fragmenstein/demo/mac1_mols/mac-x0161.mol
mac-x0161
RDKit 3D
18 20 0 0 0 0 0 0 0 0999 V2000
-4.3030 15.4700 1.2120 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4000 15.2900 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0410 15.1130 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2720 15.0290 1.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0880 14.7480 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 14.7620 -0.3190 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2480 15.0170 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7250 15.1300 -1.9340 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9240 15.0460 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 13.6000 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1730 12.8340 -4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 11.5520 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 10.3940 -5.0560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 10.4520 -5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1170 11.6100 -3.2470 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0290 12.7840 -2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 15.3030 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 15.4510 -1.0740 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
12 15 2 0
10 16 1 0
15 16 1 0
8 17 1 0
2 18 1 0
17 18 2 0
M END