3652 -OEChem-04252408553D 49 50 0 1 0 0 0 0 0999 V2000 -4.9068 -1.9876 -1.6099 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 -2.9958 0.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 -1.2358 -0.1070 N 0 0 1 0 0 0 0 0 0 0 0 0 0.0406 2.4644 -0.3071 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -0.0466 2.2104 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 1.6277 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 0.8671 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 2.8618 -0.0060 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3526 -0.3158 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -1.7055 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 3.8197 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -2.3716 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 1.6265 0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -2.5775 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -1.9109 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 0.7631 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.6215 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 -0.0583 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.7252 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 0.7826 2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 -0.8967 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.1228 -1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 -0.9346 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 0.9667 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 1.9580 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.5854 -1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 1.5278 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 3.4070 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 -0.8147 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3415 0.1012 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 2.6479 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -2.2532 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -0.8924 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 3.4293 -2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 4.7594 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 4.0620 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 -2.9720 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -3.0340 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 -3.4961 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 -2.0254 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7493 -1.4534 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2485 -1.2047 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8498 -2.7735 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 2.2609 2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 1.3321 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 0.7528 3.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 -1.5378 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 -0.1410 -2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 -3.5036 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 49 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 M END > 3652 > 1 > 2 25 172 286 111 226 295 56 9 131 279 42 266 282 43 253 189 118 275 195 203 156 153 10 285 80 187 233 57 11 232 294 184 301 255 127 79 22 116 231 15 243 112 248 169 53 106 224 200 33 135 38 214 34 199 137 94 298 66 300 140 3 274 28 48 72 175 73 254 180 46 164 259 170 8 177 114 90 27 84 120 201 296 115 216 20 91 128 280 4 249 264 54 121 287 16 70 154 1 290 124 246 50 258 147 277 144 270 139 64 113 136 289 238 281 19 278 87 26 198 77 186 150 176 145 250 166 194 130 76 257 105 107 95 5 302 152 237 297 219 220 162 89 32 39 129 240 126 97 163 288 59 110 134 207 36 44 213 276 293 133 123 117 37 183 125 174 82 252 6 197 83 235 23 211 98 261 40 218 239 283 101 212 86 92 179 161 60 225 102 18 196 62 108 143 271 71 167 256 234 173 209 149 13 229 93 24 119 41 55 263 230 31 85 51 122 269 210 158 29 155 205 188 267 78 75 96 30 47 146 222 159 49 221 292 291 63 151 190 223 251 202 284 206 178 268 17 58 7 244 74 227 228 35 81 138 12 272 185 142 247 182 262 171 65 103 21 68 265 193 160 236 104 61 215 141 191 69 192 14 45 260 52 181 242 299 273 245 100 88 165 241 157 109 204 168 217 132 99 208 67 148 > 25 1 -0.18 10 0.27 12 0.27 13 0.1 14 0.28 17 -0.15 18 0.31 19 -0.15 2 -0.68 20 0.16 21 -0.15 22 -0.15 23 0.18 3 -0.81 31 0.4 4 -0.87 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.4 5 -0.62 8 0.37 9 0.27 > 9 > 8 1 2 acceptor 1 2 donor 1 3 cation 1 4 cation 1 4 donor 1 5 acceptor 6 16 18 19 21 22 23 rings 6 5 13 16 17 18 20 rings > 23 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 00000E4400000002 > 63.8348 > 40.627 > 11370993 70 17903911498221629501 11578080 2 17845918680901969817 11582403 64 16740823930642966981 12363563 72 18334578993236316844 12539773 59 17845951618889169395 12553582 1 18266200360804594430 12596599 1 17917164796544812310 12824470 246 17988645241778719925 13383661 66 16544145592937815438 14142880 1 17983863272166838977 14787075 74 17415834953963450576 17138139 8 17053294178599512693 17492 54 18262523700995099686 192875 21 18411136918226021522 19433438 48 18127701435005089986 19930381 70 18190174775320641149 23402539 116 18270396075712511166 23419403 2 17678485110595375275 23728640 28 17400922994888414056 238 59 18187926239228166692 3323516 105 18261947553007961351 6287921 2 17559976332718027678 > 454.39 7.81 3.79 1.96 0.7 1.11 0.86 -6.6 -2.97 3.33 -0.38 -1.66 0.5 -1.55 > 928.093 > 264.8 > 2 5 10 $$$$