56678457 -OEChem-04242406553D 46 48 0 1 0 0 0 0 0999 V2000 -3.9130 -1.1578 -1.5502 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -4.3800 -1.0775 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -2.6217 -1.9875 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -2.6660 -1.5957 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 3.1085 0.1926 N 0 0 2 0 0 0 0 0 0 0 0 0 0.5004 1.1301 -0.3978 N 0 0 3 0 0 0 0 0 0 0 0 0 -6.2355 1.0433 0.4035 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 2.3703 -0.3345 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0141 2.6251 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 2.3180 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 2.6831 -1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 -0.1129 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 2.9170 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 1.0984 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -1.0737 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 0.1147 -0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 2.0508 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -2.4521 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -0.5688 1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 0.0831 -0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 2.0195 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 -3.3255 1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -3.0162 -1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 1.0356 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 -1.4422 2.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 -2.8204 2.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0847 1.0398 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 3.2495 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 3.5964 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 1.8796 -2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6556 1.3145 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 2.7707 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 1.6928 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 3.3925 -1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 0.0488 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -0.5125 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 3.2406 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4365 3.5282 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 1.8722 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 -0.6229 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 2.8084 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 0.4899 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3902 2.7643 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -4.4025 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -1.0498 3.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 -3.5002 3.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 27 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > 56678457 > 0.8 > 1 116 188 142 197 86 71 47 162 139 93 159 186 90 185 192 68 45 85 155 83 143 25 77 169 103 195 165 91 74 190 59 184 70 126 67 146 144 46 92 17 96 177 161 33 61 113 64 87 145 158 43 179 50 171 104 118 182 138 89 44 172 166 42 37 131 80 55 78 84 51 97 199 191 15 193 125 26 137 170 141 167 101 99 174 32 175 164 49 82 66 198 156 107 196 160 48 132 3 178 81 187 52 63 21 120 65 123 94 5 194 72 151 35 173 76 58 130 95 111 181 11 140 180 4 122 163 121 189 13 115 183 56 102 153 79 60 9 127 106 27 152 133 53 108 10 176 30 148 168 149 150 157 8 12 22 114 2 62 124 154 19 6 7 57 28 129 147 134 40 29 14 135 105 117 31 69 128 136 34 41 110 119 36 20 75 109 88 54 24 73 23 112 100 98 18 39 38 16 > 33 1 -0.18 10 0.27 11 0.27 12 0.51 13 0.27 14 0.1 15 -0.14 16 -0.15 17 -0.15 18 -0.14 19 -0.15 2 -0.34 20 0.18 21 -0.15 22 -0.15 23 1.16 24 0.07 25 -0.15 26 -0.15 27 0.48 3 -0.34 4 -0.34 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.81 6 -0.84 7 -0.56 8 0.37 > 6 > 6 1 5 cation 1 6 cation 1 7 acceptor 5 5 8 9 10 11 rings 6 14 16 17 20 21 24 rings 6 15 18 19 22 25 26 rings > 27 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0360D83900000001 > 83.22 > 30.447 > 10090160 65 18260823852103768685 10764073 3 14205003521504237368 11421498 54 18202570579334218353 11763715 3 16556185958358232693 12156800 1 17262117803455354786 12160290 23 17541368481001645045 12553582 1 17614565835285700267 12597179 24 18263658401289788640 12788726 201 17398393516885979068 13140716 1 18335416902257903809 133893 2 18189596298923151485 13681431 1 18119795916078360692 13692114 37 18338801246541291043 14022347 108 17256518622337941581 14787075 74 17900000252205181006 14844126 61 17548400962480277056 15664445 248 18050007684065003731 17138139 8 17546415222710421167 1813 80 18050566236251365307 20197701 30 18190723422727225612 20567600 347 18336269028143849881 20600515 1 17330814847556477896 21421861 104 18335978654438156873 21524375 3 18189886707210597036 22907989 373 17396731016402540124 23419403 2 17757881892840140250 23559900 14 18056757625240812853 23598288 3 17467646222655329084 238 59 18190202146709192993 283562 15 15734047471216853620 3411729 13 18335702728585553065 352729 6 17903089063471669252 38695281 34 18341889727158055436 404807 14 16911471078027728302 4340502 62 18113905996299027537 4409770 3 17688326993546753972 469060 322 16457339914238824042 59444896 2 17904163204917402178 59755656 520 18191018100702676540 621550 5 16982084956662158490 6287921 2 18128804279342864794 70251023 43 18122358886900298049 7364860 26 18342178812880254533 9841814 1 18044092346262706041 9981440 41 17840865501923375160 > 520.75 7.51 5.14 2.07 8.58 4.08 0.58 -8.56 -0.07 -4.77 -0.24 -0.69 1.91 -0.58 > 1114.216 > 291.5 > 2 5 10 $$$$