15816 -OEChem-09232116113D 35 34 0 0 0 0 0 0 0999 V2000 7.4962 -0.5452 -0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4739 -0.5876 -0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 1.4401 -0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 1.4422 -0.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -0.5969 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 0.2335 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 0.2029 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -0.6168 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -0.6207 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 0.2132 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 0.2379 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 -0.6359 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1223 -0.6066 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 0.2179 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 0.2220 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -1.2096 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -1.2979 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 0.8213 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 0.9501 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 0.9250 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 0.7931 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -1.3368 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -1.2007 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -1.3189 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -1.2285 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.8150 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 0.9249 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 0.8547 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 0.9328 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 -1.2906 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -1.2512 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 -1.2123 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1673 -1.2756 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3099 0.0023 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3102 -0.0749 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 34 1 0 0 0 0 2 15 1 0 0 0 0 2 35 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > 15816 > 0.8 > 1 93 113 65 4 139 7 312 71 348 84 31 120 223 234 27 94 22 307 127 24 18 67 63 292 278 235 85 212 57 33 227 320 16 217 12 87 48 78 98 186 138 323 355 58 175 38 359 92 289 88 261 61 313 123 62 11 72 333 101 327 90 241 342 167 220 68 218 52 214 181 29 15 228 319 310 74 25 49 46 225 81 165 54 163 146 26 6 91 50 95 13 295 73 145 168 196 283 285 59 270 126 112 184 357 255 53 325 185 321 21 294 125 356 332 3 115 361 149 75 183 64 245 159 134 137 141 239 132 2 317 277 86 100 176 142 211 70 80 187 250 318 105 280 304 244 248 204 238 330 107 190 109 347 116 341 336 40 170 309 254 222 287 173 34 340 23 338 39 193 155 119 297 76 315 296 56 343 140 122 37 205 47 206 203 5 151 96 267 322 224 306 157 215 19 180 114 103 45 55 8 97 243 182 130 298 69 251 268 17 346 162 258 129 108 247 308 339 44 43 260 264 51 275 30 246 331 353 172 111 233 271 352 272 83 257 121 169 201 153 118 232 102 262 200 171 191 131 197 256 209 166 226 104 148 154 349 358 160 42 199 179 158 335 89 274 350 136 9 128 79 28 144 36 195 82 188 177 360 290 35 329 106 208 265 328 207 252 213 174 133 351 152 334 259 231 301 192 337 286 198 266 178 253 110 117 354 143 291 229 20 164 41 311 32 293 284 302 326 303 124 288 230 240 135 249 66 150 345 161 10 77 269 282 219 316 344 156 189 147 14 210 279 263 299 202 216 314 242 281 324 221 237 305 300 276 99 194 60 236 273 > 10 1 -0.65 12 0.06 13 0.06 14 0.66 15 0.66 2 -0.65 3 -0.57 34 0.5 35 0.5 4 -0.57 > 10 > 6 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 1 3 14 anion 3 2 4 15 anion > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00003DC800000001 > 4.6262 > 30.564 > 10066227 49 17346044359860551638 10968037 39 18272932726583993899 12091667 2 18411982464785962051 125118 31 18260268555692521788 13533116 47 17168133500177073802 14123256 10 16272209686592342263 14251764 18 17967530168685932211 14251764 46 18412262835054056034 14729087 3 18260263032474926525 15048467 5 18408603660319829253 17834076 25 18410011039519481323 18006028 8 15913327991906387009 20281389 69 18040713658399272828 20621476 8 18113898234485651110 20767249 213 18410856568229730666 21130983 4 17967535683671918556 21150785 3 17846778516384813735 21315763 28 18410855460149436196 220451 1 16371003023068229282 22224240 67 16370724850441269290 23035841 295 10952050048167542325 23521765 1 18341895190345795786 33684 2 18410854356822850091 42788 4 18410573989446424939 4463277 17 18410292514480491153 57583515 80 18334860519620714427 59567204 34 18339359653253282461 59755656 520 18261386775971076535 8209 1 18411699889363901534 > 285.22 23.63 0.99 0.6 0.16 0.22 -0.01 2.56 1.15 0.01 0.01 0 -0.01 0.04 > 528.431 > 178.4 > 2 5 10 $$$$