@MOLECULE FDBD00030 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4126 -0.2308 0.9457 S.3 1 UNK -0.0869 2 S1 0.4167 -0.2255 -0.9335 S.3 1 UNK -0.0869 3 O -3.2409 -1.5942 -1.0036 O.co2 1 UNK -0.5441 4 O1 3.2471 -1.5935 1.0015 O.co2 1 UNK -0.5441 5 O2 -4.0463 -0.8876 0.9959 O.co2 1 UNK -0.5441 6 O3 4.0421 -0.8862 -1.0019 O.co2 1 UNK -0.5441 7 N -3.7666 1.6853 -0.4069 N.4 1 UNK 0.2255 8 N1 3.7656 1.6866 0.4017 N.4 1 UNK 0.2255 9 C -2.7275 0.6575 -0.3169 C.3 1 UNK 0.0259 10 C1 2.7276 0.6574 0.3168 C.3 1 UNK 0.0259 11 C2 -1.7150 1.0301 0.7677 C.3 1 UNK 0.0522 12 C3 1.7095 1.0285 -0.7631 C.3 1 UNK 0.0522 13 C4 -3.4158 -0.6642 -0.0311 C.2 1 UNK 0.0902 14 C5 3.4162 -0.6634 0.0279 C.2 1 UNK 0.0902 15 H -3.3350 2.5893 -0.5991 H 1 UNK 0.2001 16 H1 -4.2756 1.7324 0.4758 H 1 UNK 0.2001 17 H2 -4.4130 1.4502 -1.1601 H 1 UNK 0.2001 18 H3 3.3336 2.5900 0.5958 H 1 UNK 0.2001 19 H4 4.2703 1.7343 -0.4834 H 1 UNK 0.2001 20 H5 4.4160 1.4525 1.1518 H 1 UNK 0.2001 21 H6 -2.1787 0.5761 -1.2318 H 1 UNK 0.0923 22 H7 2.1833 0.5753 1.2344 H 1 UNK 0.0923 23 H8 -1.2596 1.9633 0.5095 H 1 UNK 0.0444 24 H9 -2.2378 1.0996 1.6987 H 1 UNK 0.0444 25 H10 1.2542 1.9612 -0.5030 H 1 UNK 0.0444 26 H11 2.2278 1.0984 -1.6966 H 1 UNK 0.0444 @BOND 1 1 2 1 2 1 11 1 3 2 12 1 4 3 13 ar 5 4 14 ar 6 5 13 ar 7 6 14 ar 8 7 9 1 9 8 10 1 10 9 11 1 11 9 13 1 12 10 12 1 13 10 14 1 14 7 15 1 15 7 16 1 16 7 17 1 17 8 18 1 18 8 19 1 19 8 20 1 20 9 21 1 21 10 22 1 22 11 23 1 23 11 24 1 24 12 25 1 25 12 26 1