2812365 -OEChem-09182619283D 38 40 0 0 0 0 0 0 0999 V2000 -3.3228 2.3101 0.7490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.8378 1.1353 -1.9208 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -0.8474 1.1769 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.6067 -0.4357 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -1.5988 -1.4930 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 -0.0408 2.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -2.2918 1.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 -0.4869 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -0.9461 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 -1.0794 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -0.2446 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 -1.2220 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 0.0810 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -0.0707 -0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4815 -2.0563 -0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 1.1136 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -1.1846 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 1.2881 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9311 0.9410 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 1.5421 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 -0.7561 -0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 2.2939 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7153 2.1198 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4392 0.6073 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 -1.0097 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 0.5862 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 -2.0209 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 -0.4265 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 -2.2779 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.6855 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -3.0207 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 -2.2524 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 1.4494 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 0.8136 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7218 2.6051 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9005 -1.4956 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 3.2159 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 2.9074 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 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 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > 2812365 > 0.8 > 2 48 266 133 208 270 34 62 125 325 301 189 112 164 102 38 80 117 137 229 59 156 312 234 287 3 130 9 4 186 98 335 81 250 168 92 345 182 340 36 53 351 123 172 188 241 292 166 294 114 343 347 94 284 66 122 278 268 1 129 26 116 317 16 290 181 197 8 82 39 79 175 248 199 198 23 331 279 105 70 319 47 142 146 71 288 264 171 121 64 254 19 109 83 27 346 41 253 5 73 147 286 303 231 349 176 205 89 52 225 101 155 18 272 252 11 95 261 232 243 96 187 235 35 32 17 220 311 277 45 86 63 145 75 348 177 153 91 249 37 152 334 69 22 203 217 7 159 344 68 238 314 54 299 191 118 120 216 157 65 307 291 42 77 211 61 275 127 316 297 88 99 259 154 30 139 196 103 209 271 174 190 28 305 178 218 12 49 126 236 141 318 135 140 60 233 119 276 226 293 131 78 332 24 322 72 341 326 160 304 44 185 212 85 338 87 106 158 33 289 6 124 195 179 14 107 15 111 40 162 280 110 267 202 219 244 213 151 237 258 150 201 113 104 207 184 55 21 173 100 90 144 192 57 138 165 58 169 20 222 328 67 13 25 10 167 221 56 223 251 134 329 306 257 296 350 315 148 247 230 43 50 214 108 255 260 320 273 239 170 74 161 93 76 262 309 84 31 336 282 97 204 163 321 210 149 246 245 193 29 269 342 132 242 224 143 136 194 215 308 183 281 228 46 302 274 285 298 256 263 128 227 115 310 283 330 51 352 180 333 324 265 206 327 337 200 313 339 300 295 323 240 > 31 1 -0.18 10 -0.18 11 -0.01 12 0.41 14 0.04 15 -0.11 16 0.18 17 -0.15 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.18 3 1.2 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.46 5 -0.08 6 -0.65 7 -0.65 8 0.11 9 0.23 > 6 > 5 1 6 acceptor 1 7 acceptor 5 5 10 13 14 15 rings 6 11 16 17 20 21 24 rings 6 13 14 18 19 22 23 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 002AE9CD00000002 > 45.2142 > 25.449 > 10 15 13479141180868806407 10835480 77 18409729573322505394 11089746 13 18336829702139131426 11101153 10 18202849863519054417 11386260 185 18202007629892473652 11387372 6 11671766201305454941 11991303 11 16988554749299069719 12166972 35 16056876944299816602 13668630 136 14764626412916472461 13673619 4 12319733674671480939 13782708 43 12463572867847877646 14251764 18 14201404893546078203 14400156 162 9439131991909278853 14528608 73 18413108346927600466 14556957 393 17275112729937821249 14933364 13 18342741814320165533 15183329 4 18272652328942669304 15348495 7 11170206374995943958 1577012 14 17131563768932708378 15799311 1 14189584047861289118 16079462 125 18186235139021466742 16994733 274 16951118462445609117 17844677 252 18201167568010251714 18335252 114 18202568385227980012 18927931 339 14476961186427265507 20157964 124 18272371971322139126 20511986 3 17967523575890436707 20554085 129 17167855361857305865 21033648 29 17967537899975380578 21150785 3 17489587878824171916 21315759 40 15913334568008063590 21424621 283 17531524275042761753 221357 26 18202004309624069728 23081809 10 16845582989055335002 23198884 109 18409168784117708427 23522609 53 16055780765540529330 23559900 14 18341043108201333385 2748736 6 17458063785133834454 300161 21 17748826310636560386 34797466 226 18202289103798077854 4073 2 18114467855046074962 42767 28 18411138021932215096 44249763 50 18261382403551223342 59682541 52 18131631158393183126 999808 66 11600001090075988645 > 497.46 23.99 2.35 1.47 1.76 0.65 -0.1 7.85 10.97 -2.12 -0.17 1.61 -0.14 2.06 > 1010.756 > 292.2 > 2 5 10 $$$$