fragmenstein/demo/mac1_mols/mac-x0137.mol
mac-x0137
RDKit 3D
16 18 0 0 0 0 0 0 0 0999 V2000
-1.7310 13.3410 -4.4760 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8230 12.2210 -4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 12.0680 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4100 13.4240 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7850 14.2180 -2.4670 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4470 14.6180 -3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0600 14.5600 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0330 14.4870 -0.3030 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1650 14.6480 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2410 15.0010 1.4820 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3180 15.1020 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5380 15.4450 1.0700 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2890 15.5440 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5560 15.2010 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2830 14.9470 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7630 12.9990 -3.7960 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
1 6 1 0
5 6 1 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
7 15 1 0
11 15 2 0
14 15 1 0
1 16 1 1
M END