@MOLECULE FDBD00912 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5235 -0.6206 -1.1440 S.3 1 UNK -0.1275 2 O -3.1353 2.3591 2.0433 O.2 1 UNK -0.2734 3 O1 -6.7926 0.1641 1.1672 O.co2 1 UNK -0.5478 4 O2 -6.4209 1.6974 -0.4780 O.co2 1 UNK -0.5478 5 O3 0.6661 1.1109 -1.4367 O.2 1 UNK -0.2734 6 O4 3.8777 0.0221 2.1175 O.2 1 UNK -0.2521 7 O5 4.6190 1.1245 -1.9994 O.2 1 UNK -0.2522 8 N -3.7378 1.3741 -0.0151 N.am 1 UNK -0.2761 9 N1 -0.6079 1.1434 0.5019 N.am 1 UNK -0.2999 10 N2 2.8468 0.3202 0.0723 N.am 1 UNK -0.2836 11 N3 5.1547 0.6935 0.2910 N.am 1 UNK -0.2084 12 N4 6.7867 1.3663 -1.1582 N.am 1 UNK -0.2974 13 C -2.6802 1.1981 -1.0146 C.3 1 UNK 0.1003 14 C1 -4.3333 -0.8422 -0.7632 C.3 1 UNK 0.0366 15 C2 -4.6266 0.2661 0.2709 C.3 1 UNK 0.0807 16 C3 -1.7299 1.9062 -0.0393 C.3 1 UNK 0.1277 17 C4 -2.9475 2.0055 0.9013 C.2 1 UNK 0.2401 18 C5 -5.1124 -0.7083 -2.0787 C.3 1 UNK -0.0486 19 C6 -4.5490 -2.2338 -0.1655 C.3 1 UNK -0.0486 20 C7 -6.0221 0.8036 0.2536 C.2 1 UNK 0.0635 21 C8 0.5154 0.8040 -0.2556 C.2 1 UNK 0.2386 22 C9 1.5214 -0.0352 0.5217 C.3 1 UNK 0.1261 23 C10 1.2531 -1.5145 0.3722 C.ar 1 UNK -0.0184 24 C11 3.9461 0.3214 0.9230 C.2 1 UNK 0.3106 25 C12 0.4078 -2.1644 1.2716 C.ar 1 UNK -0.0563 26 C13 1.8503 -2.2305 -0.6654 C.ar 1 UNK -0.0563 27 C14 6.4084 0.6582 1.0286 C.3 1 UNK 0.0409 28 C15 7.4304 1.3143 0.1236 C.3 1 UNK 0.0294 29 C16 5.4165 1.0687 -1.0723 C.2 1 UNK 0.3098 30 C17 0.1598 -3.5301 1.1336 C.ar 1 UNK -0.0614 31 C18 1.6022 -3.5962 -0.8034 C.ar 1 UNK -0.0614 32 C19 0.7570 -4.2460 0.0961 C.ar 1 UNK -0.0617 33 H -0.6451 0.8556 1.4427 H 1 UNK 0.1496 34 H1 2.9766 0.5708 -0.8709 H 1 UNK 0.1513 35 H2 7.2507 1.5848 -1.9985 H 1 UNK 0.1503 36 H3 -2.6666 1.5341 -2.0304 H 1 UNK 0.0640 37 H4 -4.4845 -0.1789 1.2335 H 1 UNK 0.0576 38 H5 -1.1451 2.7451 -0.3543 H 1 UNK 0.0622 39 H6 -4.9553 0.2675 -2.4886 H 1 UNK 0.0244 40 H7 -6.1559 -0.8527 -1.8915 H 1 UNK 0.0244 41 H8 -4.7692 -1.4464 -2.7732 H 1 UNK 0.0244 42 H9 -4.0023 -2.3172 0.7505 H 1 UNK 0.0244 43 H10 -4.2044 -2.9756 -0.8553 H 1 UNK 0.0244 44 H11 -5.5912 -2.3819 0.0264 H 1 UNK 0.0244 45 H12 1.4306 0.1717 1.5676 H 1 UNK 0.0646 46 H13 -0.0341 -1.6347 2.0392 H 1 UNK 0.0621 47 H14 2.4757 -1.7498 -1.3309 H 1 UNK 0.0621 48 H15 6.6898 -0.3524 1.2392 H 1 UNK 0.0486 49 H16 6.3295 1.1628 1.9689 H 1 UNK 0.0486 50 H17 7.6665 2.2989 0.4695 H 1 UNK 0.0478 51 H18 8.3558 0.7778 0.0951 H 1 UNK 0.0478 52 H19 -0.4655 -4.0108 1.7991 H 1 UNK 0.0618 53 H20 2.0440 -4.1259 -1.5710 H 1 UNK 0.0618 54 H21 0.5735 -5.2564 -0.0060 H 1 UNK 0.0618 @BOND 1 1 13 1 2 1 14 1 3 2 17 2 4 3 20 ar 5 4 20 ar 6 5 21 2 7 6 24 2 8 7 29 2 9 8 13 1 10 8 15 1 11 8 17 am 12 9 16 1 13 9 21 am 14 10 22 1 15 10 24 am 16 11 24 am 17 11 27 1 18 11 29 am 19 12 28 1 20 12 29 am 21 13 16 1 22 14 15 1 23 14 18 1 24 14 19 1 25 15 20 1 26 16 17 1 27 21 22 1 28 22 23 1 29 23 25 ar 30 23 26 ar 31 25 30 ar 32 26 31 ar 33 27 28 1 34 30 32 ar 35 31 32 ar 36 9 33 1 37 10 34 1 38 12 35 1 39 13 36 1 40 15 37 1 41 16 38 1 42 18 39 1 43 18 40 1 44 18 41 1 45 19 42 1 46 19 43 1 47 19 44 1 48 22 45 1 49 25 46 1 50 26 47 1 51 27 48 1 52 27 49 1 53 28 50 1 54 28 51 1 55 30 52 1 56 31 53 1 57 32 54 1