@<TRIPOS>MOLECULE FDBF00576 11 10 0 0 0 SMALL GASTEIGER @<TRIPOS>ATOM 1 C1 6.9210 -0.3370 0.4060 C.3 1 FRG1 0.0052 2 N1 8.0840 0.2130 1.1210 N.3 1 FRG1 -0.2027 3 S1 7.5970 1.1680 2.3490 S.3 1 FRG1 -0.0237 4 O2 6.4720 0.5450 3.0200 O.3 1 FRG1 -0.2669 5 O3 8.7640 1.5610 3.1140 O.3 1 FRG1 -0.2669 6 H 7.2575 -0.9606 -0.3958 H 1 FRG1 0.0405 7 H 6.3329 0.4651 0.0114 H 1 FRG1 0.0405 8 H 6.3271 -0.9153 1.0826 H 1 FRG1 0.0405 9 H 8.6487 0.7615 0.4724 H 1 FRG1 0.1470 10 H 5.7789 0.3453 2.3714 H 1 FRG1 0.2432 11 H 9.4202 1.9593 2.5210 H 1 FRG1 0.2432 @<TRIPOS>BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 1 6 1 6 1 7 1 7 1 8 1 8 2 9 1 9 4 10 1 10 5 11 1