71157192 -OEChem-04262417083D 41 43 0 0 0 0 0 0 0999 V2000 0.6141 -4.2681 -0.4017 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.8364 -0.8669 1.1543 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 0.4063 1.9994 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 0.3345 0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 -0.6459 2.3244 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 1.4183 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 0.0099 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 2.0742 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 -0.2706 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 0.8280 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0496 1.3356 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2943 -1.0324 -1.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -1.5936 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 0.8519 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -2.3553 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -2.6359 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 0.5310 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.4593 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 1.3889 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 -0.1499 1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 0.7781 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 -0.0264 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 1.3951 -1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 0.3580 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3826 0.8716 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7643 -0.1955 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 2.0328 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 1.4422 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 3.0993 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 2.1850 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 0.6970 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 1.8347 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 -0.8322 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -1.8191 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -3.1573 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1623 2.0834 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 1.7955 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 -0.7734 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2261 0.8836 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8153 1.8072 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4434 0.8725 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 3 17 1 0 0 0 0 4 14 2 0 0 0 0 4 24 1 0 0 0 0 5 26 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 41 1 0 0 0 0 M END > 71157192 > 0.8 > 5 131 278 184 307 81 8 177 297 281 191 85 114 286 163 205 302 252 264 115 9 306 151 174 46 87 266 301 142 101 310 162 262 201 111 253 21 156 300 109 136 104 182 293 317 50 263 37 159 290 240 248 298 211 215 220 91 329 327 261 100 265 321 28 20 285 140 187 239 233 26 166 238 48 221 273 90 208 224 68 135 296 217 84 203 305 198 190 176 40 126 324 275 24 223 110 72 194 121 209 61 149 120 130 322 129 119 86 155 268 212 139 108 196 80 78 34 66 158 29 47 282 186 98 295 199 165 214 154 197 289 70 175 161 210 228 133 311 54 284 75 234 93 127 256 218 82 267 53 254 19 257 231 192 95 23 27 77 219 105 247 2 229 169 225 18 83 200 148 107 193 89 55 71 283 242 134 56 73 173 164 14 6 213 1 160 92 226 38 49 143 12 118 291 22 188 232 31 235 112 41 304 11 137 132 259 303 144 216 189 287 102 60 276 181 320 152 10 230 294 183 323 17 318 170 271 270 279 147 171 280 59 35 117 4 76 69 202 146 39 25 51 32 246 88 204 96 3 79 167 328 43 145 330 13 272 241 227 65 106 45 67 168 44 123 116 42 288 58 33 64 16 57 207 125 15 325 113 299 245 122 179 52 128 157 195 316 274 124 309 138 243 249 97 172 153 185 94 150 326 7 222 292 313 308 269 250 141 99 277 180 237 103 244 236 315 63 258 251 319 260 74 206 178 255 314 30 312 36 62 > 35 1 -0.18 10 0.29 11 -0.14 12 -0.15 13 -0.15 14 0.17 15 -0.15 16 0.18 17 0.19 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 -0.15 22 0.18 23 -0.15 24 0.38 25 -0.15 26 0.48 3 -0.19 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.62 40 0.15 41 0.15 5 -0.56 6 0.14 7 -0.14 8 0.14 9 -0.14 > 5 > 5 1 4 acceptor 1 5 acceptor 6 11 17 18 20 21 22 rings 6 4 14 19 23 24 25 rings 6 7 9 12 13 15 16 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 043DC5C800000005 > 60.5224 > 25.373 > 10 15 18412257368257280768 10074138 170 18266724969427553602 10906281 52 17969247597871072085 1100329 8 18128820927016184789 11045977 3 16877664577774311388 11488393 25 17914070702078972343 11578080 2 17984438338920009889 11719270 70 18409730642901588171 12373685 5 18263347133095798759 12403259 118 18261108530630294684 12422481 6 18260824857014989142 12592029 89 18410859823973313630 12633257 1 18343294903767640932 12788726 201 17838898488078671518 12839892 36 18408604760105945515 12916748 109 16988851570146597792 13782708 43 13912869884133636856 14866123 147 18341603871431397110 15183329 4 9799697000015624459 15849732 13 18260830393628656300 15927050 60 17617111638306600485 16728300 4 17896584112295213322 16992727 255 10735341787060140955 17357779 13 11891332075568403180 173720 79 18412824694328481334 17980427 23 17676500449390156109 1813 80 11458426864101389030 18222031 100 12251903698467860204 20028762 73 18130229384258014127 21304303 64 13398628389657980299 21304304 249 17603871117658368163 21424621 283 16128383665927376059 21682296 61 18125164831789606694 21756936 100 16845565409843388779 21781051 124 18335718138891424278 22079108 93 17704356584526138201 22224240 67 18202848773108329731 22956985 138 18046914779373870834 23175994 123 8790882982571393773 23559900 14 17899987023621493927 283562 15 16610822211212945269 314173 85 12540695933308473860 3178227 256 18343026614113669353 392239 28 17703796980916678395 4340502 62 18131638876143367903 465052 167 17822300105752601969 469060 322 18336251449427958783 5912855 24 17972041611525244602 59755656 520 17775287170603069407 6081469 158 15285631093223835435 6691757 9 18128512991020367610 7226269 152 17704065201487306440 > 521.57 14.04 2.77 1.82 1.94 3.73 -0.41 -3.42 -7.76 0.12 1.16 0.9 0.13 -0.58 > 1112.893 > 291.5 > 2 5 10 $$$$