10202136 -OEChem-04252410513D 48 49 0 1 0 0 0 0 0999 V2000 1.0092 1.4036 -0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 0.9564 0.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 3.9132 -1.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 3.7121 2.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 2.0675 -2.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 1.5500 2.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 -2.8783 1.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -3.7656 -0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 2.7492 -0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 1.6200 0.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 2.5356 -0.3003 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0945 2.2614 0.5422 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1438 2.7815 -1.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 2.4475 2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 0.3957 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2818 -0.6342 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 1.6538 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 0.7687 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 -0.6630 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -1.5518 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 0.2726 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -1.0346 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -1.8449 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 -2.8699 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 -0.9093 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 -2.3526 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 -1.9680 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9707 -3.2702 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7061 -4.0572 1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 -3.2894 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 3.4329 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 3.0029 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.5850 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -1.2176 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7295 1.0872 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4038 -0.3353 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0225 -1.0045 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0011 -2.6645 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 -2.8569 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 -4.2956 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 4.0727 -2.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 3.8078 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1808 -4.7743 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 -3.8619 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -4.5228 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 -4.1336 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0117 -2.9659 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -2.5138 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 41 1 0 0 0 0 4 14 1 0 0 0 0 4 42 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 23 1 0 0 0 0 7 29 1 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 35 1 0 0 0 0 22 26 2 0 0 0 0 22 36 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > 10202136 > 1 > 1 290 286 22 244 318 39 268 297 294 292 44 288 130 331 327 216 154 245 149 58 320 260 204 14 107 34 339 173 70 329 250 211 295 67 123 129 56 273 233 234 300 241 134 32 271 109 336 305 301 220 261 150 285 93 256 168 328 237 314 296 153 298 202 265 190 114 127 87 41 272 194 307 184 231 258 162 212 264 337 236 102 230 110 50 282 283 325 122 304 120 310 158 181 55 274 223 251 165 160 128 193 222 54 95 3 191 133 45 332 13 253 113 330 257 340 289 205 266 219 121 167 221 65 136 68 226 66 135 103 280 299 15 198 79 269 267 338 316 92 291 186 321 235 2 284 319 326 229 334 8 72 155 262 249 142 293 177 62 232 303 217 176 278 138 157 242 306 132 254 302 90 116 238 275 208 180 308 5 51 105 243 263 323 287 171 172 277 199 80 111 276 144 94 324 246 312 322 214 64 228 182 170 119 169 174 207 317 200 195 75 19 279 218 60 248 161 189 98 83 137 141 145 152 335 209 148 85 24 239 147 91 82 104 187 61 97 48 125 12 49 270 42 37 188 77 143 73 210 88 23 259 101 46 78 53 47 164 252 333 112 76 38 117 201 124 63 175 315 106 183 7 59 224 185 57 215 99 240 86 74 28 30 213 311 203 131 84 96 29 27 126 179 151 159 146 313 52 69 108 25 196 11 156 26 40 118 10 139 6 33 309 100 163 206 18 225 17 192 9 35 197 255 16 178 89 43 227 81 31 71 247 166 281 140 4 20 115 36 21 > 40 1 -0.43 10 -0.57 11 0.34 12 0.34 13 0.66 14 0.66 15 0.09 16 0.09 17 0.63 18 0.63 19 -0.15 2 -0.43 20 -0.15 21 -0.15 22 -0.15 23 0.08 24 0.08 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.28 3 -0.65 30 0.28 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.65 40 0.15 41 0.5 42 0.5 5 -0.57 6 -0.57 7 -0.36 8 -0.36 9 -0.57 > 11 > 12 1 10 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 3 5 13 anion 3 4 6 14 anion 6 15 19 21 23 25 27 rings 6 16 20 22 24 26 28 rings > 30 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 009BAC1800000001 > 90.9683 > 61.022 > 10928967 22 17974868167973078610 11513181 2 17774728541429687055 11552529 35 18269556031696123912 12156800 1 16960635808423351095 12788726 201 18202013117784108490 13631057 29 18412827989074617518 14117953 113 17762332518340875511 14840074 17 18118144496842114221 15968369 26 16610522036048731239 19319366 153 17761214714368303495 20602899 9 17833535813319520397 20764821 26 17040636089782540430 20775530 9 18412820317598745903 21033648 29 14547921476276469715 23559900 14 17622440963071952017 3027735 51 17980183202754522261 46194498 28 17170666968066872741 463206 1 18123758813661901771 469060 322 17967248694220859780 66674814 147 17897158242201350074 > 558.69 9.28 5.87 1.85 1.61 0.81 -0.47 9.04 0.38 -0.58 -0.05 0.14 -1.76 -2.47 > 1188.496 > 308.2 > 2 5 10 $$$$