fragmenstein/demo/mac1_mols/mac-x0115.mol
mac-x0115
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
-1.5490 18.4690 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3250 17.5770 -5.5420 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0250 18.1860 -5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3990 16.3150 -4.9060 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7420 15.5480 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2730 14.3670 -3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 14.6410 -2.4840 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 14.9280 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6310 15.0100 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4990 14.8030 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6590 14.8440 1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7910 14.5950 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0540 14.4980 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 14.2120 -1.9870 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.9490 15.2240 -0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5350 15.3160 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5620 15.1280 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
10 12 1 0
7 13 1 0
12 13 1 0
13 14 2 0
9 15 1 0
15 16 1 0
8 17 1 0
16 17 2 0
M END