fragmenstein/demo/mac1_mols/diamond-x0591_A.mol
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
-5.8310 14.5730 0.8250 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7360 14.5730 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4550 14.8430 -0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2620 14.7340 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 15.6240 -4.7620 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8430 13.2890 -5.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2280 14.7870 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0790 15.1270 -6.1700 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5580 15.3930 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6830 15.3610 -3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4640 14.7160 -3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1080 14.1260 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9900 14.1750 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 14.6260 -5.0230 S 0 0 2 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
4 3 2 0
4 7 1 0
7 9 2 0
7 13 1 0
14 5 1 1
14 6 2 0
14 8 2 0
14 11 1 0
9 10 1 0
13 12 2 0
10 11 2 0
11 12 1 0
M END