@MOLECULE 71587111 30 30 1 SMALL USER_CHARGES @ATOM 1 S1 -1.7433 -0.5902 -1.6703 S.3 1 noname -0.1722 2 O1 -2.2229 2.7135 2.0468 O.2 1 noname -0.2978 3 C1 -1.8300 0.4073 2.7206 C.3 1 noname 0.0200 4 C2 -0.8615 -0.0824 -0.1854 C.3 1 noname 0.0171 5 C3 -1.3462 -1.0045 2.2947 C.3 1 noname -0.0419 6 C4 -0.8622 -1.2469 0.8403 C.3 1 noname -0.0378 7 C5 -1.3469 1.3266 0.2480 C.3 1 noname 0.0206 8 C6 -1.0916 0.8383 3.9894 C.3 1 noname -0.0373 9 C7 -1.8326 1.5775 1.7007 C.2 1 noname 0.1359 10 C8 0.6097 0.1715 -0.5198 C.3 1 noname -0.0503 11 C9 0.4133 0.8759 3.7158 C.3 1 noname -0.0621 12 C10 -1.3811 -0.1603 5.1120 C.3 1 noname -0.0621 13 H1 -2.8774 0.3069 3.0053 H 1 noname 0.0385 14 H2 -2.1062 -1.7421 2.5524 H 1 noname 0.0274 15 H3 -0.5813 -1.3202 3.0041 H 1 noname 0.0274 16 H4 -1.3911 -2.1018 0.4191 H 1 noname 0.0281 17 H5 0.1598 -1.6211 0.9008 H 1 noname 0.0281 18 H6 -2.1009 1.6830 -0.4538 H 1 noname 0.0360 19 H7 -0.5506 2.0433 0.0466 H 1 noname 0.0360 20 H8 -1.4314 1.8298 4.2886 H 1 noname 0.0304 21 H9 1.1395 0.4787 0.3819 H 1 noname 0.0244 22 H10 0.6812 0.9596 -1.2694 H 1 noname 0.0244 23 H11 1.0566 -0.7428 -0.9102 H 1 noname 0.0244 24 H12 0.9393 1.1829 4.6198 H 1 noname 0.0233 25 H13 0.6195 1.5872 2.9161 H 1 noname 0.0233 26 H14 0.7531 -0.1156 3.4167 H 1 noname 0.0233 27 H15 -0.8550 0.1467 6.0159 H 1 noname 0.0233 28 H16 -2.4532 -0.1871 5.3069 H 1 noname 0.0233 29 H17 -1.0412 -1.1518 4.8128 H 1 noname 0.0233 30 H18 -3.0253 -0.9106 -1.3489 H 1 noname 0.1027 @BOND 1 1 4 1 2 1 30 1 3 2 9 2 4 3 5 1 5 3 8 1 6 3 9 1 7 3 13 1 8 4 6 1 9 4 7 1 10 4 10 1 11 5 6 1 12 5 14 1 13 5 15 1 14 6 16 1 15 6 17 1 16 7 9 1 17 7 18 1 18 7 19 1 19 8 11 1 20 8 12 1 21 8 20 1 22 10 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 11 26 1 28 12 27 1 29 12 28 1 30 12 29 1 @SUBSTRUCTURE 1 noname 1