fragmenstein/demo/mac1_mols/mac-x0584.mol
mac-x0584
RDKit 3D
18 21 0 0 0 0 0 0 0 0999 V2000
0.8850 11.3140 -4.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4320 12.0280 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 13.1990 -3.2770 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5270 12.6870 -4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2240 14.6530 -3.4010 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6470 15.0440 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9560 15.2060 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5380 15.0870 -3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2900 14.8300 -2.6640 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3050 14.9220 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2040 14.8050 -0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 14.8750 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1550 15.0650 1.4010 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 15.1540 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5810 15.3040 1.3470 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5020 15.4350 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8700 15.2760 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4890 15.1090 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 2 1 6
1 4 1 0
3 4 1 0
3 5 1 0
5 6 1 6
6 7 1 0
7 8 1 0
5 9 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
10 18 1 0
14 18 2 0
17 18 1 0
M END