fragmenstein/demo/mac1_mols/mac-x0344.mol
mac-x0344
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
1.7120 13.6970 -4.5620 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 12.8950 -3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5750 13.1020 -2.5090 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4000 11.7220 -4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 10.8500 -3.4690 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 11.6960 -5.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8100 10.6790 -6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 10.3320 -5.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8600 9.4020 -6.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5170 8.7970 -7.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3320 9.1260 -7.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4880 10.0740 -7.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
M END