 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9920 32.2070 -19.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2750 29.8410 -19.9840 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4170 30.8710 -19.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9300 28.0790 -13.6430 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5610 29.6930 -17.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7280 29.0620 -16.3840 C 0 0 2 0 0 0 0 0 0 0 0 0
14.7430 29.9830 -15.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2090 29.2750 -13.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7980 27.1470 -14.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3630 27.6990 -16.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2940 28.8690 -16.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9550 27.7360 -17.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6930 27.6000 -18.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7490 28.5890 -18.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0650 29.7190 -17.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3260 29.8560 -16.7210 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
7 6 1 6
5 9 1 0
5 10 1 0
9 8 1 0
10 11 1 0
7 8 1 0
7 11 1 0
7 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
17 16 2 0
14 15 2 0
15 16 1 0
M END