11502243 -OEChem-04232407513D 44 47 0 0 0 0 0 0 0999 V2000 6.1941 -3.4364 0.2671 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2778 -0.9164 -1.2998 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4628 -0.9781 -2.1231 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 0.0713 1.5839 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 0.6708 0.9842 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1286 2.0746 -0.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 1.4384 -1.8242 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5949 2.2755 -0.7028 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 1.6063 1.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 1.5205 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 1.3138 2.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8587 0.2306 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4245 0.0306 2.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 -1.1353 1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 -1.0889 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 0.9098 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -0.0339 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 0.0715 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6716 -2.2073 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 0.2979 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -1.3224 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 0.1144 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7093 -2.1644 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4689 -1.0036 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 2.2631 -1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 -1.9088 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9652 1.3063 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 2.6247 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4084 1.5977 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 2.3770 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 2.1558 2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 1.2373 3.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 0.2980 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -0.6297 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 -0.8460 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -0.0592 3.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7406 -1.2370 2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -2.0290 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -0.2220 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 0.9418 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0879 -3.1174 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 -1.7975 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -3.0347 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 3.2026 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 16 1 0 0 0 0 6 25 2 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 23 2 0 0 0 0 19 41 1 0 0 0 0 21 26 2 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 11502243 > 0.8 > 1 89 4 255 181 100 203 161 205 123 202 113 240 73 226 63 256 115 269 165 95 239 243 22 280 250 191 59 236 206 229 213 119 224 24 150 112 249 294 145 140 125 214 111 166 96 137 210 164 241 231 209 116 6 281 144 126 291 227 32 121 276 272 170 278 92 131 40 221 68 245 61 204 199 139 163 238 53 106 107 274 246 257 72 301 262 235 258 287 56 218 279 91 102 196 289 284 190 11 120 109 104 286 146 200 252 10 260 85 189 130 288 58 299 103 117 156 105 54 30 179 254 38 177 175 39 263 134 23 193 282 265 162 37 147 97 157 51 136 50 99 186 261 197 141 158 44 18 5 42 207 285 122 79 171 167 183 266 232 98 142 296 151 87 28 110 128 295 198 46 86 178 194 14 71 36 223 78 69 43 176 82 247 273 70 159 253 192 77 208 16 174 160 270 195 64 155 152 187 237 153 19 215 292 34 62 275 48 184 25 133 148 17 293 233 185 74 201 180 132 222 83 149 27 47 300 138 216 182 114 228 219 220 234 290 242 268 67 35 12 52 188 15 60 29 75 248 7 264 271 94 33 20 108 127 244 93 143 217 80 259 76 211 41 66 225 129 84 135 3 169 154 172 267 9 124 283 45 31 277 57 230 251 65 88 168 212 173 49 297 2 118 90 8 298 81 21 55 26 13 101 > 30 1 -0.12 12 0.27 13 0.27 14 0.41 15 -0.14 16 0.41 18 -0.15 19 -0.15 2 -0.08 20 0.3 21 -0.15 22 0.07 23 -0.15 24 0.19 25 0.47 26 0.16 27 0.48 3 -0.19 39 0.4 4 -0.81 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 5 -0.87 6 -0.62 7 -0.57 8 -0.56 9 0.37 > 5.2 > 10 1 4 cation 1 5 cation 1 5 donor 1 7 acceptor 1 8 acceptor 3 6 7 25 cation 5 2 17 20 21 26 rings 6 15 18 19 22 23 24 rings 6 4 9 10 11 12 13 rings 6 6 7 16 17 20 25 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 00AF82A300000001 > 51.1129 > 50.827 > 10369192 42 13334746716802669987 105312 117 15357699733590686002 10613725 11 18335701628814994745 10622 236 18266180526947081738 10670039 82 14779537947053321998 11069576 57 18340774745881570806 11135609 201 9222360993813072534 11796584 16 18131073752830934974 12390115 104 15719677640815928673 12596602 18 10592047942369037623 12892183 10 12031523055205391522 13627167 48 17095514063907725613 13761468 95 18117836591544785917 13782708 43 17273687853610623583 13828863 39 8358249345996850786 14251764 75 8934415438386420318 14848178 5 16988850492046255951 15003188 33 18334580152550666388 15183329 4 18187362129828806079 15188451 53 15698002933379067123 15475509 8 17676774175655027141 15530120 55 18191588764147947375 15684389 69 9726761999782676185 15880784 105 11887683866012381165 16126227 98 8429724208005700346 16760501 71 10159684794899125434 17349148 13 15122959520531340961 17857418 61 18201723946590091018 18222031 100 16558758935541190504 19377110 9 9007052448722648425 19438510 23 8213556885058893046 20028762 73 17703794683162663318 21223535 225 17385434397815717228 21315763 87 13326856651420927455 21315764 119 18408323254837474231 21458453 9 11311471620221656310 21585480 29 12319153153542745620 21968339 14 18194125333833074500 22061861 79 18334857233712419702 23559900 14 18040721406736617528 3004659 81 18411418410714819762 312425 54 13398371060961144031 3459 83 18261396620077849221 3663271 9 9871751295228454255 38570 142 17458345204845845049 392239 28 10447934979413249535 397830 11 10375875173261455169 4098825 35 18187091667575750971 437795 70 17313105211736682348 4394409 98 17774717580846947687 439807 62 18341897454490607703 44062 13 18130503141326050015 46194498 28 16954243505512062410 531348 171 18412262822976295351 57307002 182 13973378268147364058 59682541 52 18334289885675505462 613672 6 16415484865127846793 633830 44 17458621259167457913 6443934 186 9799687116778846601 960060 61 18336830887428486744 9689198 14 16878232965884232189 > 529.19 18.67 2.79 2.02 4.31 1.03 0.82 6.72 -11.41 -2.14 -0.43 0.41 -0.51 -1.52 > 1128.696 > 297.4 > 2 5 10 $$$$