@MOLECULE FDBD02262 40 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0180 -1.1779 -0.0044 C.1 1 UNK -0.1188 2 C1 0.0021 -0.0041 0.0020 C.1 1 UNK -0.1008 3 C2 -0.0179 1.4678 0.0101 C.3 1 UNK 0.0373 4 C3 1.3959 1.9894 -0.0006 C.2 1 UNK 0.0093 5 C4 2.0432 2.3457 -1.1008 C.2 1 UNK -0.0249 6 C5 1.4693 2.2843 -2.4928 C.3 1 UNK -0.0396 7 C6 3.4343 2.8218 -0.7649 C.3 1 UNK 0.1315 8 C7 3.5536 2.7016 0.7646 C.3 1 UNK 0.0512 9 C8 2.2063 2.1657 1.1994 C.2 1 UNK 0.1640 10 O 1.8654 1.9201 2.3377 O.2 1 UNK -0.2922 11 O1 3.6051 4.2037 -1.1765 O.3 1 UNK -0.4562 12 C9 4.8421 4.5855 -1.5311 C.2 1 UNK 0.3119 13 O2 5.7521 3.7913 -1.4985 O.2 1 UNK -0.2505 14 C10 5.0960 6.0048 -1.9696 C.3 1 UNK 0.0689 15 C11 5.9355 6.8900 -1.0464 C.3 1 UNK -0.0011 16 C12 6.4453 6.2760 0.2320 C.2 1 UNK -0.0499 17 C13 7.0236 7.0307 1.1379 C.2 1 UNK 0.1029 18 Cl 7.2009 8.7356 0.8629 Cl 1 UNK -0.0708 19 Cl1 7.6109 6.3234 2.6105 Cl 1 UNK -0.0708 20 C14 6.5272 6.3779 -2.3611 C.3 1 UNK -0.0143 21 C15 7.5912 5.2816 -2.2774 C.3 1 UNK -0.0585 22 C16 6.7087 7.3887 -3.4953 C.3 1 UNK -0.0585 23 H 0.0315 -2.1718 -0.0098 H 1 UNK 0.1228 24 H1 -0.5187 1.8129 0.8904 H 1 UNK 0.0447 25 H2 -0.5354 1.8223 -0.8567 H 1 UNK 0.0447 26 H3 0.4676 1.9107 -2.4494 H 1 UNK 0.0276 27 H4 2.0668 1.6336 -3.0965 H 1 UNK 0.0276 28 H5 1.4660 3.2650 -2.9208 H 1 UNK 0.0276 29 H6 4.1837 2.2468 -1.2675 H 1 UNK 0.0786 30 H7 3.7430 3.6573 1.2070 H 1 UNK 0.0385 31 H8 4.3631 2.0696 1.0648 H 1 UNK 0.0385 32 H9 4.1366 6.0918 -2.4352 H 1 UNK 0.0425 33 H10 5.8069 7.8531 -0.5983 H 1 UNK 0.0357 34 H11 6.3400 5.2625 0.3955 H 1 UNK 0.0598 35 H12 7.3711 4.6330 -1.4554 H 1 UNK 0.0235 36 H13 8.5527 5.7281 -2.1319 H 1 UNK 0.0235 37 H14 7.5939 4.7171 -3.1864 H 1 UNK 0.0235 38 H15 5.9162 8.1069 -3.4633 H 1 UNK 0.0235 39 H16 6.6891 6.8776 -4.4351 H 1 UNK 0.0235 40 H17 7.6478 7.8886 -3.3807 H 1 UNK 0.0235 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 9 1 5 4 5 2 6 5 6 1 7 5 7 1 8 7 8 1 9 7 11 1 10 8 9 1 11 9 10 2 12 11 12 1 13 12 13 2 14 12 14 1 15 14 20 1 16 14 15 1 17 15 16 1 18 15 20 1 19 16 17 2 20 17 18 1 21 17 19 1 22 20 21 1 23 20 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 6 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 14 32 1 34 15 33 1 35 16 34 1 36 21 35 1 37 21 36 1 38 21 37 1 39 22 38 1 40 22 39 1 41 22 40 1