@MOLECULE FDBD00163 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.7574 0.2383 -0.7903 S.O2 1 UNK 0.0403 2 O -1.6149 -0.6971 2.7578 O.3 1 UNK -0.4932 3 O1 -7.0615 -0.2725 -1.1697 O.2 1 UNK -0.1555 4 O2 -5.5665 0.8946 0.4878 O.2 1 UNK -0.1555 5 N 0.5819 -0.2542 1.0559 N.pl3 1 UNK -0.3106 6 N1 4.2694 0.4379 -0.8128 N.ar 1 UNK -0.2466 7 N2 -4.5952 -1.0119 -1.0200 N.pl3 1 UNK -0.2208 8 C 1.8325 -0.0195 0.4222 C.ar 1 UNK 0.0500 9 C1 2.6388 -1.1024 0.0573 C.ar 1 UNK 0.0221 10 C2 2.2458 1.2923 0.1688 C.ar 1 UNK 0.0221 11 C3 3.8665 -0.8238 -0.5666 C.ar 1 UNK 0.0735 12 C4 3.4889 1.4773 -0.4595 C.ar 1 UNK 0.0735 13 C5 -0.7107 -0.4434 0.5499 C.ar 1 UNK 0.0737 14 C6 2.2483 -2.4310 0.2997 C.ar 1 UNK -0.0508 15 C7 1.4556 2.3992 0.5246 C.ar 1 UNK -0.0508 16 C8 -1.7962 -0.6625 1.4072 C.ar 1 UNK 0.1429 17 C9 -3.2837 -0.8194 -0.4901 C.ar 1 UNK 0.0512 18 C10 -0.9267 -0.4145 -0.8334 C.ar 1 UNK -0.0352 19 C11 4.6738 -1.8976 -0.9322 C.ar 1 UNK -0.0357 20 C12 3.9059 2.7810 -0.7144 C.ar 1 UNK -0.0357 21 C13 -3.0776 -0.8497 0.8891 C.ar 1 UNK 0.0043 22 C14 -2.2081 -0.6018 -1.3513 C.ar 1 UNK -0.0374 23 C15 3.0736 -3.4868 -0.0757 C.ar 1 UNK -0.0610 24 C16 1.8954 3.6925 0.2586 C.ar 1 UNK -0.0610 25 C17 4.2889 -3.2191 -0.6929 C.ar 1 UNK -0.0597 26 C18 3.1232 3.8834 -0.3622 C.ar 1 UNK -0.0597 27 C19 -5.2559 1.3717 -2.0664 C.3 1 UNK 0.0736 28 C20 -1.7344 0.5388 3.4587 C.3 1 UNK 0.0789 29 H 0.6341 -0.2908 2.0383 H 1 UNK 0.1523 30 H1 -4.8290 -1.8369 -1.5036 H 1 UNK 0.1733 31 H2 1.3444 -2.6245 0.7587 H 1 UNK 0.0625 32 H3 0.5442 2.2519 0.9857 H 1 UNK 0.0625 33 H4 -0.1332 -0.2537 -1.4733 H 1 UNK 0.0638 34 H5 5.5793 -1.7127 -1.3915 H 1 UNK 0.0639 35 H6 4.8161 2.9370 -1.1751 H 1 UNK 0.0639 36 H7 -3.8733 -1.0106 1.5263 H 1 UNK 0.0674 37 H8 -2.3605 -0.5794 -2.3717 H 1 UNK 0.0637 38 H9 2.7849 -4.4613 0.1031 H 1 UNK 0.0618 39 H10 1.3137 4.5036 0.5206 H 1 UNK 0.0618 40 H11 4.9071 -3.9960 -0.9745 H 1 UNK 0.0618 41 H12 3.4571 4.8390 -0.5632 H 1 UNK 0.0618 42 H13 -5.8980 2.2276 -2.0557 H 1 UNK 0.0482 43 H14 -5.3216 0.8883 -3.0187 H 1 UNK 0.0482 44 H15 -4.2465 1.6809 -1.8923 H 1 UNK 0.0482 45 H16 -1.5706 0.3738 4.5031 H 1 UNK 0.0660 46 H17 -2.7154 0.9395 3.3104 H 1 UNK 0.0660 47 H18 -1.0068 1.2306 3.0885 H 1 UNK 0.0660 @BOND 1 1 3 2 2 1 4 2 3 1 7 1 4 1 27 1 5 2 16 1 6 2 28 1 7 5 8 1 8 5 13 1 9 6 11 ar 10 6 12 ar 11 7 17 1 12 8 9 ar 13 8 10 ar 14 9 11 ar 15 9 14 ar 16 10 12 ar 17 10 15 ar 18 11 19 ar 19 12 20 ar 20 13 16 ar 21 13 18 ar 22 14 23 ar 23 15 24 ar 24 16 21 ar 25 17 21 ar 26 17 22 ar 27 18 22 ar 28 19 25 ar 29 20 26 ar 30 23 25 ar 31 24 26 ar 32 5 29 1 33 7 30 1 34 14 31 1 35 15 32 1 36 18 33 1 37 19 34 1 38 20 35 1 39 21 36 1 40 22 37 1 41 23 38 1 42 24 39 1 43 25 40 1 44 26 41 1 45 27 42 1 46 27 43 1 47 27 44 1 48 28 45 1 49 28 46 1 50 28 47 1