@MOLECULE FDBF06441 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 N1 4.0980 0.4530 -6.5010 N.3 1 FRG1 -0.1530 2 S2 4.8210 0.9660 -7.7030 S.3 1 FRG1 -0.1294 3 C4 3.4940 1.7080 -8.6920 C.3 1 FRG1 -0.0125 4 C8 5.7080 2.4120 -7.0600 C.3 1 FRG1 -0.0125 5 S1 3.1380 -0.8910 -6.6220 S.3 1 FRG1 -0.0140 6 O2 4.0060 -1.9800 -6.9010 O.3 1 FRG1 -0.2662 7 O3 2.0490 -0.5310 -7.4600 O.3 1 FRG1 -0.2662 8 H 3.5019 1.2116 -6.1701 H 1 FRG1 0.1603 9 H 3.9049 2.1142 -9.5926 H 1 FRG1 0.0345 10 H 3.0244 2.4885 -8.1305 H 1 FRG1 0.0345 11 H 2.7699 0.9591 -8.9363 H 1 FRG1 0.0345 12 H 6.2696 2.8661 -7.8495 H 1 FRG1 0.0345 13 H 6.3731 2.1047 -6.2802 H 1 FRG1 0.0345 14 H 5.0044 3.1181 -6.6710 H 1 FRG1 0.0345 15 H 3.4865 -2.7952 -6.9813 H 1 FRG1 0.2433 16 H 1.4545 -1.2907 -7.5619 H 1 FRG1 0.2433 @BOND 1 3 2 1 2 2 4 1 3 2 1 1 4 7 5 1 5 6 5 1 6 5 1 1 7 1 8 1 8 3 9 1 9 3 10 1 10 3 11 1 11 4 12 1 12 4 13 1 13 4 14 1 14 6 15 1 15 7 16 1