@MOLECULE FDBD02261 46 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -6.6051 0.6401 -5.2519 C.3 1 UNK -0.0618 2 C1 -6.4676 -0.8703 -5.0495 C.3 1 UNK -0.0372 3 C2 -5.7237 -1.1396 -3.7669 C.2 1 UNK -0.0809 4 C3 -6.3046 -1.8060 -2.8003 C.2 1 UNK -0.0245 5 C4 -7.7565 -2.1925 -2.9181 C.3 1 UNK -0.0394 6 C5 -5.5211 -2.1863 -1.5704 C.3 1 UNK 0.1838 7 C6 -6.0750 -1.4864 -0.3999 C.1 1 UNK -0.0569 8 C7 -6.5167 -0.9281 0.5336 C.1 1 UNK -0.1152 9 O -5.6108 -3.6207 -1.3638 O.3 1 UNK -0.4436 10 C8 -4.5660 -4.2171 -0.7683 C.2 1 UNK 0.3128 11 O1 -3.6083 -3.5622 -0.4308 O.2 1 UNK -0.2504 12 C9 -4.5875 -5.7034 -0.5205 C.3 1 UNK 0.0689 13 C10 -4.2168 -6.1914 0.8814 C.3 1 UNK -0.0033 14 C11 -3.8580 -5.1489 1.9088 C.2 1 UNK -0.0809 15 C12 -3.3716 -5.5132 3.0693 C.2 1 UNK -0.0793 16 C13 -3.1709 -6.9747 3.3770 C.3 1 UNK -0.0440 17 C14 -3.0128 -4.4707 4.0967 C.3 1 UNK -0.0440 18 C15 -5.6716 -6.2487 0.4113 C.3 1 UNK -0.0144 19 C16 -6.6509 -5.2431 1.0203 C.3 1 UNK -0.0585 20 C17 -6.2555 -7.6251 0.0866 C.3 1 UNK -0.0585 21 H -7.1333 0.8313 -6.1626 H 1 UNK 0.0233 22 H1 -5.6325 1.0830 -5.3040 H 1 UNK 0.0233 23 H2 -7.1457 1.0623 -4.4307 H 1 UNK 0.0233 24 H3 -5.9270 -1.2924 -5.8707 H 1 UNK 0.0305 25 H4 -7.4403 -1.3132 -4.9974 H 1 UNK 0.0305 26 H5 -4.7566 -0.7990 -3.6501 H 1 UNK 0.0573 27 H6 -8.1447 -1.8407 -3.8511 H 1 UNK 0.0276 28 H7 -8.3089 -1.7535 -2.1137 H 1 UNK 0.0276 29 H8 -7.8468 -3.2577 -2.8732 H 1 UNK 0.0276 30 H9 -4.4961 -1.9080 -1.7003 H 1 UNK 0.0924 31 H10 -6.8907 -0.4554 1.3240 H 1 UNK 0.1229 32 H11 -4.2579 -5.9301 -1.5129 H 1 UNK 0.0425 33 H12 -3.5203 -6.9011 1.2765 H 1 UNK 0.0356 34 H13 -3.9955 -4.1480 1.6981 H 1 UNK 0.0575 35 H14 -3.4783 -7.5616 2.5368 H 1 UNK 0.0274 36 H15 -3.7554 -7.2427 4.2322 H 1 UNK 0.0274 37 H16 -2.1365 -7.1576 3.5805 H 1 UNK 0.0274 38 H17 -3.2217 -3.4971 3.7050 H 1 UNK 0.0274 39 H18 -1.9715 -4.5448 4.3314 H 1 UNK 0.0274 40 H19 -3.5905 -4.6299 4.9832 H 1 UNK 0.0274 41 H20 -6.1436 -4.3198 1.2075 H 1 UNK 0.0235 42 H21 -7.0353 -5.6318 1.9401 H 1 UNK 0.0235 43 H22 -7.4586 -5.0745 0.3391 H 1 UNK 0.0235 44 H23 -5.4918 -8.2469 -0.3318 H 1 UNK 0.0235 45 H24 -7.0532 -7.5169 -0.6183 H 1 UNK 0.0235 46 H25 -6.6299 -8.0742 0.9828 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 4 6 1 6 6 7 1 7 6 9 1 8 7 8 3 9 9 10 1 10 10 11 2 11 10 12 1 12 12 18 1 13 12 13 1 14 13 14 1 15 13 18 1 16 14 15 2 17 15 16 1 18 15 17 1 19 18 19 1 20 18 20 1 21 1 21 1 22 1 22 1 23 1 23 1 24 2 24 1 25 2 25 1 26 3 26 1 27 5 27 1 28 5 28 1 29 5 29 1 30 6 30 1 31 8 31 1 32 12 32 1 33 13 33 1 34 14 34 1 35 16 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 17 40 1 41 19 41 1 42 19 42 1 43 19 43 1 44 20 44 1 45 20 45 1 46 20 46 1