fragmenstein/demo/mac1_mols/mac-x0326.mol
mac-x0326
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-6.2080 15.5860 -1.5900 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 11.1180 -3.2170 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9810 12.1480 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 12.4590 -2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 12.9940 -4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8590 14.4500 -4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3150 14.6590 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 14.8390 -3.5390 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3990 15.0410 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7170 15.1600 -2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4630 15.3200 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9200 15.2840 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5990 15.1150 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8520 14.9860 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 14.7450 -1.4200 S 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
1 11 1 0
10 11 1 0
11 12 2 0
12 13 1 0
9 14 1 0
13 14 2 0
7 15 1 0
14 15 1 0
M END