fragmenstein/demo/mac1_mols/mac-x0159.mol
mac-x0159
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
-4.1590 15.4870 1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2900 15.2490 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9210 15.0530 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1570 15.0530 1.2610 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 14.7520 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1340 14.6900 -0.4610 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 14.8360 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 14.8610 -2.1080 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 14.6060 -3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3060 15.8360 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9720 16.2990 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 17.7090 -4.8760 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.4750 17.6310 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 18.5970 -6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1200 16.6100 -4.7920 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9270 15.0810 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 15.2290 -1.2770 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
3 7 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
13 15 2 0
8 16 1 0
2 17 1 0
16 17 2 0
M END