@MOLECULE 71315248 59 62 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.9816 -3.9651 -3.4950 Cl 1 noname -0.0838 2 F1 5.2921 15.2135 4.5455 F 1 noname -0.1636 3 O1 0.9181 3.0071 1.6181 O.3 1 noname -0.3849 4 O2 2.4585 11.1151 0.8704 O.2 1 noname -0.2978 5 N1 3.1137 6.2541 0.3842 N.3 1 noname -0.3030 6 C1 1.6840 3.6000 0.5797 C.3 1 noname 0.0922 7 C2 0.8868 4.9269 0.3008 C.3 1 noname -0.0070 8 C3 3.1642 3.7589 1.0947 C.3 1 noname -0.0070 9 C4 1.6475 6.2470 0.6910 C.3 1 noname 0.0013 10 C5 3.8682 4.9615 0.3849 C.3 1 noname 0.0013 11 C6 1.4861 2.5919 -0.5095 C.2 1 noname -0.0390 12 C7 3.7895 7.2133 1.2564 C.3 1 noname -0.0014 13 C8 3.2125 8.6107 1.0215 C.3 1 noname -0.0331 14 C9 0.2677 1.8089 -0.4746 C.2 1 noname -0.0434 15 C10 2.4825 2.3445 -1.5377 C.2 1 noname -0.0434 16 C11 3.9197 9.6145 1.9343 C.3 1 noname 0.0120 17 C12 0.0614 0.7873 -1.4415 C.2 1 noname -0.0431 18 C13 2.2843 1.3065 -2.4871 C.2 1 noname -0.0431 19 C14 1.0774 0.5459 -2.4172 C.2 1 noname -0.0396 20 C15 3.3692 10.9480 1.7101 C.2 1 noname 0.0921 21 C16 0.8823 -0.4752 -3.3399 C.2 1 noname -0.0306 22 C17 3.8577 12.0317 2.4305 C.2 1 noname -0.0220 23 C18 0.1285 -1.5904 -2.9932 C.2 1 noname -0.0140 24 C19 1.4409 -0.3812 -4.6092 C.2 1 noname -0.0443 25 C20 3.3336 13.3013 2.2171 C.2 1 noname -0.0020 26 C21 4.8704 11.8459 3.3643 C.2 1 noname -0.0020 27 C22 -0.0667 -2.6116 -3.9158 C.2 1 noname -0.0088 28 C23 1.2458 -1.4023 -5.5318 C.2 1 noname -0.0473 29 C24 0.4920 -2.5175 -5.1851 C.2 1 noname -0.0267 30 C25 3.8221 14.3850 2.9375 C.2 1 noname 0.0043 31 C26 5.3590 12.9296 4.0847 C.2 1 noname 0.0043 32 C27 4.8348 14.1992 3.8713 C.2 1 noname 0.0407 33 H1 3.1582 3.9257 2.1719 H 1 noname 0.0312 34 H2 3.7275 2.8374 0.9475 H 1 noname 0.0312 35 H3 -0.0704 4.8918 0.8210 H 1 noname 0.0312 36 H4 0.7479 4.9704 -0.7794 H 1 noname 0.0312 37 H5 4.1153 4.6844 -0.6399 H 1 noname 0.0431 38 H6 4.8255 5.1151 0.8829 H 1 noname 0.0431 39 H7 1.1705 7.0982 0.2052 H 1 noname 0.0431 40 H8 1.5708 6.3590 1.7725 H 1 noname 0.0431 41 H9 3.6374 6.9277 2.2973 H 1 noname 0.0430 42 H10 4.8564 7.2184 1.0332 H 1 noname 0.0430 43 H11 2.1456 8.6055 1.2447 H 1 noname 0.0284 44 H12 3.3646 8.8963 -0.0194 H 1 noname 0.0284 45 H13 0.8936 3.6095 2.3907 H 1 noname 0.2113 46 H14 -0.4379 1.9896 0.2395 H 1 noname 0.0626 47 H15 3.3256 2.9171 -1.5779 H 1 noname 0.0626 48 H16 3.7677 9.3289 2.9752 H 1 noname 0.0350 49 H17 4.9866 9.6196 1.7111 H 1 noname 0.0350 50 H18 -0.7969 0.2362 -1.4390 H 1 noname 0.0629 51 H19 2.9860 1.1094 -3.2006 H 1 noname 0.0629 52 H20 -0.2815 -1.6594 -2.0617 H 1 noname 0.0644 53 H21 1.9941 0.4372 -4.8636 H 1 noname 0.0629 54 H22 2.5904 13.4377 1.5318 H 1 noname 0.0631 55 H23 5.2551 10.9142 3.5209 H 1 noname 0.0631 56 H24 1.6557 -1.3333 -6.4632 H 1 noname 0.0623 57 H25 0.3487 -3.2669 -5.8621 H 1 noname 0.0638 58 H26 3.4375 15.3167 2.7808 H 1 noname 0.0653 59 H27 6.1021 12.7932 4.7699 H 1 noname 0.0653 @BOND 1 1 27 1 2 2 32 1 3 3 6 1 4 3 45 1 5 4 20 2 6 5 9 1 7 5 10 1 8 5 12 1 9 6 7 1 10 6 8 1 11 6 11 1 12 7 9 1 13 7 35 1 14 7 36 1 15 8 10 1 16 8 33 1 17 8 34 1 18 9 39 1 19 9 40 1 20 10 37 1 21 10 38 1 22 11 14 2 23 11 15 1 24 12 13 1 25 12 41 1 26 12 42 1 27 13 16 1 28 13 43 1 29 13 44 1 30 14 17 1 31 14 46 1 32 15 18 2 33 15 47 1 34 16 20 1 35 16 48 1 36 16 49 1 37 17 19 2 38 17 50 1 39 18 19 1 40 18 51 1 41 19 21 1 42 20 22 1 43 21 23 2 44 21 24 1 45 22 25 2 46 22 26 1 47 23 27 1 48 23 52 1 49 24 28 2 50 24 53 1 51 25 30 1 52 25 54 1 53 26 31 2 54 26 55 1 55 27 29 2 56 28 29 1 57 28 56 1 58 29 57 1 59 30 32 2 60 30 58 1 61 31 32 1 62 31 59 1 @SUBSTRUCTURE 1 noname 1