@MOLECULE FDBD02238 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3782 -0.4193 0.6711 C.3 1 UNK -0.0440 2 C1 1.0550 -1.7315 0.3691 C.2 1 UNK -0.0793 3 C2 2.3035 -1.7485 -0.0272 C.2 1 UNK -0.0809 4 C3 3.0245 -0.4541 -0.3021 C.3 1 UNK -0.0033 5 C4 4.5031 -0.5370 -0.6867 C.3 1 UNK 0.0688 6 C5 5.1269 -1.9068 -0.7617 C.2 1 UNK 0.3116 7 O 5.4887 -2.3484 -1.8265 O.2 1 UNK -0.2505 8 O1 5.2805 -2.6362 0.3546 O.3 1 UNK -0.4596 9 C6 5.8888 -3.9464 0.2073 C.3 1 UNK 0.1190 10 C7 5.9786 -4.6130 1.5559 C.ar 1 UNK 0.0117 11 C8 5.5072 -3.9612 2.6806 C.ar 1 UNK -0.0084 12 C9 5.5881 -4.5718 3.9210 C.ar 1 UNK 0.1667 13 C10 6.1453 -5.8437 4.0327 C.ar 1 UNK 0.1676 14 C11 6.6157 -6.4916 2.9025 C.ar 1 UNK 0.0026 15 C12 6.5270 -5.8780 1.6654 C.ar 1 UNK 0.0510 16 Cl 7.1169 -6.6922 0.2501 Cl 1 UNK -0.0830 17 O2 6.1104 -6.2216 5.3439 O.3 1 UNK -0.4526 18 C13 5.9019 -5.0071 6.0887 C.3 1 UNK 0.2332 19 O3 5.2043 -4.1534 5.1626 O.3 1 UNK -0.4526 20 C14 3.4566 -0.1785 -1.7437 C.3 1 UNK -0.0144 21 C15 3.1235 -1.2381 -2.7959 C.3 1 UNK -0.0585 22 C16 3.4114 1.2715 -2.2298 C.3 1 UNK -0.0585 23 C17 0.2955 -3.0240 0.5229 C.3 1 UNK -0.0440 24 H 1.0667 0.3832 0.5070 H 1 UNK 0.0274 25 H1 0.0567 -0.4104 1.6916 H 1 UNK 0.0274 26 H2 -0.4693 -0.2991 0.0291 H 1 UNK 0.0274 27 H3 2.7933 -2.6484 -0.1511 H 1 UNK 0.0575 28 H4 2.4628 0.0804 0.4352 H 1 UNK 0.0356 29 H5 5.4047 -0.0846 -0.3299 H 1 UNK 0.0425 30 H6 6.8709 -3.8395 -0.2038 H 1 UNK 0.0749 31 H7 5.2912 -4.5455 -0.4476 H 1 UNK 0.0749 32 H8 5.0948 -3.0190 2.5956 H 1 UNK 0.0660 33 H9 7.0325 -7.4323 2.9830 H 1 UNK 0.0670 34 H10 6.8356 -4.5726 6.3789 H 1 UNK 0.1166 35 H11 5.3579 -5.1659 6.9963 H 1 UNK 0.1166 36 H12 3.1839 -2.2108 -2.3541 H 1 UNK 0.0235 37 H13 3.8211 -1.1696 -3.6043 H 1 UNK 0.0235 38 H14 2.1325 -1.0750 -3.1651 H 1 UNK 0.0235 39 H15 3.6586 1.9267 -1.4208 H 1 UNK 0.0235 40 H16 2.4277 1.4982 -2.5846 H 1 UNK 0.0235 41 H17 4.1163 1.4036 -3.0239 H 1 UNK 0.0235 42 H18 -0.7009 -2.8152 0.8523 H 1 UNK 0.0274 43 H19 0.7872 -3.6430 1.2441 H 1 UNK 0.0274 44 H20 0.2610 -3.5316 -0.4184 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 23 1 4 3 4 1 5 4 20 1 6 4 5 1 7 5 6 1 8 5 20 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 19 1 17 12 13 ar 18 13 14 ar 19 13 17 1 20 14 15 ar 21 15 16 1 22 17 18 1 23 18 19 1 24 20 21 1 25 20 22 1 26 1 24 1 27 1 25 1 28 1 26 1 29 3 27 1 30 4 28 1 31 5 29 1 32 9 30 1 33 9 31 1 34 11 32 1 35 14 33 1 36 18 34 1 37 18 35 1 38 21 36 1 39 21 37 1 40 21 38 1 41 22 39 1 42 22 40 1 43 22 41 1 44 23 42 1 45 23 43 1 46 23 44 1