@MOLECULE FDBD02306 53 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.9645 4.1194 2.3479 C.3 1 UNK -0.0537 2 C1 1.5348 2.7008 2.2925 C.3 1 UNK 0.0135 3 C2 1.9588 2.2664 3.6970 C.3 1 UNK -0.0537 4 C3 0.4666 1.7420 1.7629 C.3 1 UNK 0.0572 5 O -0.6678 1.7658 2.6317 O.3 1 UNK -0.3743 6 C4 -1.7295 0.9000 2.2251 C.3 1 UNK 0.0728 7 C5 -2.8673 1.0048 3.2077 C.ar 1 UNK -0.0185 8 C6 -2.9091 0.1683 4.3081 C.ar 1 UNK -0.0562 9 C7 -3.9512 0.2621 5.2117 C.ar 1 UNK -0.0580 10 C8 -4.9542 1.1922 5.0171 C.ar 1 UNK -0.0193 11 C9 -4.9146 2.0326 3.9140 C.ar 1 UNK 0.1288 12 C10 -3.8644 1.9402 3.0116 C.ar 1 UNK -0.0140 13 O1 -5.8999 2.9482 3.7203 O.3 1 UNK -0.4560 14 C11 -5.8785 3.6752 2.5724 C.ar 1 UNK 0.1284 15 C12 -6.5159 3.1985 1.4358 C.ar 1 UNK -0.0193 16 C13 -6.4926 3.9394 0.2703 C.ar 1 UNK -0.0583 17 C14 -5.8344 5.1550 0.2354 C.ar 1 UNK -0.0615 18 C15 -5.1981 5.6321 1.3664 C.ar 1 UNK -0.0583 19 C16 -5.2240 4.8982 2.5364 C.ar 1 UNK -0.0193 20 C17 2.7311 2.6757 1.3763 C.ar 1 UNK -0.0393 21 C18 2.7256 1.8650 0.2563 C.ar 1 UNK -0.0545 22 C19 3.8212 1.8398 -0.5849 C.ar 1 UNK -0.0194 23 C20 4.9272 2.6292 -0.3053 C.ar 1 UNK 0.1281 24 C21 4.9300 3.4421 0.8189 C.ar 1 UNK -0.0194 25 C22 3.8299 3.4676 1.6542 C.ar 1 UNK -0.0545 26 O2 6.0063 2.6059 -1.1310 O.3 1 UNK -0.4236 27 C23 7.1092 3.4445 -0.7810 C.3 1 UNK 0.4611 28 Br 8.5380 3.2391 -2.1158 Br 1 UNK 0.0416 29 F 6.6891 4.7785 -0.7491 F 1 UNK -0.1530 30 F1 7.5925 3.0775 0.4795 F 1 UNK -0.1530 31 H 0.1151 4.1372 2.9984 H 1 UNK 0.0239 32 H1 0.6680 4.4232 1.3657 H 1 UNK 0.0239 33 H2 1.7116 4.7899 2.7183 H 1 UNK 0.0239 34 H3 1.1094 2.2842 4.3475 H 1 UNK 0.0239 35 H4 2.7059 2.9369 4.0674 H 1 UNK 0.0239 36 H5 2.3576 1.2743 3.6583 H 1 UNK 0.0239 37 H6 0.8655 0.7499 1.7242 H 1 UNK 0.0568 38 H7 0.1701 2.0458 0.7807 H 1 UNK 0.0568 39 H8 -1.3753 -0.1093 2.1958 H 1 UNK 0.0610 40 H9 -2.0708 1.1866 1.2523 H 1 UNK 0.0610 41 H10 -2.1610 -0.5273 4.4550 H 1 UNK 0.0621 42 H11 -3.9800 -0.3631 6.0322 H 1 UNK 0.0619 43 H12 -5.7321 1.2617 5.6917 H 1 UNK 0.0654 44 H13 -3.8285 2.5698 2.1947 H 1 UNK 0.0658 45 H14 -7.0070 2.2912 1.4612 H 1 UNK 0.0654 46 H15 -6.9668 3.5854 -0.5752 H 1 UNK 0.0619 47 H16 -5.8181 5.7071 -0.6364 H 1 UNK 0.0618 48 H17 -4.7034 6.5373 1.3365 H 1 UNK 0.0619 49 H18 -4.7570 5.2592 3.3829 H 1 UNK 0.0654 50 H19 1.9024 1.2783 0.0485 H 1 UNK 0.0622 51 H20 3.8169 1.2343 -1.4206 H 1 UNK 0.0654 52 H21 5.7532 4.0273 1.0310 H 1 UNK 0.0654 53 H22 3.8283 4.0782 2.4862 H 1 UNK 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 20 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 12 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 11 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 20 25 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 23 26 1 28 24 25 ar 29 26 27 1 30 27 28 1 31 27 29 1 32 27 30 1 33 1 31 1 34 1 32 1 35 1 33 1 36 3 34 1 37 3 35 1 38 3 36 1 39 4 37 1 40 4 38 1 41 6 39 1 42 6 40 1 43 8 41 1 44 9 42 1 45 10 43 1 46 12 44 1 47 15 45 1 48 16 46 1 49 17 47 1 50 18 48 1 51 19 49 1 52 21 50 1 53 22 51 1 54 24 52 1 55 25 53 1