fragmenstein/demo/mac1_mols/mac-x0142.mol
mac-x0142
RDKit 3D
17 20 0 0 0 0 0 0 0 0999 V2000
2.2700 13.3500 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 12.6530 -3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8020 13.6330 -4.2010 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2300 13.1260 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6350 13.1770 -4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0210 14.2330 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8850 14.8690 -2.8200 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4120 14.9750 -3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 14.9300 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1520 14.8590 -0.5630 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 14.8980 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 15.0410 1.3420 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 15.1470 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5910 15.3160 0.8700 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3220 15.3690 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4670 15.2240 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1800 15.0880 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 1 1 6
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
3 8 1 0
7 8 1 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
9 17 1 0
13 17 2 0
16 17 1 0
M END