fragmenstein/demo/mac1_mols/diamond-x0259_A.mol
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
19.8010 28.2550 6.8820 N 0 0 0 0 0 0 0 0 0 0 0 0
20.7330 28.4550 7.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8390 30.9670 6.8890 O 0 0 0 0 0 0 0 0 0 0 0 0
22.8070 28.5890 6.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0
18.3900 28.3020 7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2340 27.6290 4.7300 N 0 0 0 0 0 0 0 0 0 0 0 0
17.7410 29.6310 6.9820 C 0 0 2 0 0 0 0 0 0 0 0 0
20.8880 27.2920 3.0280 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8220 30.6040 8.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7380 31.5930 7.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2480 29.6050 6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2010 27.9930 5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6450 27.3110 3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8300 27.6430 3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5370 28.0360 5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 5 1 0
1 12 1 0
7 5 1 1
12 6 2 0
12 15 1 0
3 10 1 0
3 11 1 0
10 9 1 0
11 7 1 0
4 15 1 0
15 14 2 0
7 9 1 0
6 13 1 0
13 8 2 0
8 14 1 0
M END