15602996 -OEChem-03292407203D 37 38 0 0 0 0 0 0 0999 V2000 1.5537 2.1457 1.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 2.1182 -1.2322 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 -2.7254 0.1226 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 0.5066 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -3.6025 1.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -3.3107 -1.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3525 -0.8568 1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 -1.7261 -0.2067 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9313 0.3547 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 -1.6349 0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9198 -0.6501 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -0.1279 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 0.8975 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -0.9157 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 0.7731 1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6888 1.8584 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 1.2504 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -0.8359 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 1.7341 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8553 2.2768 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9816 1.9493 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0302 -0.1370 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 1.2556 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 -0.5974 -2.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -1.7819 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -0.5759 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -1.6751 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 0.3870 2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 2.2867 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 -1.9205 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 2.0634 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6034 3.0260 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0078 3.0354 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8651 -0.6906 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 -0.3525 -2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 -1.4904 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1277 -0.8069 -3.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > 15602996 > 0.8 > 1 187 284 274 310 161 286 196 225 239 151 233 264 291 191 122 230 68 15 334 346 140 126 210 323 215 298 272 262 115 222 178 200 38 205 238 172 255 297 243 149 237 236 8 66 81 142 174 84 329 56 203 165 248 70 304 220 139 127 60 341 317 218 160 232 217 231 293 296 106 325 302 245 91 319 80 59 64 202 235 105 207 305 58 327 73 83 309 130 173 229 102 61 52 339 280 275 214 189 223 351 86 34 318 123 125 75 194 157 119 57 320 285 30 54 104 135 175 240 224 315 228 36 184 179 204 343 303 348 261 252 168 77 65 103 121 246 227 101 138 250 72 190 192 265 300 226 154 273 93 322 31 219 276 332 164 94 162 109 145 283 144 221 287 82 345 331 282 170 183 254 133 209 337 314 177 79 163 326 199 185 208 244 107 206 211 141 294 114 4 347 62 96 234 212 313 69 159 268 134 16 180 100 198 257 216 95 281 169 85 213 90 292 182 328 10 181 44 271 350 23 87 117 299 295 241 128 143 308 55 131 269 147 21 344 290 99 193 63 307 267 279 111 270 88 321 316 150 171 110 311 71 19 263 251 153 188 301 258 124 156 336 22 41 259 349 278 113 74 289 288 266 51 27 247 158 253 340 312 249 260 12 7 129 120 242 108 338 330 148 335 324 6 49 32 166 342 176 186 98 118 333 112 146 89 48 5 132 78 18 26 97 76 29 11 2 256 137 46 167 53 3 20 42 35 25 37 152 136 352 40 92 17 201 24 306 28 197 155 195 116 39 67 13 33 50 45 277 43 14 47 9 > 34 1 -0.18 10 -0.17 11 -0.18 12 0.09 13 0.08 14 0.72 15 -0.15 16 -0.15 17 0.18 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 0.18 24 0.28 25 0.15 26 0.15 27 0.42 28 0.15 29 0.15 3 1.45 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 4 -0.36 5 -0.65 6 -0.65 7 -0.57 8 -0.79 9 0.03 > 6 > 7 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 donor 6 12 17 18 21 22 23 rings 6 9 13 15 16 19 20 rings > 24 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 00EE153400000001 > 70.5267 > 35.541 > 10498660 4 18187071884296885428 105312 117 18338809995521145654 12363563 72 10879989176969217257 12788726 201 18121485019542811579 12892183 10 15068620444431359347 13583140 156 16153419567293389341 13944108 23 17906455420078579841 14790565 3 18339373958997899120 14848178 5 11600003219910268492 14950920 106 13334735777805673964 15342168 16 18338517418365165433 15352361 1 9799687082424558537 17349148 13 11167945783769494348 17780758 139 12324235074906032181 193927 3 12175626208804002012 20775438 99 16336902932489702791 22907989 373 18056755653450144351 23402655 69 18411425046655550404 23559900 14 18343591755196379570 2637199 183 18411984632837195962 2838139 119 18334573521390173956 3459 83 18058738975069107614 350125 39 18337681931040469715 38570 142 18129119835038108313 469060 322 16516244183907336531 474 4 18340765919459338195 5252454 2 18260822713562382128 57724786 102 18114465548336984464 6034566 193 18409730630407057357 633830 44 18341335479003684575 7808743 9 18261115218152323992 > 473.04 12.8 3.38 1.77 7.77 2.32 0.59 -10.95 5.06 -0.47 -0.54 -2.13 0.01 -1.59 > 974.206 > 273.5 > 2 5 10 $$$$