@MOLECULE FDBD02305 53 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1194 -2.0963 -5.0097 C.3 1 UNK -0.0307 2 C1 3.7119 -3.4447 -4.4124 C.3 1 UNK 0.0868 3 O 2.2882 -3.5654 -4.4359 O.3 1 UNK -0.4922 4 C2 1.7580 -4.7132 -3.9375 C.ar 1 UNK 0.1205 5 C3 2.5906 -5.7005 -3.4310 C.ar 1 UNK -0.0197 6 C4 2.0491 -6.8662 -2.9245 C.ar 1 UNK -0.0545 7 C5 0.6787 -7.0494 -2.9226 C.ar 1 UNK -0.0334 8 C6 -0.1532 -6.0671 -3.4273 C.ar 1 UNK -0.0545 9 C7 0.3829 -4.8971 -3.9293 C.ar 1 UNK -0.0197 10 C8 0.0907 -8.3222 -2.3700 C.3 1 UNK 0.1026 11 C9 -0.8396 -7.9891 -1.2019 C.3 1 UNK 0.0631 12 O1 -1.3058 -9.2004 -0.6039 O.3 1 UNK -0.3743 13 C10 -2.1868 -9.0004 0.5033 C.3 1 UNK 0.0728 14 C11 -2.6139 -10.3369 1.0532 C.ar 1 UNK -0.0185 15 C12 -3.7446 -10.9590 0.5561 C.ar 1 UNK -0.0562 16 C13 -4.1392 -12.1851 1.0583 C.ar 1 UNK -0.0580 17 C14 -3.4042 -12.7923 2.0583 C.ar 1 UNK -0.0193 18 C15 -2.2693 -12.1706 2.5584 C.ar 1 UNK 0.1288 19 C16 -1.8727 -10.9420 2.0491 C.ar 1 UNK -0.0140 20 O2 -1.5446 -12.7657 3.5418 O.3 1 UNK -0.4560 21 C17 -0.5046 -12.0730 4.0762 C.ar 1 UNK 0.1285 22 C18 -0.7139 -11.2307 5.1587 C.ar 1 UNK -0.0180 23 C19 0.3445 -10.5275 5.7003 C.ar 1 UNK -0.0399 24 C20 1.6128 -10.6624 5.1638 C.ar 1 UNK 0.0412 25 C21 1.8236 -11.5016 4.0839 C.ar 1 UNK -0.0399 26 C22 0.7691 -12.2116 3.5436 C.ar 1 UNK -0.0180 27 Cl 2.9412 -9.7771 5.8459 Cl 1 UNK -0.0835 28 C23 -0.7027 -9.0356 -3.4665 C.3 1 UNK 0.3988 29 F 0.1479 -9.3402 -4.5346 F 1 UNK -0.1700 30 F1 -1.2486 -10.2172 -2.9535 F 1 UNK -0.1700 31 F2 -1.7331 -8.2018 -3.9141 F 1 UNK -0.1700 32 H 5.1854 -2.0060 -4.9921 H 1 UNK 0.0262 33 H1 3.6849 -1.3055 -4.4346 H 1 UNK 0.0262 34 H2 3.7729 -2.0344 -6.0201 H 1 UNK 0.0262 35 H3 4.0585 -3.5065 -3.4020 H 1 UNK 0.0694 36 H4 4.1464 -4.2355 -4.9875 H 1 UNK 0.0694 37 H5 3.6136 -5.5643 -3.4326 H 1 UNK 0.0654 38 H6 2.6680 -7.6008 -2.5473 H 1 UNK 0.0622 39 H7 -1.1755 -6.2081 -3.4290 H 1 UNK 0.0622 40 H8 -0.2389 -4.1605 -4.2979 H 1 UNK 0.0654 41 H9 0.8787 -8.9599 -2.0277 H 1 UNK 0.0459 42 H10 -1.6744 -7.4241 -1.5607 H 1 UNK 0.0569 43 H11 -0.3063 -7.4142 -0.4739 H 1 UNK 0.0569 44 H12 -3.0491 -8.4560 0.1792 H 1 UNK 0.0610 45 H13 -1.6809 -8.4461 1.2660 H 1 UNK 0.0610 46 H14 -4.2947 -10.5072 -0.1910 H 1 UNK 0.0621 47 H15 -4.9835 -12.6472 0.6859 H 1 UNK 0.0619 48 H16 -3.6992 -13.7075 2.4329 H 1 UNK 0.0654 49 H17 -1.0247 -10.4810 2.4143 H 1 UNK 0.0658 50 H18 -1.6597 -11.1296 5.5590 H 1 UNK 0.0655 51 H19 0.1892 -9.9011 6.5056 H 1 UNK 0.0633 52 H20 2.7693 -11.5971 3.6819 H 1 UNK 0.0633 53 H21 0.9285 -12.8447 2.7444 H 1 UNK 0.0655 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 9 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 7 10 1 10 8 9 ar 11 10 11 1 12 10 28 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 19 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 18 20 1 23 20 21 1 24 21 26 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 24 25 ar 29 24 27 1 30 25 26 ar 31 28 29 1 32 28 30 1 33 28 31 1 34 1 32 1 35 1 33 1 36 1 34 1 37 2 35 1 38 2 36 1 39 5 37 1 40 6 38 1 41 8 39 1 42 9 40 1 43 10 41 1 44 11 42 1 45 11 43 1 46 13 44 1 47 13 45 1 48 15 46 1 49 16 47 1 50 17 48 1 51 19 49 1 52 22 50 1 53 23 51 1 54 25 52 1 55 26 53 1