53385430 -OEChem-04252409493D 50 53 0 0 0 0 0 0 0999 V2000 -4.8510 0.3592 2.7022 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.8639 2.7045 -0.6128 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 -1.0169 0.3482 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0271 -1.1196 -0.1832 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -0.2082 -1.2908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -1.8945 0.4079 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -0.8013 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -1.9813 1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -0.2538 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 -1.4722 1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -1.4885 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -1.0718 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 -0.3589 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 0.5209 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7512 -0.2039 -1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -0.9809 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -0.1884 -1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4276 -1.8228 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 -0.9309 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4319 1.5556 0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6554 0.8309 -1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9957 1.7107 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1649 0.2593 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1242 1.5121 -0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 0.0991 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 2.6049 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4446 1.1919 1.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.4448 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9409 -0.0728 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -1.7365 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 -2.9548 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 -2.1391 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 0.7633 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5479 -0.1985 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 -2.2650 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 -0.5915 1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 -2.2709 -0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 -1.9850 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4969 -0.8803 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 0.5016 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -2.4863 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -1.8592 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 -0.9177 -1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7078 2.2498 1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0945 0.9521 -2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 1.6523 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -0.8710 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7146 3.5799 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 1.0674 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 3.2955 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 53385430 > 0.8 > 1 185 149 166 152 51 136 8 154 123 181 85 163 99 69 32 61 134 100 140 108 118 33 114 89 132 124 150 157 50 177 35 158 76 141 109 87 142 116 183 98 147 67 171 94 115 45 95 78 93 111 68 161 168 146 178 40 143 56 62 28 122 15 83 127 43 82 126 120 133 53 182 135 55 64 92 14 104 63 73 162 49 105 90 148 36 2 79 130 137 86 60 167 169 91 160 101 110 70 31 119 65 106 29 170 71 75 176 121 11 19 128 96 164 84 81 18 112 9 125 165 4 77 41 13 144 80 102 184 107 21 74 145 52 12 159 174 25 34 57 17 44 37 72 139 153 173 38 6 97 22 180 113 54 138 129 20 30 156 42 7 47 26 88 48 10 151 155 59 172 16 66 27 131 39 23 175 46 24 117 103 179 5 3 58 > 38 1 -0.18 10 0.37 11 0.41 12 0.72 13 -0.14 14 0.18 15 -0.15 16 -0.14 17 0.16 18 0.16 19 0.29 2 -0.19 20 -0.15 21 -0.15 22 0.19 23 -0.14 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 3 -0.81 39 0.15 4 -0.84 40 0.15 41 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 6 -0.62 7 0.27 8 0.27 9 0.37 > 6.2 > 7 1 3 cation 1 6 acceptor 4 4 5 6 12 cation 6 13 14 15 20 21 22 rings 6 23 24 25 26 27 28 rings 6 3 4 7 8 9 10 rings 6 5 6 12 16 17 18 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032E98D600000001 > 79.9694 > 35.523 > 10 15 17385726915443040980 10066227 112 18342739606912878997 10280341 67 17823408302833659533 10554248 39 16988572238848932030 10693767 8 11239737253550529172 10835480 77 18342176682808499710 11315181 36 17703790311206870517 11456790 92 18334007312094775720 11476731 118 17988641943260454400 117089 54 11454160759867665525 11991303 11 14045730551995930053 12166972 35 8214140755228612742 125118 31 18409168822825272212 12522641 126 15123248589543365556 12838862 33 17676477321370971293 13627175 4 11242263952265966673 13668630 136 10807928254822258341 13673619 4 8502658095214222406 13685833 64 11169905092205096326 13690498 29 16987704883394901359 13782708 43 8574436391844606766 14123256 34 10015864284112508751 14251757 52 18412540998827304952 14344974 204 11026384739920933385 14344974 52 18412257343141396885 15064986 266 14836121071125733323 15131766 46 17702087279280751272 15183329 4 16630529531026227096 15348495 7 16226344701912319989 15350500 55 18270679904927399312 15510800 12 11167931511820387445 16994733 274 18343295989919139040 17093844 174 18040434404548219675 17134984 74 10087645901803010148 1818759 1 13551464836152967072 18335252 114 17274826870563897744 18927931 339 11240001140467116691 2026 5 9438866975385292116 20511986 3 18409728465021093666 21033648 29 17894355467014028731 21130935 74 18113899373096006218 21150785 3 16272206396826741631 21267235 1 11671777187535820551 21424621 283 18407761421681259467 21792934 111 17313375686954104766 2303208 19 8574437487167041646 23081809 10 16128384730953125902 23522609 53 11598901634141181018 23576562 1 16342843486303483441 24771293 8 18187644764868816908 249057 25 17096376214015472151 2748736 6 18412544331858868818 328310 630 18060149751192005289 33532 11 8430319043479400364 3504750 166 10881403141271989315 3918712 181 18342174518662662240 397638 26 16950563272753825281 4093350 32 18335980879432027018 4169191 19 18271250516284870592 465052 167 11963381960952580482 504579 68 14836403648711325996 5104073 3 16154257317712253538 563151 248 13551476989818755784 6328613 192 18202566185144440633 636775 72 18409164415967761165 70634741 139 18059571455890771335 9831232 110 9583250435285553336 9896288 288 11386626500704530663 999808 66 9007055773359690105 > 550.9 25.95 2.38 1.67 4.94 1.06 0.62 21.22 1.7 0.97 0.24 -1.21 0.24 1.23 > 1180.381 > 305.8 > 2 5 10 $$$$