@MOLECULE FDBD00524 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5701 0.2285 0.1841 S.3 1 UNK -0.0805 2 O 3.2889 1.0480 -1.0293 O.co2 1 UNK -0.7245 3 O1 3.2902 -1.0132 0.3996 O.2 1 UNK -0.1853 4 O2 2.3021 1.1495 1.2737 O.2 1 UNK -0.1853 5 O3 -3.1508 -0.2624 1.2118 O.2 1 UNK -0.2761 6 N -1.9399 -0.2494 -0.7776 N.am 1 UNK -0.3155 7 C 0.1802 -1.0652 0.1758 C.3 1 UNK -0.0189 8 C1 1.0530 -0.1264 -0.6460 C.3 1 UNK 0.0561 9 C2 -1.1283 -1.4086 -0.5269 C.3 1 UNK 0.0130 10 C3 -2.8879 0.2290 0.1173 C.2 1 UNK 0.2099 11 C4 -3.5777 1.4701 -0.3824 C.3 1 UNK 0.0121 12 H -1.8174 0.2307 -1.6283 H 1 UNK 0.1487 13 H1 -0.0450 -0.5949 1.1101 H 1 UNK 0.0296 14 H2 0.7236 -1.9763 0.3156 H 1 UNK 0.0296 15 H3 1.2699 -0.5865 -1.5873 H 1 UNK 0.0490 16 H4 0.5221 0.7918 -0.7873 H 1 UNK 0.0490 17 H5 -0.9027 -1.8781 -1.4616 H 1 UNK 0.0462 18 H6 -1.6818 -2.0595 0.1172 H 1 UNK 0.0462 19 H7 -4.2950 1.7956 0.3418 H 1 UNK 0.0322 20 H8 -4.0749 1.2549 -1.3051 H 1 UNK 0.0322 21 H9 -2.8536 2.2421 -0.5391 H 1 UNK 0.0322 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 8 1 5 5 10 2 6 6 9 1 7 6 10 am 8 7 8 1 9 7 9 1 10 10 11 1 11 6 12 1 12 7 13 1 13 7 14 1 14 8 15 1 15 8 16 1 16 9 17 1 17 9 18 1 18 11 19 1 19 11 20 1 20 11 21 1