fragmenstein/demo/mac1_mols/mac-x0180.mol
mac-x0180
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
-8.0540 14.6060 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8880 14.7750 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1050 14.8900 -0.8890 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5430 14.8520 0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3780 14.9850 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5120 15.0390 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 15.1040 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1520 15.1380 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 15.0850 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0980 15.0020 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 15.1830 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0890 15.1700 -3.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1800 15.1710 -2.2270 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 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