@MOLECULE FDBF02585 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -1.4080 1.7270 0.1710 C.ar 1 FRG1 0.0937 2 C2 -2.1150 1.3200 -0.9610 C.ar 1 FRG1 -0.0347 3 C3 -3.2400 0.5050 -0.8250 C.ar 1 FRG1 -0.0391 4 C4 -3.6570 0.0970 0.4420 C.ar 1 FRG1 0.0270 5 C5 -2.9500 0.5040 1.5730 C.ar 1 FRG1 -0.0391 6 C6 -1.8250 1.3190 1.4380 C.ar 1 FRG1 -0.0347 7 C1 1.4260 1.7100 -0.1720 C.ar 1 FRG1 0.0936 8 C2 2.1120 1.3170 0.9620 C.ar 1 FRG1 -0.0365 9 C3 3.2350 0.5020 0.8260 C.ar 1 FRG1 -0.0599 10 C4 3.6520 0.0940 -0.4420 C.ar 1 FRG1 -0.0616 11 C5 2.9450 0.5030 -1.5730 C.ar 1 FRG1 -0.0599 12 C6 1.8220 1.3180 -1.4370 C.ar 1 FRG1 -0.0365 13 N1 -4.7930 -0.7280 0.5800 N.pl3 1 FRG1 -0.3469 14 S1 -0.0010 2.7460 0.0010 S.O2 1 FRG1 0.0251 15 O2 -0.1730 3.4780 -1.2460 O.2 1 FRG1 -0.1643 16 O3 0.2110 3.4760 1.2440 O.2 1 FRG1 -0.1643 17 C1 -5.5550 -1.1750 -0.5480 C.3 1 FRG1 -0.0024 18 H -1.8063 1.6214 -1.8985 H 1 FRG1 0.0637 19 H -3.7634 0.2042 -1.6620 H 1 FRG1 0.0637 20 H -3.2588 0.2024 2.5104 H 1 FRG1 0.0637 21 H -1.3019 1.6196 2.2753 H 1 FRG1 0.0637 22 H 1.7973 1.6226 1.8961 H 1 FRG1 0.0637 23 H 3.7580 0.2004 1.6630 H 1 FRG1 0.0618 24 H 4.4828 -0.5098 -0.5428 H 1 FRG1 0.0618 25 H 3.2534 0.2021 -2.5108 H 1 FRG1 0.0618 26 H 1.2939 1.6243 -2.2690 H 1 FRG1 0.0637 27 H -5.0717 -1.0061 1.4823 H 1 FRG1 0.1457 28 H -5.1227 -0.7873 -1.4467 H 1 FRG1 0.0425 29 H -6.5629 -0.8271 -0.4581 H 1 FRG1 0.0425 30 H -5.5485 -2.2445 -0.5816 H 1 FRG1 0.0425 @BOND 1 11 12 ar 2 11 10 ar 3 12 7 ar 4 15 14 2 5 2 3 ar 6 2 1 ar 7 3 4 ar 8 17 13 1 9 10 9 ar 10 7 14 1 11 7 8 ar 12 14 1 1 13 14 16 2 14 1 6 ar 15 4 13 1 16 4 5 ar 17 9 8 ar 18 6 5 ar 19 2 18 1 20 3 19 1 21 5 20 1 22 6 21 1 23 8 22 1 24 9 23 1 25 10 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 17 28 1 30 17 29 1 31 17 30 1