fragmenstein/demo/mac1_mols/mac-x0255.mol
mac-x0255
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
1.0300 12.8190 -1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 12.3360 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3030 11.2130 -2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1620 12.8070 -4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 14.0980 -4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1780 15.3300 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1310 16.3020 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3850 17.6470 -5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 18.4400 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9490 17.8900 -5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2380 16.5890 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 15.8110 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1350 14.1490 -4.6670 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
5 13 1 0
12 13 1 0
M END