@<TRIPOS>MOLECULE FDBF02592 12 12 0 0 0 SMALL GASTEIGER @<TRIPOS>ATOM 1 O1 4.0810 -0.4330 2.1910 O.2 1 FRG1 -0.2450 2 C2 4.0070 -0.7970 1.0260 C.ar 1 FRG1 0.3437 3 N3 3.4250 -1.9780 0.5400 N.ar 1 FRG1 -0.2269 4 N4 3.5350 -2.0380 -0.8240 N.ar 1 FRG1 -0.1600 5 C5 4.1540 -0.9390 -1.1430 C.ar 1 FRG1 0.1200 6 N6 4.4750 -0.1440 -0.1000 N.ar 1 FRG1 -0.2851 7 C1 5.1640 1.1320 -0.1200 C.3 1 FRG1 0.0176 8 H 2.9981 -2.6659 1.1001 H 1 FRG1 0.1937 9 H 4.3823 -0.6936 -2.1191 H 1 FRG1 0.1048 10 H 5.4074 1.3901 -1.1295 H 1 FRG1 0.0457 11 H 6.0626 1.0612 0.4566 H 1 FRG1 0.0457 12 H 4.5304 1.8861 0.2981 H 1 FRG1 0.0457 @<TRIPOS>BOND 1 5 4 ar 2 5 6 ar 3 4 3 ar 4 7 6 1 5 6 2 ar 6 3 2 ar 7 2 1 2 8 3 8 1 9 5 9 1 10 7 10 1 11 7 11 1 12 7 12 1