@MOLECULE FDBD00987 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4078 1.6016 -1.9718 S.3 1 UNK -0.1310 2 S1 5.2600 -0.4368 -0.7075 S.3 1 UNK -0.1158 3 O 1.3193 0.7654 2.2628 O.2 1 UNK -0.2731 4 O1 -4.6848 0.2719 -0.5572 O.3 1 UNK -0.4603 5 O2 -1.7174 0.1295 2.9316 O.co2 1 UNK -0.5433 6 O3 -1.5411 -1.8181 1.7457 O.co2 1 UNK -0.5433 7 O4 3.9905 1.8346 1.0001 O.2 1 UNK -0.2749 8 O5 -6.1112 -1.5447 -0.5033 O.2 1 UNK -0.2512 9 N -0.3533 1.1177 0.6382 N.am 1 UNK -0.2533 10 N1 2.3387 1.8679 -0.6308 N.am 1 UNK -0.3011 11 N2 1.4566 -2.9733 -0.3408 N.ar 1 UNK -0.2632 12 C -0.1999 2.2247 -0.2881 C.3 1 UNK 0.1041 13 C1 1.2511 2.3316 0.2301 C.3 1 UNK 0.1283 14 C2 0.8140 1.2872 1.2965 C.2 1 UNK 0.2438 15 C3 -1.4303 0.2909 0.6546 C.2 1 UNK 0.0631 16 C4 -2.3072 0.2514 -0.3767 C.2 1 UNK 0.0004 17 C5 -2.1176 1.0388 -1.6714 C.3 1 UNK 0.0219 18 C6 -3.5687 -0.5781 -0.3979 C.3 1 UNK 0.1164 19 C7 -1.5654 -0.6056 1.8124 C.2 1 UNK 0.0860 20 C8 3.6341 1.6564 -0.1636 C.2 1 UNK 0.2239 21 C9 4.5866 1.1598 -1.2248 C.3 1 UNK 0.0748 22 C10 -5.9115 -0.3410 -0.5951 C.2 1 UNK 0.3043 23 C11 3.7744 -1.4267 -0.5641 C.ar 1 UNK 0.0112 24 C12 -6.9960 0.6790 -0.7664 C.3 1 UNK 0.0332 25 C13 2.9568 -1.6230 -1.6716 C.ar 1 UNK -0.0302 26 C14 3.4346 -2.0029 0.6548 C.ar 1 UNK -0.0302 27 C15 1.8196 -2.3976 -1.5089 C.ar 1 UNK 0.0286 28 C16 2.2759 -2.7605 0.7134 C.ar 1 UNK 0.0286 29 H 2.1472 1.6979 -1.5814 H 1 UNK 0.1496 30 H1 -0.8086 3.1039 -0.3237 H 1 UNK 0.0644 31 H2 1.6819 3.2871 0.4455 H 1 UNK 0.0622 32 H3 -2.4122 0.4141 -2.4886 H 1 UNK 0.0424 33 H4 -2.7168 1.9207 -1.5816 H 1 UNK 0.0424 34 H5 -3.5275 -1.2701 -1.2129 H 1 UNK 0.0746 35 H6 -3.6579 -1.1175 0.5219 H 1 UNK 0.0746 36 H7 4.0640 1.0458 -2.1515 H 1 UNK 0.0474 37 H8 5.3821 1.8633 -1.3556 H 1 UNK 0.0474 38 H9 -6.5619 1.6555 -0.8206 H 1 UNK 0.0342 39 H10 -7.6649 0.6318 0.0674 H 1 UNK 0.0342 40 H11 -7.5355 0.4780 -1.6683 H 1 UNK 0.0342 41 H12 3.1897 -1.2049 -2.5859 H 1 UNK 0.0644 42 H13 4.0267 -1.8705 1.4896 H 1 UNK 0.0644 43 H14 1.2121 -2.5441 -2.3302 H 1 UNK 0.0830 44 H15 2.0227 -3.1888 1.6176 H 1 UNK 0.0830 @BOND 1 1 12 1 2 1 17 1 3 2 21 1 4 2 23 1 5 3 14 2 6 4 18 1 7 4 22 1 8 5 19 ar 9 6 19 ar 10 7 20 2 11 8 22 2 12 9 12 1 13 9 14 am 14 9 15 1 15 10 13 1 16 10 20 am 17 11 27 ar 18 11 28 ar 19 12 13 1 20 13 14 1 21 15 16 2 22 15 19 1 23 16 17 1 24 16 18 1 25 20 21 1 26 22 24 1 27 23 25 ar 28 23 26 ar 29 25 27 ar 30 26 28 ar 31 10 29 1 32 12 30 1 33 13 31 1 34 17 32 1 35 17 33 1 36 18 34 1 37 18 35 1 38 21 36 1 39 21 37 1 40 24 38 1 41 24 39 1 42 24 40 1 43 25 41 1 44 26 42 1 45 27 43 1 46 28 44 1