fragmenstein/demo/mac1_mols/diamond-x0104_A.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
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-3.4650 14.9390 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8580 14.8840 -2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2290 14.8530 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0910 14.9550 4.6330 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.9010 15.1680 2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6060 14.7660 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3360 14.9030 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0640 14.7060 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1680 14.7910 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9370 15.0280 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2910 14.9890 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3760 15.1250 6.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7580 15.0930 7.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6410 14.9480 6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8110 14.8750 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8730 14.8370 4.6140 S 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0
1 11 1 0
10 9 2 0
10 16 1 0
11 5 1 0
11 6 2 0
2 3 1 0
3 4 1 0
4 7 2 0
4 8 1 0
7 9 1 0
8 16 2 0
5 12 1 0
12 13 2 0
12 17 1 0
13 14 1 0
17 15 1 0
14 15 2 0
M END