fragmenstein/demo/mac1_mols/mac-x0226.mol
mac-x0226
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
0.9610 12.5520 -1.9900 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5440 11.6540 -2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 10.6820 -2.2710 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 11.7430 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5820 12.6170 -4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5190 12.3240 -6.2270 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6780 11.3710 -6.3750 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2120 10.9360 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3230 10.8350 -7.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8130 10.0810 -7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1850 9.5620 -8.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3990 9.8270 -10.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 10.6070 -9.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0970 11.1110 -8.7050 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 1 0
5 6 2 0
6 7 1 0
4 8 2 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
9 14 1 0
13 14 2 0
M END