@MOLECULE FDBD03160 51 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 -1.4333 -0.5336 0.0129 C.3 1 UNK -0.0533 4 C3 -1.4126 -2.0635 0.0045 C.3 1 UNK -0.0531 5 C4 -2.8479 -2.5931 0.0153 C.3 1 UNK -0.0531 6 C5 -2.8272 -4.1229 0.0069 C.3 1 UNK -0.0531 7 C6 -4.2626 -4.6525 0.0178 C.3 1 UNK -0.0531 8 C7 -4.2418 -6.1823 0.0094 C.3 1 UNK -0.0531 9 C8 -5.6772 -6.7119 0.0202 C.3 1 UNK -0.0530 10 C9 -5.6565 -8.2417 0.0118 C.3 1 UNK -0.0528 11 C10 -7.0918 -8.7713 0.0227 C.3 1 UNK -0.0491 12 C11 -7.0711 -10.3012 0.0143 C.3 1 UNK -0.0277 13 C12 -8.4849 -10.8228 0.0250 C.ar 1 UNK -0.0472 14 C13 -9.1239 -11.0631 1.2270 C.ar 1 UNK -0.0568 15 C14 -10.4207 -11.5416 1.2368 C.ar 1 UNK -0.0376 16 C15 -11.0788 -11.7793 0.0446 C.ar 1 UNK 0.0766 17 C16 -10.4401 -11.5381 -1.1574 C.ar 1 UNK -0.0376 18 C17 -9.1448 -11.0556 -1.1672 C.ar 1 UNK -0.0568 19 S -12.7314 -12.3903 0.0571 S.3 1 UNK -0.0512 20 O -12.9292 -13.0380 -1.1921 O.2 1 UNK -0.1803 21 O1 -12.9088 -13.0421 1.3073 O.2 1 UNK -0.1803 22 O2 -13.6581 -11.1829 0.0666 O.co2 1 UNK -0.7202 23 H 0.9851 1.8962 0.0028 H 1 UNK 0.0230 24 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 25 H2 -0.5362 1.8802 -0.8564 H 1 UNK 0.0230 26 H3 0.5196 -0.3586 0.8689 H 1 UNK 0.0263 27 H4 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 28 H5 -1.9508 -0.1791 -0.8540 H 1 UNK 0.0265 29 H6 -1.9341 -0.1885 0.8932 H 1 UNK 0.0265 30 H7 -0.8951 -2.4179 0.8714 H 1 UNK 0.0265 31 H8 -0.9118 -2.4086 -0.8758 H 1 UNK 0.0265 32 H9 -3.3654 -2.2387 -0.8516 H 1 UNK 0.0265 33 H10 -3.3487 -2.2480 0.8956 H 1 UNK 0.0265 34 H11 -2.3097 -4.4774 0.8737 H 1 UNK 0.0265 35 H12 -2.3264 -4.4680 -0.8735 H 1 UNK 0.0265 36 H13 -4.7801 -4.2981 -0.8491 H 1 UNK 0.0265 37 H14 -4.7634 -4.3074 0.8981 H 1 UNK 0.0265 38 H15 -3.7243 -6.5367 0.8763 H 1 UNK 0.0265 39 H16 -3.7409 -6.5274 -0.8709 H 1 UNK 0.0265 40 H17 -6.1947 -6.3574 -0.8467 H 1 UNK 0.0265 41 H18 -6.1780 -6.3668 0.9005 H 1 UNK 0.0265 42 H19 -5.1390 -8.5961 0.8786 H 1 UNK 0.0265 43 H20 -5.1557 -8.5868 -0.8686 H 1 UNK 0.0265 44 H21 -7.6093 -8.4169 -0.8441 H 1 UNK 0.0268 45 H22 -7.5926 -8.4262 0.9031 H 1 UNK 0.0268 46 H23 -6.5536 -10.6557 0.8812 H 1 UNK 0.0313 47 H24 -6.5703 -10.6463 -0.8660 H 1 UNK 0.0313 48 H25 -8.6328 -10.8853 2.1171 H 1 UNK 0.0621 49 H26 -10.8976 -11.7214 2.1342 H 1 UNK 0.0636 50 H27 -10.9304 -11.7183 -2.0475 H 1 UNK 0.0636 51 H28 -8.6704 -10.8692 -2.0645 H 1 UNK 0.0621 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 18 ar 14 13 14 ar 15 14 15 ar 16 15 16 ar 17 16 17 ar 18 16 19 1 19 17 18 ar 20 19 20 2 21 19 21 2 22 19 22 1 23 1 23 1 24 1 24 1 25 1 25 1 26 2 26 1 27 2 27 1 28 3 28 1 29 3 29 1 30 4 30 1 31 4 31 1 32 5 32 1 33 5 33 1 34 6 34 1 35 6 35 1 36 7 36 1 37 7 37 1 38 8 38 1 39 8 39 1 40 9 40 1 41 9 41 1 42 10 42 1 43 10 43 1 44 11 44 1 45 11 45 1 46 12 46 1 47 12 47 1 48 14 48 1 49 15 49 1 50 17 50 1 51 18 51 1