@MOLECULE FDBF00362 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -1.0360 0.7800 -0.7480 S.3 1 FRG1 -0.0210 2 O2 -1.0570 2.2930 -0.6540 O.3 1 FRG1 -0.3331 3 N1 1.7580 0.8450 -0.7950 N.ar 1 FRG1 -0.3319 4 C2 2.8300 0.1190 -0.3440 C.ar 1 FRG1 0.0669 5 C3 2.2590 -0.9580 0.3300 C.ar 1 FRG1 0.0900 6 N4 0.8850 -0.8880 0.2880 N.ar 1 FRG1 -0.2209 7 C5 0.6200 0.2040 -0.3930 C.ar 1 FRG1 0.1821 8 C6 3.0980 -1.9150 0.9260 C.ar 1 FRG1 -0.0342 9 C7 4.4840 -1.7480 0.8190 C.ar 1 FRG1 -0.0596 10 C8 5.0270 -0.6560 0.1370 C.ar 1 FRG1 -0.0597 11 C9 4.2070 0.3060 -0.4620 C.ar 1 FRG1 -0.0362 12 C1 -1.9180 0.1430 0.7060 C.3 1 FRG1 0.0041 13 H -0.5929 2.6709 -1.4174 H 1 FRG1 0.2268 14 H 1.8005 1.6795 -1.3157 H 1 FRG1 0.1679 15 H 2.7014 -2.7228 1.4312 H 1 FRG1 0.0639 16 H 5.1142 -2.4421 1.2504 H 1 FRG1 0.0618 17 H 6.0523 -0.5574 0.0740 H 1 FRG1 0.0618 18 H 4.6018 1.1149 -0.9668 H 1 FRG1 0.0639 19 H -2.9517 0.4119 0.6422 H 1 FRG1 0.0358 20 H -1.4939 0.5645 1.5934 H 1 FRG1 0.0358 21 H -1.8281 -0.9227 0.7391 H 1 FRG1 0.0358 @BOND 1 3 7 ar 2 3 4 ar 3 1 2 1 4 1 7 1 5 1 12 1 6 11 4 ar 7 11 10 ar 8 7 6 ar 9 4 5 ar 10 10 9 ar 11 6 5 ar 12 5 8 ar 13 9 8 ar 14 2 13 1 15 3 14 1 16 8 15 1 17 9 16 1 18 10 17 1 19 11 18 1 20 12 19 1 21 12 20 1 22 12 21 1