fragmenstein/demo/mac1_mols/mac-x0179.mol
mac-x0179
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
1.3350 12.8100 -2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9610 12.1280 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 10.8660 -3.1560 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 12.8720 -4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1280 11.9180 -5.4150 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 11.4570 -6.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 11.8130 -6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0890 10.3240 -7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 9.5990 -8.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 8.6100 -8.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0550 8.4140 -7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2190 9.2580 -6.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 10.1910 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9980 11.2430 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6580 11.4390 -4.3320 O 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 1 0
6 7 2 0
6 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
8 13 1 0
12 13 2 0
5 14 1 0
13 14 1 0
14 15 2 0
M END