@MOLECULE FDBD00101 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0359 0.7797 -0.7482 S.O 1 UNK 0.1408 2 F 8.1347 0.7798 0.5489 F 1 UNK -0.1663 3 F1 7.0933 1.1203 -1.3296 F 1 UNK -0.1663 4 O -3.8698 -1.5346 -0.5029 O.3 1 UNK -0.4898 5 O1 6.3821 -0.5255 0.0526 O.3 1 UNK -0.4341 6 O2 -1.0568 2.2926 -0.6538 O.2 1 UNK -0.2447 7 O3 -6.5509 -0.7993 -0.5289 O.3 1 UNK -0.4913 8 N 1.7578 0.8453 -0.7953 N.ar 1 UNK -0.2290 9 N1 0.8855 -0.8884 0.2883 N.ar 1 UNK -0.2291 10 N2 -3.7116 1.6651 1.2453 N.ar 1 UNK -0.2551 11 C 2.8296 0.1189 -0.3436 C.ar 1 UNK 0.1770 12 C1 0.6196 0.2036 -0.3930 C.ar 1 UNK 0.3479 13 C2 2.2591 -0.9579 0.3296 C.ar 1 UNK 0.1738 14 C3 -1.9184 0.1430 0.7059 C.3 1 UNK 0.0808 15 C4 -3.3776 0.4935 0.6667 C.ar 1 UNK 0.0991 16 C5 4.2074 0.3056 -0.4624 C.ar 1 UNK 0.0309 17 C6 3.0976 -1.9148 0.9258 C.ar 1 UNK -0.0075 18 C7 -4.2740 -0.3671 0.0625 C.ar 1 UNK 0.1837 19 C8 5.0269 -0.6565 0.1368 C.ar 1 UNK 0.1311 20 C9 4.4840 -1.7477 0.8190 C.ar 1 UNK -0.0155 21 C10 -5.6146 0.0019 0.0507 C.ar 1 UNK 0.1647 22 C11 -6.0048 1.2015 0.6356 C.ar 1 UNK 0.0018 23 C12 -5.0235 1.9903 1.2144 C.ar 1 UNK 0.0316 24 C13 -4.4094 -2.7410 0.0021 C.3 1 UNK 0.0790 25 C14 6.9050 0.7936 -0.0274 C.3 1 UNK 0.3893 26 C15 -6.8354 -0.6020 -1.8992 C.3 1 UNK 0.0790 27 H 1.8003 1.6797 -1.3161 H 1 UNK 0.3120 28 H1 0.2416 -1.5197 0.6834 H 1 UNK 0.3120 29 H2 -1.4838 0.5653 1.5878 H 1 UNK 0.0472 30 H3 -1.8313 -0.9234 0.7087 H 1 UNK 0.0472 31 H4 4.6024 1.1141 -0.9677 H 1 UNK 0.0698 32 H5 2.7008 -2.7225 1.4310 H 1 UNK 0.0662 33 H6 5.1141 -2.4415 1.2510 H 1 UNK 0.0655 34 H7 -6.9941 1.4952 0.6386 H 1 UNK 0.0670 35 H8 -5.3119 2.8810 1.6487 H 1 UNK 0.0831 36 H9 -4.0000 -3.5687 -0.5385 H 1 UNK 0.0660 37 H10 -5.4732 -2.7314 -0.1123 H 1 UNK 0.0660 38 H11 -4.1631 -2.8354 1.0391 H 1 UNK 0.0660 39 H12 6.2371 1.4822 0.4465 H 1 UNK 0.1520 40 H13 -7.5847 -1.2989 -2.2119 H 1 UNK 0.0660 41 H14 -5.9455 -0.7535 -2.4736 H 1 UNK 0.0660 42 H15 -7.1914 0.3958 -2.0495 H 1 UNK 0.0660 @BOND 1 1 6 2 2 1 12 1 3 1 14 1 4 2 25 1 5 3 25 1 6 4 18 1 7 4 24 1 8 5 19 1 9 5 25 1 10 7 21 1 11 7 26 1 12 8 11 ar 13 8 12 ar 14 9 12 ar 15 9 13 ar 16 10 15 ar 17 10 23 ar 18 11 13 ar 19 11 16 ar 20 13 17 ar 21 14 15 1 22 15 18 ar 23 16 19 ar 24 17 20 ar 25 18 21 ar 26 19 20 ar 27 21 22 ar 28 22 23 ar 29 8 27 1 30 9 28 1 31 14 29 1 32 14 30 1 33 16 31 1 34 17 32 1 35 20 33 1 36 22 34 1 37 23 35 1 38 24 36 1 39 24 37 1 40 24 38 1 41 25 39 1 42 26 40 1 43 26 41 1 44 26 42 1