@<TRIPOS>MOLECULE FDBF01627 14 13 0 0 0 SMALL GASTEIGER @<TRIPOS>ATOM 1 S1 3.5560 -0.3650 1.3920 S.3 1 FRG1 -0.0212 2 O2 2.7680 -1.4990 1.8370 O.3 1 FRG1 -0.2667 3 O3 4.6850 0.0760 2.1900 O.3 1 FRG1 -0.2667 4 C1 1.1600 0.6860 0.5400 C.3 1 FRG1 0.0080 5 C1 3.1080 2.1910 0.4770 C.3 1 FRG1 0.0080 6 N1 2.5090 0.9730 1.0820 N.3 1 FRG1 -0.1923 7 H 2.0557 -1.6675 1.2005 H 1 FRG1 0.2433 8 H 5.1054 0.8382 1.7620 H 1 FRG1 0.2433 9 H 0.6291 1.6044 0.3998 H 1 FRG1 0.0408 10 H 0.6240 0.0655 1.2275 H 1 FRG1 0.0408 11 H 1.2528 0.1808 -0.3987 H 1 FRG1 0.0408 12 H 2.3486 2.9327 0.3424 H 1 FRG1 0.0408 13 H 3.5374 1.9439 -0.4714 H 1 FRG1 0.0408 14 H 3.8693 2.5734 1.1244 H 1 FRG1 0.0408 @<TRIPOS>BOND 1 5 6 1 2 4 6 1 3 6 1 1 4 1 2 1 5 1 3 1 6 2 7 1 7 3 8 1 8 4 9 1 9 4 10 1 10 4 11 1 11 5 12 1 12 5 13 1 13 5 14 1