24422418 -OEChem-04192400133D 44 46 0 0 0 0 0 0 0999 V2000 3.6524 1.9972 2.5537 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -0.7033 0.6773 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -0.8120 -2.3591 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -0.6735 -0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7683 -1.2871 1.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -1.0921 -3.3313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -0.0014 -2.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 0.9067 0.0252 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4032 -0.8215 1.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 0.8694 1.1392 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 1.6455 -1.0147 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -2.2960 -1.6662 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0601 0.1434 0.5643 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5548 3.1609 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 3.9591 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 1.8398 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 2.9080 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -1.5479 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.2551 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 -1.5892 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -2.1728 1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6975 -0.0283 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 -2.8799 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -2.8387 1.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 -0.2372 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 0.7991 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 0.3811 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 1.4174 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 1.2085 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5556 3.0740 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2591 3.5390 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 4.7867 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 4.3735 -0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 3.1710 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 2.7883 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 1.1182 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -1.1278 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -3.0793 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 -2.1467 2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.3993 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -3.3229 2.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6357 -0.8874 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 0.9755 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 2.0583 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 8 13 1 0 0 0 0 9 13 2 0 0 0 0 10 16 1 0 0 0 0 10 36 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 2 8 -1 13 1 M END > 24422418 > 1 > 1 146 189 67 218 152 300 201 175 43 178 129 69 275 183 227 287 265 266 160 260 268 220 168 128 111 112 12 216 223 144 184 193 286 138 244 3 282 2 314 301 261 307 109 71 167 30 66 33 104 295 140 114 263 16 228 9 44 213 11 127 243 126 21 278 306 81 73 28 86 137 221 34 259 143 122 163 219 291 116 161 10 181 200 297 118 304 100 318 136 133 180 288 237 35 154 102 91 283 253 197 157 277 205 156 191 273 52 179 206 97 204 31 188 125 212 249 42 292 14 296 40 294 151 222 293 195 76 231 26 39 18 274 169 8 149 234 124 262 313 245 250 90 5 239 164 36 285 107 121 299 241 190 309 230 98 4 224 27 256 246 196 60 147 232 203 99 254 198 233 89 176 23 242 155 182 305 13 272 308 289 281 251 255 284 50 162 238 192 85 159 131 240 235 113 94 215 139 170 248 17 15 77 312 68 75 37 24 145 132 93 87 19 6 303 194 165 279 119 96 311 217 199 252 226 174 148 59 302 106 82 208 264 202 270 115 236 134 20 173 317 271 185 209 171 150 7 269 123 38 83 47 22 142 225 29 310 80 315 319 211 166 58 214 247 187 177 95 280 108 92 55 101 45 276 65 267 257 172 61 88 135 120 103 46 258 186 290 141 105 153 84 298 229 70 158 78 210 117 51 72 63 110 64 56 79 32 74 25 316 54 130 48 53 49 57 207 62 41 > 37 1 -0.18 10 -0.79 11 -0.7 12 -0.76 13 0.91 14 0.06 16 0.63 17 0.25 18 -0.01 19 0.2 2 1.45 20 -0.15 21 -0.15 22 -0.01 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.13 28 -0.15 29 0.18 3 1.45 36 0.42 37 0.15 38 0.42 39 0.15 4 -0.65 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 5 -0.65 6 -0.65 7 -0.65 8 -0.52 9 -0.52 > 7.6 > 13 1 10 donor 1 11 acceptor 1 12 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 8 anion 1 9 acceptor 5 11 14 15 16 17 rings 6 18 19 20 21 23 24 rings 6 22 25 26 27 28 29 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0174A81200000001 > 52.1177 > 66.096 > 10764073 3 17685203985698608974 11725454 13 18131066039217669586 12128747 34 18337110073520529306 12166972 35 17459467947920316823 12596602 18 17095808831607626752 12633257 1 18200324336754045777 12788726 201 18116454672267055901 13009979 54 17387147548574541490 131258 38 16811239983848623155 13402501 40 18272376373178405497 13726171 33 17755625742473218885 14178342 30 18117007589393313925 14251751 93 18338508655903868729 14251757 17 17915472596509778462 14251764 3 18131068225297604720 14856354 85 17831573546694975400 20600515 1 18189630508691085589 21591340 35 17259339969017261265 23419403 2 17700724803214645166 238 59 17488731268834873053 3052486 1 18042990725531746117 35225 105 18045750529750664061 469060 322 17050173760505759808 508706 21 18337682914334629703 513202 73 15720782495398987954 5252454 2 17686930236107537341 550186 7 18411428327741591564 9862522 239 18201711851693166614 > 551.24 9.01 3.9 2.49 7.41 1.81 -1.18 2.65 3.93 -3.81 0.66 1.03 -0.57 2.19 > 1146.233 > 315.6 > 2 5 10 $$$$