@MOLECULE FDBD02222 53 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6740 -0.5113 -0.7295 C.3 1 UNK 0.0818 2 O -2.0584 -1.8147 -0.9040 O.3 1 UNK -0.4656 3 C1 -2.0549 -2.6343 0.1590 C.2 1 UNK 0.3458 4 O1 -2.5499 -2.2745 1.2008 O.2 1 UNK -0.2471 5 C2 -1.4337 -4.0032 0.0530 C.3 1 UNK 0.2146 6 C3 -2.4721 -5.0627 -0.3579 C.3 1 UNK 0.0186 7 C4 -2.9399 -5.6574 0.9422 C.ar 1 UNK -0.0333 8 C5 -4.0294 -6.4687 1.1921 C.ar 1 UNK -0.0395 9 C6 -4.2519 -6.8479 2.5120 C.ar 1 UNK 0.0413 10 C7 -3.4243 -6.4336 3.5384 C.ar 1 UNK -0.0428 11 C8 -2.3189 -5.6324 3.3055 C.ar 1 UNK -0.0511 12 C9 -2.0725 -5.2569 1.9785 C.ar 1 UNK 0.0046 13 C10 -0.9554 -4.5093 1.4110 C.2 1 UNK 0.1100 14 N 0.2331 -4.2794 1.8665 N.2 1 UNK -0.1746 15 N1 1.1385 -3.5924 1.0398 N.am 1 UNK -0.1497 16 C11 0.7666 -3.1912 -0.3171 C.3 1 UNK 0.1400 17 O2 -0.2939 -3.9929 -0.8087 O.3 1 UNK -0.3353 18 C12 2.3688 -3.2980 1.5047 C.2 1 UNK 0.3397 19 O3 3.2358 -2.9271 0.7375 O.2 1 UNK -0.2496 20 N2 2.6380 -3.4148 2.8201 N.am 1 UNK -0.1580 21 C13 3.9532 -3.6521 3.2490 C.ar 1 UNK 0.0489 22 C14 5.0005 -3.5978 2.3396 C.ar 1 UNK -0.0362 23 C15 6.2943 -3.8309 2.7621 C.ar 1 UNK -0.0179 24 C16 6.5476 -4.1194 4.0951 C.ar 1 UNK 0.1301 25 C17 5.5012 -4.1742 5.0043 C.ar 1 UNK -0.0179 26 C18 4.2077 -3.9356 4.5838 C.ar 1 UNK -0.0362 27 O4 7.8217 -4.3488 4.5106 O.3 1 UNK -0.4057 28 C19 8.0094 -4.6399 5.8970 C.3 1 UNK 0.5752 29 F 7.2911 -5.7925 6.2329 F 1 UNK -0.1328 30 F1 9.3696 -4.8478 6.1498 F 1 UNK -0.1328 31 F2 7.5513 -3.5645 6.6656 F 1 UNK -0.1328 32 C20 1.6442 -3.3037 3.7238 C.2 1 UNK 0.4147 33 O5 0.5120 -3.0634 3.3550 O.2 1 UNK -0.2254 34 O6 1.9063 -3.4590 5.0349 O.3 1 UNK -0.4530 35 C21 0.8135 -3.2140 5.9591 C.3 1 UNK 0.0833 36 Cl -5.6067 -7.8692 2.8800 Cl 1 UNK -0.0835 37 H -2.6102 0.0387 -1.6451 H 1 UNK 0.0661 38 H1 -2.1637 0.0235 0.0441 H 1 UNK 0.0661 39 H2 -3.7017 -0.6356 -0.4590 H 1 UNK 0.0661 40 H3 -2.0235 -5.8117 -0.9765 H 1 UNK 0.0351 41 H4 -3.2764 -4.6444 -0.9262 H 1 UNK 0.0351 42 H5 -4.6527 -6.7807 0.4311 H 1 UNK 0.0635 43 H6 -3.6357 -6.7292 4.5043 H 1 UNK 0.0632 44 H7 -1.7040 -5.3256 4.0754 H 1 UNK 0.0625 45 H8 1.6152 -3.3003 -0.9597 H 1 UNK 0.0790 46 H9 0.4428 -2.1716 -0.2955 H 1 UNK 0.0790 47 H10 4.8122 -3.3832 1.3479 H 1 UNK 0.0637 48 H11 7.0730 -3.7905 2.0860 H 1 UNK 0.0655 49 H12 5.6895 -4.3933 5.9950 H 1 UNK 0.0655 50 H13 3.4304 -3.9681 5.2618 H 1 UNK 0.0637 51 H14 1.1523 -3.3712 6.9618 H 1 UNK 0.0661 52 H15 0.0083 -3.8854 5.7454 H 1 UNK 0.0661 53 H16 0.4746 -2.2048 5.8512 H 1 UNK 0.0661 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 13 1 6 5 17 1 7 5 6 1 8 6 7 1 9 7 12 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 9 36 1 14 10 11 ar 15 11 12 ar 16 12 13 1 17 13 14 2 18 14 15 1 19 15 16 1 20 15 18 am 21 16 17 1 22 18 19 2 23 18 20 am 24 20 21 1 25 20 32 am 26 21 26 ar 27 21 22 ar 28 22 23 ar 29 23 24 ar 30 24 25 ar 31 24 27 1 32 25 26 ar 33 27 28 1 34 28 29 1 35 28 30 1 36 28 31 1 37 32 33 2 38 32 34 1 39 34 35 1 40 1 37 1 41 1 38 1 42 1 39 1 43 6 40 1 44 6 41 1 45 8 42 1 46 10 43 1 47 11 44 1 48 16 45 1 49 16 46 1 50 22 47 1 51 23 48 1 52 25 49 1 53 26 50 1 54 35 51 1 55 35 52 1 56 35 53 1