@MOLECULE FDBF01326 5 4 0 0 0 SMALL GASTEIGER @ATOM 1 S1 3.8480 1.8240 -0.4350 S.3 1 FRG1 -0.1090 2 C2 3.7200 0.4380 0.6470 C.2 1 FRG1 0.1735 3 O3 4.5700 0.1590 1.4840 O.2 1 FRG1 -0.2891 4 H 2.7564 1.8691 -1.2450 H 1 FRG1 0.1096 5 H 2.8882 -0.1681 0.5716 H 1 FRG1 0.1150 @BOND 1 1 2 1 2 2 3 2 3 1 4 1 4 2 5 1