9852980 -OEChem-04262408433D 75 79 0 0 0 0 0 0 0999 V2000 -6.3547 -4.5688 -0.2804 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7107 3.3877 1.7514 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 2.1034 0.9363 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 -0.4502 -1.6573 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -1.7749 -0.9743 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 -0.3337 -2.5521 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -0.7869 -2.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -1.2142 0.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 -3.7353 2.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 -3.4223 -1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 -2.6512 0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.4027 0.3913 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 0.9294 0.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -0.0120 -0.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0998 2.8693 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4548 3.7736 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1507 1.7656 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8638 4.3477 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5587 2.3429 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9046 3.2482 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.2652 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 1.7441 0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 1.1291 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -0.1683 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 0.7235 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -1.2269 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 0.4768 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 0.6774 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 -1.5066 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 -1.9809 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 1.6366 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 -0.0296 0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.4980 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 0.5269 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -1.0998 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7058 -3.0146 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8061 -2.5403 -1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1683 2.4888 1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 1.3831 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2166 -3.2943 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4857 2.3498 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -0.4887 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -2.4420 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -1.1507 -3.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -3.3721 3.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1005 3.4983 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 4.5990 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3809 3.2049 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1211 1.0773 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 1.1686 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1055 4.9357 -2.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9005 5.0345 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6360 2.9131 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2871 1.5267 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9686 2.6470 -1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8917 3.6973 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 1.4713 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0239 3.0320 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 0.9923 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 2.5609 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 1.8887 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -1.7173 2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 2.0864 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -1.0938 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9127 -0.9437 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 3.2421 2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2382 -2.8054 -2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 1.2998 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -2.1668 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 -0.9944 -3.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 -0.4756 -4.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 -4.0476 4.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 -2.3562 3.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4264 -3.5270 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 -4.3119 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 41 1 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 42 1 0 0 0 0 5 42 1 0 0 0 0 6 42 1 0 0 0 0 7 29 1 0 0 0 0 7 44 1 0 0 0 0 8 32 2 0 0 0 0 9 36 1 0 0 0 0 9 45 1 0 0 0 0 10 43 1 0 0 0 0 10 75 1 0 0 0 0 11 43 2 0 0 0 0 12 24 1 0 0 0 0 12 25 2 0 0 0 0 13 25 1 0 0 0 0 13 32 1 0 0 0 0 13 61 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 31 1 0 0 0 0 28 34 2 0 0 0 0 29 37 2 0 0 0 0 30 36 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 38 2 0 0 0 0 33 63 1 0 0 0 0 34 39 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 40 2 0 0 0 0 37 40 1 0 0 0 0 37 67 1 0 0 0 0 38 41 1 0 0 0 0 38 66 1 0 0 0 0 39 41 2 0 0 0 0 39 68 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 M END > 9852980 > 1.2 > 3 5 33 26 6 34 35 39 19 25 38 32 36 18 16 29 20 14 8 27 37 40 24 22 12 21 9 30 15 4 7 31 23 28 13 2 17 10 1 11 > 44 1 -0.18 10 -0.65 11 -0.57 12 -0.57 13 -0.49 14 0.05 2 -0.18 22 0.18 23 -0.14 24 0.17 25 0.44 26 0.05 27 -0.24 28 -0.15 29 0.08 3 -0.08 30 -0.15 32 0.71 33 -0.15 34 -0.14 35 0.32 36 0.08 37 -0.15 38 -0.15 39 -0.15 4 -0.34 40 0.18 41 0.18 42 1.16 43 0.66 44 0.28 45 0.28 5 -0.34 6 -0.34 61 0.37 62 0.15 63 0.15 66 0.15 67 0.15 68 0.15 7 -0.36 75 0.5 8 -0.57 9 -0.36 > 13.2 > 13 1 10 acceptor 1 11 acceptor 1 13 donor 1 14 cation 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 10 11 43 anion 5 14 27 28 31 33 rings 5 3 12 23 24 25 rings 6 15 16 17 18 19 20 rings 6 26 29 30 36 37 40 rings 6 28 31 34 38 39 41 rings > 45 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0096583400000003 > 108.9945 > 66.123 > 10190206 1 18263346098208738087 10677351 14 18131072671227222324 10835480 77 18343580737730228560 11991303 11 18334012749760267999 12758862 11 18413387627345426233 13782708 43 18413675708434920466 13811026 1 18343581862689178816 14118638 360 18113613521410340666 150020 25 18272373062075280564 15064986 266 18342735231026909615 19301676 85 18198906907731775829 23576562 1 18261671567353760077 25269216 80 17968392241515669570 2747138 104 18193004926613910466 335507 130 18057606667382360576 4073 2 18410855477555970744 4403749 210 18271801379988720002 44802255 64 18334857174622165733 44880568 143 18334576897255970172 4874694 18 18201992214748146880 504579 68 18131069303667017460 58083652 198 15697994171856885024 6009941 240 18410573985568565905 6086070 43 16917054590808856929 6698420 124 18199194988849035561 > 867.56 29.99 5.63 2.18 24.97 1.24 0.02 -18.67 4.84 -13.03 -0.66 -1 1.54 7.49 > 1854.938 > 490.4 > 2 5 10 $$$$