fragmenstein/demo/test_mols/transtoluene2.mol
transtoluene
PyMOL2.3 3D 0
7 7 0 0 0 0 0 0 0 0999 V2000
-3.8002 0.1514 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3270 0.4327 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1462 -0.7139 -1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6193 -0.9951 -1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4463 -0.5624 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9196 -0.8437 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
M END
$$$$