@MOLECULE FDBD00266 87 91 0 0 0 SMALL USER_CHARGES @ATOM 1 F 4.3431 7.8917 0.8056 F 1 UNK -0.1620 2 F1 5.6528 7.5954 2.5722 F 1 UNK -0.1620 3 F2 6.5177 7.5442 0.5300 F 1 UNK -0.1620 4 O 7.0565 0.7627 0.2977 O.3 1 UNK -0.3432 5 O1 5.6320 1.3130 -1.4852 O.3 1 UNK -0.3457 6 O2 5.6366 -3.2379 -0.1330 O.3 1 UNK -0.3805 7 O3 3.3168 4.1384 -2.0192 O.3 1 UNK -0.3874 8 O4 9.1855 0.1254 -1.2322 O.3 1 UNK -0.5057 9 O5 9.4991 -4.3344 2.0890 O.3 1 UNK -0.5057 10 O6 4.5932 -3.7758 2.9649 O.2 1 UNK -0.2907 11 O7 2.9206 -2.9424 0.1166 O.3 1 UNK -0.4568 12 O8 11.6678 -0.1826 -1.6929 O.2 1 UNK -0.2864 13 O9 11.9907 -4.4632 1.4843 O.2 1 UNK -0.2865 14 O10 5.0265 5.0871 2.2089 O.2 1 UNK -0.2660 15 O11 14.1481 -0.3158 -2.3025 O.3 1 UNK -0.4944 16 O12 2.7634 -5.0882 0.8090 O.2 1 UNK -0.2508 17 N 5.1324 5.2245 -0.0487 N.am 1 UNK -0.3024 18 C 6.8291 -0.6399 0.1119 C.3 1 UNK 0.0934 19 C1 5.6915 -2.6473 1.1696 C.3 1 UNK 0.1337 20 C2 5.7040 -1.1128 1.0569 C.3 1 UNK 0.0141 21 C3 6.9974 -3.0728 1.8665 C.3 1 UNK 0.0124 22 C4 8.1389 -1.4148 0.2938 C.ar 1 UNK 0.0302 23 C5 8.2192 -2.5429 1.1172 C.ar 1 UNK 0.0070 24 C6 5.8993 1.5111 -0.0897 C.3 1 UNK 0.1621 25 C7 4.8915 3.8020 -0.2078 C.3 1 UNK 0.0563 26 C8 6.1469 3.0052 0.1950 C.3 1 UNK 0.0194 27 C9 4.5497 3.4980 -1.6787 C.3 1 UNK 0.0995 28 C10 4.4169 1.9721 -1.8654 C.3 1 UNK 0.0864 29 C11 4.4906 -3.0790 1.9684 C.2 1 UNK 0.2020 30 C12 9.2776 -0.9789 -0.3906 C.ar 1 UNK 0.1345 31 C13 9.4350 -3.2142 1.2667 C.ar 1 UNK 0.1322 32 C14 10.5004 -1.6439 -0.2370 C.ar 1 UNK 0.0784 33 C15 10.5785 -2.7656 0.5961 C.ar 1 UNK 0.0782 34 C16 4.1186 1.6570 -3.3431 C.3 1 UNK -0.0361 35 C17 3.1388 -2.6155 1.4977 C.3 1 UNK 0.1530 36 C18 11.7368 -1.1595 -0.9649 C.2 1 UNK 0.2016 37 C19 11.9002 -3.4829 0.7629 C.2 1 UNK 0.1982 38 C20 13.0606 -1.8739 -0.7992 C.ar 1 UNK 0.0748 39 C21 13.1305 -2.9933 0.0360 C.ar 1 UNK 0.0367 40 C22 5.1769 5.7468 1.1927 C.2 1 UNK 0.3176 41 C23 14.2112 -1.4334 -1.4662 C.ar 1 UNK 0.1316 42 C24 14.3403 -3.6713 0.2075 C.ar 1 UNK -0.0500 43 C25 5.4294 7.2261 1.2816 C.3 1 UNK 0.4694 44 C26 15.4184 -2.1181 -1.2893 C.ar 1 UNK -0.0192 45 C27 15.4887 -3.2351 -0.4551 C.ar 1 UNK -0.0576 46 C28 2.7544 -4.2549 -0.0847 C.2 1 UNK 0.3075 47 C29 2.5518 -4.6375 -1.5246 C.3 1 UNK 0.0449 48 C30 2.3689 -6.1581 -1.6975 C.3 1 UNK -0.0432 49 C31 15.3816 0.0513 -2.9334 C.3 1 UNK 0.0788 50 C32 0.9347 -6.5541 -1.2999 C.3 1 UNK -0.0554 51 C33 0.7727 -8.0806 -1.4197 C.3 1 UNK -0.0653 52 H 6.4105 -2.9594 -0.6472 H 1 UNK 0.2108 53 H1 3.4066 5.0968 -1.8999 H 1 UNK 0.2100 54 H2 8.3669 0.5697 -1.3343 H 1 UNK 0.2922 55 H3 8.7314 -4.6317 2.5364 H 1 UNK 0.2922 56 H4 5.2615 5.7999 -0.8370 H 1 UNK 0.1493 57 H5 6.4989 -0.8336 -0.8873 H 1 UNK 0.0649 58 H6 4.7617 -0.7819 0.6730 H 1 UNK 0.0326 59 H7 5.8771 -0.6997 2.0286 H 1 UNK 0.0326 60 H8 7.0439 -4.1413 1.8992 H 1 UNK 0.0347 61 H9 7.0027 -2.6655 2.8559 H 1 UNK 0.0347 62 H10 5.0514 1.1767 0.4708 H 1 UNK 0.0910 63 H11 4.0742 3.5162 0.4209 H 1 UNK 0.0526 64 H12 6.9867 3.3454 -0.3741 H 1 UNK 0.0333 65 H13 6.3499 3.1482 1.2358 H 1 UNK 0.0333 66 H14 5.3264 3.8658 -2.3161 H 1 UNK 0.0638 67 H15 3.6178 1.6215 -1.2462 H 1 UNK 0.0620 68 H16 4.9233 2.0115 -3.9528 H 1 UNK 0.0255 69 H17 3.2101 2.1412 -3.6347 H 1 UNK 0.0255 70 H18 4.0152 0.5994 -3.4684 H 1 UNK 0.0255 71 H19 2.3836 -3.0883 2.0902 H 1 UNK 0.0779 72 H20 3.0945 -1.5515 1.6014 H 1 UNK 0.0779 73 H21 14.3848 -4.4965 0.8256 H 1 UNK 0.0625 74 H22 16.2659 -1.7939 -1.7808 H 1 UNK 0.0654 75 H23 16.3830 -3.7346 -0.3292 H 1 UNK 0.0619 76 H24 3.4062 -4.3260 -2.0884 H 1 UNK 0.0377 77 H25 1.6620 -4.1558 -1.8726 H 1 UNK 0.0377 78 H26 3.0672 -6.6742 -1.0722 H 1 UNK 0.0270 79 H27 2.5402 -6.4228 -2.7200 H 1 UNK 0.0270 80 H28 15.2253 0.9132 -3.5478 H 1 UNK 0.0660 81 H29 15.7279 -0.7602 -3.5388 H 1 UNK 0.0660 82 H30 16.1125 0.2749 -2.1846 H 1 UNK 0.0660 83 H31 0.2373 -6.0691 -1.9505 H 1 UNK 0.0263 84 H32 0.7483 -6.2535 -0.2901 H 1 UNK 0.0263 85 H33 0.9592 -8.3809 -2.4296 H 1 UNK 0.0230 86 H34 -0.2237 -8.3563 -1.1438 H 1 UNK 0.0230 87 H35 1.4701 -8.5654 -0.7689 H 1 UNK 0.0230 @BOND 1 43 1 1 2 43 2 1 3 43 3 1 4 24 4 1 5 24 5 1 6 28 5 1 7 27 7 1 8 30 8 1 9 31 9 1 10 29 10 2 11 35 11 1 12 11 46 1 13 36 12 2 14 37 13 2 15 40 14 2 16 41 15 1 17 15 49 1 18 46 16 2 19 17 25 1 20 40 17 am 21 4 18 1 22 18 20 1 23 18 22 1 24 19 6 1 25 20 19 1 26 19 21 1 27 19 29 1 28 23 21 1 29 22 23 ar 30 22 30 ar 31 23 31 ar 32 26 24 1 33 25 26 1 34 25 27 1 35 27 28 1 36 28 34 1 37 29 35 1 38 30 32 ar 39 31 33 ar 40 32 33 ar 41 32 36 1 42 33 37 1 43 36 38 1 44 37 39 1 45 38 39 ar 46 38 41 ar 47 39 42 ar 48 40 43 1 49 41 44 ar 50 42 45 ar 51 44 45 ar 52 46 47 1 53 47 48 1 54 48 50 1 55 50 51 1 56 6 52 1 57 7 53 1 58 8 54 1 59 9 55 1 60 17 56 1 61 18 57 1 62 20 58 1 63 20 59 1 64 21 60 1 65 21 61 1 66 24 62 1 67 25 63 1 68 26 64 1 69 26 65 1 70 27 66 1 71 28 67 1 72 34 68 1 73 34 69 1 74 34 70 1 75 35 71 1 76 35 72 1 77 42 73 1 78 44 74 1 79 45 75 1 80 47 76 1 81 47 77 1 82 48 78 1 83 48 79 1 84 49 80 1 85 49 81 1 86 49 82 1 87 50 83 1 88 50 84 1 89 51 85 1 90 51 86 1 91 51 87 1