1 2 3 4 5 6 7 8 9 10 11 12 13
@<TRIPOS>MOLECULE Simple MOL2 3 3 1 0 0 SMALL NO_CHARGES @<TRIPOS>ATOM 1 C1 0.000 0.000 0.000 C.3 1 LIG 0.0 2 O1 100.000 0.000 0.000 O.2 1 LIG 0.0 3 N1 0.000 100.000 0.000 N.3 1 LIG 0.0 @<TRIPOS>BOND 1 1 2 1 2 2 3 2 3 3 1 ar