fragmenstein/demo/mac1_mols/mac-x0131.mol
mac-x0131
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
-3.6680 15.0920 -4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0470 15.0790 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7120 15.1480 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2100 15.3150 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7050 15.0910 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 15.1190 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7620 15.2580 1.6150 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3910 15.0280 1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 14.9330 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3680 14.8600 -0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5390 14.9470 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7580 14.9550 -2.5820 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 14.8180 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4200 13.3420 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7670 12.6300 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 11.3130 -4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9930 11.2660 -4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4370 12.5320 -3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
3 5 1 0
5 6 2 0
6 7 1 0
6 8 1 0
8 9 2 0
9 10 1 0
5 11 1 0
10 11 2 0
2 12 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
14 18 1 0
17 18 1 0
M END