195 -OEChem-05052417313D 49 51 0 1 0 0 0 0 0999 V2000 5.0661 -2.8684 -0.3738 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 0.8110 -0.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5796 3.9286 -0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 1.2503 2.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6678 -1.3235 -0.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -2.7489 0.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -3.4454 0.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 -3.6543 -1.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 -1.4749 2.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5347 0.7673 2.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -1.0537 -2.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9293 -1.7849 -2.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 1.8546 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4315 2.1840 -1.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 -0.1674 0.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 0.2913 -0.0632 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6476 -0.8944 0.8373 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 2.8844 0.2565 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5650 1.8798 1.0395 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1919 2.0782 -0.9245 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9814 0.8821 -0.0347 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3113 -0.5132 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 0.8352 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 2.6384 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 1.0573 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 0.1442 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -0.6181 0.4876 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3027 -0.9843 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8214 -0.4546 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -0.3302 1.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -1.1705 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 3.3515 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4368 2.3084 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 2.5727 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 1.2794 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 -0.9670 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 -0.4735 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 4.3907 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 1.9346 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 3.5233 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8356 1.1102 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -1.6496 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0524 -1.8274 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0536 0.6038 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6224 -0.8849 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7199 -3.5595 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 -4.3991 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9749 -1.3098 3.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1096 -1.5162 -3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 22 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 9 30 1 0 0 0 0 9 48 1 0 0 0 0 10 30 2 0 0 0 0 11 31 1 0 0 0 0 11 49 1 0 0 0 0 12 31 2 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 23 2 0 0 0 0 15 28 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 26 1 0 0 0 0 17 28 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > 195 > 1 > 1 254 306 51 235 272 293 186 109 317 114 234 129 94 245 216 43 4 19 52 321 240 261 185 92 290 64 212 125 283 213 187 7 80 242 116 157 83 197 314 45 311 297 86 325 140 167 113 30 318 32 118 171 66 229 265 136 26 2 322 122 85 79 215 241 308 189 132 141 97 162 287 77 210 99 304 165 301 253 305 8 39 274 200 10 106 101 60 270 133 225 199 148 172 183 224 91 295 231 107 161 236 130 232 220 313 93 76 41 96 195 35 296 207 71 319 24 289 49 203 238 228 312 58 284 168 316 267 63 204 174 65 143 280 145 202 42 239 46 298 20 181 18 259 98 54 153 268 150 303 288 142 323 292 128 273 87 299 278 44 15 188 134 152 218 131 13 103 55 244 209 320 264 111 16 124 17 281 194 184 31 291 177 23 37 258 324 277 62 246 89 25 211 170 282 260 169 73 50 227 84 68 193 160 300 269 191 6 5 105 144 14 294 59 201 119 276 275 166 29 247 190 126 221 233 256 33 100 9 3 196 95 21 223 146 285 57 205 12 110 151 192 182 81 249 251 27 72 67 75 90 135 82 226 252 40 266 104 179 198 34 11 156 22 47 250 28 206 38 310 255 56 149 286 139 102 262 155 48 123 127 176 307 36 302 214 117 159 147 164 70 61 208 138 237 74 112 243 108 158 53 271 120 163 309 175 69 230 219 263 137 88 222 115 217 78 279 178 173 121 315 154 257 180 248 > 40 1 1.51 10 -0.57 11 -0.65 12 -0.57 13 0.05 14 -0.57 15 -0.57 16 -0.87 17 -0.62 18 0.28 19 0.28 2 -0.56 20 0.54 21 0.28 22 0.28 23 0.11 24 0.04 25 0.23 26 0.41 27 0.43 28 0.47 29 0.06 3 -0.68 30 0.66 31 0.66 38 0.4 39 0.4 4 -0.68 40 0.15 41 0.4 43 0.15 46 0.5 47 0.5 48 0.5 49 0.5 5 -0.55 6 -0.77 7 -0.77 8 -0.7 9 -0.65 > 10 > 23 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 16 cation 1 16 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 11 12 31 anion 3 13 14 24 cation 3 13 15 23 cation 3 15 17 28 cation 3 9 10 30 anion 4 1 6 7 8 anion 5 13 14 23 24 25 rings 5 2 18 19 20 21 rings 6 15 17 23 25 26 28 rings > 31 > 0 > 5 > 0 > 0 > 0 > 1 > 3 > 000000C300000001 > 30.9375 > 117.491 > 10693767 8 18337376215232079815 10912923 1 17631743776087588529 11796584 16 16950558930563104953 12107183 9 18056210080860686409 12147406 95 17751898282169705330 12236239 1 18200313346813716165 12422481 6 18059017176821796719 13533116 47 18343863342066507784 1361 2 18412259528304564094 1361 87 17749403554346690035 13631057 29 18119536432547768902 13911852 28 18339642214233557910 13955234 65 18340213007098215088 14866123 147 17974294218001698888 15081414 286 17969513777730873900 17349148 13 18268439091207189497 20775530 9 18264492780776997650 21279426 13 18041269985861361709 21682296 61 18336550434627852627 22182313 1 17968364715091485596 23559900 14 17749116611775929662 23569914 152 17542189421704822103 23569943 247 18337387115954243611 239999 70 17459190840793613640 32027 91 18334577936231783266 508706 21 17603863365374092101 5309563 4 18267864982939425822 5326457 24 18200305666874569335 > 552.35 15.47 3.85 1.94 10.89 0.56 0.52 13.07 -2.03 -8.42 -1.09 3.26 0.46 0.34 > 1161.948 > 312.6 > 2 5 10 $$$$