@MOLECULE FDBD00055 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5870 -1.3583 -0.3603 S.3 1 UNK -0.0897 2 S1 4.6243 -1.1509 -0.4692 S.3 1 UNK -0.0928 3 O -5.1580 -0.8719 0.3044 O.co2 1 UNK -0.5498 4 O1 -4.3517 0.9806 -0.7326 O.co2 1 UNK -0.5498 5 C 2.2370 0.2515 0.4116 C.3 1 UNK 0.0162 6 C1 0.8858 0.7830 -0.0416 C.3 1 UNK -0.0403 7 C2 3.3868 1.1796 0.0124 C.3 1 UNK -0.0305 8 C3 -0.2865 -0.1268 0.3328 C.3 1 UNK -0.0517 9 C4 -1.6758 0.3883 -0.0538 C.3 1 UNK -0.0479 10 C5 4.7201 0.4924 0.2825 C.3 1 UNK 0.0050 11 C6 -2.8114 -0.5299 0.3968 C.3 1 UNK -0.0132 12 C7 -4.1579 -0.0374 -0.0830 C.2 1 UNK 0.0417 13 H 2.1771 0.1746 1.4772 H 1 UNK 0.0421 14 H1 0.9042 0.8906 -1.1060 H 1 UNK 0.0276 15 H2 0.7315 1.7161 0.4587 H 1 UNK 0.0276 16 H3 3.3299 2.0823 0.5840 H 1 UNK 0.0284 17 H4 3.3113 1.4086 -1.0301 H 1 UNK 0.0284 18 H5 -0.2702 -0.2643 1.3938 H 1 UNK 0.0266 19 H6 -0.1446 -1.0297 -0.2236 H 1 UNK 0.0266 20 H7 -1.7182 0.4824 -1.1188 H 1 UNK 0.0269 21 H8 -1.8135 1.3268 0.4414 H 1 UNK 0.0269 22 H9 5.5187 1.0525 -0.1573 H 1 UNK 0.0385 23 H10 4.9100 0.4231 1.3332 H 1 UNK 0.0385 24 H11 -2.8191 -0.5717 1.4660 H 1 UNK 0.0325 25 H12 -2.6425 -1.4984 -0.0255 H 1 UNK 0.0325 @BOND 1 1 2 1 2 1 5 1 3 2 10 1 4 3 12 ar 5 4 12 ar 6 5 6 1 7 5 7 1 8 6 8 1 9 7 10 1 10 8 9 1 11 9 11 1 12 11 12 1 13 5 13 1 14 6 14 1 15 6 15 1 16 7 16 1 17 7 17 1 18 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1