fragmenstein/demo/mac1_mols/mac-x0178.mol
mac-x0178
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
-0.5440 18.0320 -6.5450 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7330 17.2300 -5.7220 S 0 0 2 0 0 0 0 0 0 0 0 0
-2.7000 16.8640 -6.6460 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2780 18.1210 -4.7330 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 15.8680 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6380 14.6670 -4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1600 13.6040 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0410 13.8100 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 15.0480 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0690 16.1150 -4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5200 12.7040 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2450 12.9620 -1.6100 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2080 11.5840 -2.9350 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 2 0
2 4 2 0
2 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
5 10 1 0
9 10 2 0
8 11 1 0
11 12 2 0
11 13 1 0
M END