@MOLECULE FDBD00730 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.5250 -0.2791 0.9377 S.2 1 UNK -0.0934 2 O 5.5337 0.5578 0.5904 O.co2 1 UNK -0.5492 3 O1 3.6615 0.2582 1.8320 O.co2 1 UNK -0.5492 4 O2 -2.4725 -2.2513 0.2297 O.2 1 UNK -0.2861 5 C 3.4882 0.0704 -0.5973 C.3 1 UNK 0.0208 6 C1 2.0371 -0.2301 -0.4273 C.ar 1 UNK -0.0390 7 C2 1.1909 0.7187 0.1466 C.ar 1 UNK -0.0573 8 C3 1.5261 -1.4598 -0.8430 C.ar 1 UNK -0.0573 9 C4 -0.6772 -0.7913 -0.1108 C.ar 1 UNK 0.0228 10 C5 3.7735 1.2807 -1.5095 C.3 1 UNK -0.0532 11 C6 -0.1662 0.4382 0.3049 C.ar 1 UNK -0.0506 12 C7 0.1688 -1.7403 -0.6847 C.ar 1 UNK -0.0506 13 C8 4.2078 0.2965 0.7370 C.2 1 UNK 0.0489 14 C9 -2.0922 -1.0841 0.0545 C.2 1 UNK 0.1997 15 C10 -3.1395 -0.0190 0.0222 C.ar 1 UNK 0.0594 16 C11 -3.0898 1.1274 -0.6630 C.ar 1 UNK -0.0438 17 C12 -4.2793 1.8781 -0.4356 C.ar 1 UNK -0.0540 18 C13 -5.1458 1.2289 0.4161 C.ar 1 UNK -0.0236 19 H 3.8715 -0.8095 -1.0704 H 1 UNK 0.0406 20 H1 1.5690 1.6284 0.4541 H 1 UNK 0.0621 21 H2 2.1521 -2.1619 -1.2676 H 1 UNK 0.0621 22 H3 3.3959 2.1703 -1.0502 H 1 UNK 0.0239 23 H4 3.2934 1.1359 -2.4547 H 1 UNK 0.0239 24 H5 4.8291 1.3756 -1.6564 H 1 UNK 0.0239 25 H6 -0.7922 1.1402 0.7295 H 1 UNK 0.0625 26 H7 -0.2094 -2.6499 -0.9922 H 1 UNK 0.0625 27 H8 -2.3071 1.4244 -1.2664 H 1 UNK 0.0630 28 H9 -4.4694 2.7998 -0.8591 H 1 UNK 0.0623 29 H10 -6.0613 1.6070 0.7057 H 1 UNK 0.0693 @BOND 1 1 15 ar 2 1 18 ar 3 2 13 ar 4 3 13 ar 5 4 14 2 6 5 6 1 7 5 10 1 8 5 13 1 9 6 7 ar 10 6 8 ar 11 7 11 ar 12 8 12 ar 13 9 11 ar 14 9 12 ar 15 9 14 1 16 14 15 1 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 5 19 1 21 7 20 1 22 8 21 1 23 10 22 1 24 10 23 1 25 10 24 1 26 11 25 1 27 12 26 1 28 16 27 1 29 17 28 1 30 18 29 1