fragmenstein/demo/mac1_mols/mac-x0163.mol
mac-x0163
RDKit 3D
16 18 0 0 0 0 0 0 0 0999 V2000
-3.8390 15.2150 -1.5340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 15.3930 1.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4590 15.0590 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3860 14.9500 1.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2770 14.6230 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1590 14.4880 -0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 14.5800 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9660 14.3530 -2.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 13.6800 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2130 12.8500 -4.0310 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9250 11.9120 -3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 12.7630 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 14.1840 -3.4990 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1560 15.0240 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 14.0480 -4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 14.9120 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 1 0
8 9 1 0
10 9 1 1
10 11 1 0
11 12 1 0
8 13 1 0
13 12 1 6
13 14 1 0
10 15 1 0
14 15 1 0
1 16 1 0
3 16 1 0
7 16 2 0
M END