@MOLECULE FDBD00977 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.9018 0.9317 -0.6541 S.O2 1 UNK 0.0001 2 F 6.4013 -3.7222 0.1278 F 1 UNK -0.2055 3 F1 -3.7862 -2.2514 2.0527 F 1 UNK -0.1659 4 F2 -5.7148 -1.4582 1.4377 F 1 UNK -0.1659 5 F3 -4.6509 -2.8540 0.1439 F 1 UNK -0.1659 6 O 2.0920 3.6428 0.4784 O.3 1 UNK -0.3780 7 O1 3.7389 2.0193 -1.1262 O.2 1 UNK -0.1693 8 O2 1.7501 0.5027 -1.4266 O.2 1 UNK -0.1693 9 O3 -0.1255 3.0255 -0.7792 O.2 1 UNK -0.2723 10 N -0.6862 1.2873 0.6856 N.am 1 UNK -0.2831 11 N1 -6.6067 -0.8544 -1.8183 N.1 1 UNK -0.1909 12 C 1.3938 2.5236 1.0242 C.3 1 UNK 0.1583 13 C1 2.3391 1.3195 0.9775 C.3 1 UNK 0.1078 14 C2 1.0476 2.8679 2.4767 C.3 1 UNK -0.0259 15 C3 0.1103 2.3173 0.1976 C.2 1 UNK 0.2503 16 C4 3.9545 -0.4682 -0.4185 C.ar 1 UNK 0.0885 17 C5 -1.9244 0.8334 0.1710 C.ar 1 UNK 0.0341 18 C6 3.4116 -1.7400 -0.4793 C.ar 1 UNK -0.0342 19 C7 5.3027 -0.2673 -0.1776 C.ar 1 UNK -0.0342 20 C8 -2.5755 -0.2156 0.7981 C.ar 1 UNK -0.0276 21 C9 4.2423 -2.8451 -0.2936 C.ar 1 UNK -0.0247 22 C10 6.1335 -1.3721 0.0081 C.ar 1 UNK -0.0247 23 C11 -2.4574 1.4483 -0.9496 C.ar 1 UNK -0.0392 24 C12 -3.7951 -0.6627 0.2899 C.ar 1 UNK 0.0739 25 C13 5.6033 -2.6610 -0.0498 C.ar 1 UNK 0.1235 26 C14 -4.3458 -0.0543 -0.8380 C.ar 1 UNK 0.0635 27 C15 -3.6771 1.0012 -1.4577 C.ar 1 UNK -0.0421 28 C16 -4.4827 -1.7977 0.9790 C.3 1 UNK 0.4187 29 C17 -5.5947 -0.4963 -1.3796 C.1 1 UNK 0.0997 30 H 2.9064 3.7934 0.9834 H 1 UNK 0.2109 31 H1 -0.3493 0.8184 1.4830 H 1 UNK 0.1549 32 H2 3.1912 1.5332 1.5884 H 1 UNK 0.0538 33 H3 1.7898 0.4725 1.3321 H 1 UNK 0.0538 34 H4 1.9497 3.0075 3.0349 H 1 UNK 0.0263 35 H5 0.4816 2.0686 2.9076 H 1 UNK 0.0263 36 H6 0.4697 3.7681 2.5019 H 1 UNK 0.0263 37 H7 2.4038 -1.8692 -0.6600 H 1 UNK 0.0637 38 H8 5.6887 0.6889 -0.1359 H 1 UNK 0.0637 39 H9 -2.1629 -0.6617 1.6323 H 1 UNK 0.0642 40 H10 3.8500 -3.7987 -0.3366 H 1 UNK 0.0647 41 H11 7.1405 -1.2360 0.1883 H 1 UNK 0.0647 42 H12 -1.9577 2.2287 -1.4037 H 1 UNK 0.0636 43 H13 -4.0847 1.4514 -2.2921 H 1 UNK 0.0631 @BOND 1 1 7 2 2 1 8 2 3 1 13 1 4 1 16 1 5 2 25 1 6 3 28 1 7 4 28 1 8 5 28 1 9 6 12 1 10 9 15 2 11 10 15 am 12 10 17 1 13 11 29 3 14 12 13 1 15 12 14 1 16 12 15 1 17 16 18 ar 18 16 19 ar 19 17 20 ar 20 17 23 ar 21 18 21 ar 22 19 22 ar 23 20 24 ar 24 21 25 ar 25 22 25 ar 26 23 27 ar 27 24 26 ar 28 24 28 1 29 26 27 ar 30 26 29 1 31 6 30 1 32 10 31 1 33 13 32 1 34 13 33 1 35 14 34 1 36 14 35 1 37 14 36 1 38 18 37 1 39 19 38 1 40 20 39 1 41 21 40 1 42 22 41 1 43 23 42 1 44 27 43 1