65568 -OEChem-05122401273D 39 38 0 1 0 0 0 0 0999 V2000 0.5971 -1.1696 -0.7491 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -0.6942 0.3541 P 0 0 1 0 0 0 0 0 0 0 0 0 2.6071 0.9015 0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -1.2103 1.7641 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1862 -0.0665 0.1797 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.6862 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -0.4099 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 1.3785 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -0.3529 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 -1.4135 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 2.0294 1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 -1.8495 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 -1.0930 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 1.5855 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 3.0506 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 -0.3207 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2049 -1.7749 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 -0.7968 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 0.6491 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 1.8604 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 1.6146 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5378 0.1117 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2973 0.0267 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -1.0798 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 -2.5010 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 2.1062 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.4940 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 3.0536 1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -2.3034 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 -2.3714 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7474 -2.0369 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 -1.4513 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -0.0139 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 -1.5678 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 1.1685 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 1.4779 -1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 3.6104 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 3.4869 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 3.1735 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END > 65568 > 0.8 > 1 288 101 71 319 233 100 80 132 167 72 102 321 198 277 18 150 271 15 83 258 130 252 181 128 169 262 192 275 253 302 110 50 129 6 280 59 126 84 249 69 154 193 309 144 205 317 176 190 98 125 143 276 43 186 221 247 301 263 87 146 318 49 243 227 297 155 163 179 175 79 142 320 108 53 322 73 99 124 294 156 147 141 8 267 77 88 204 106 57 34 308 203 37 281 11 145 299 104 242 67 291 184 240 28 295 220 188 111 133 81 94 161 148 44 219 165 191 260 212 261 189 194 24 306 213 48 166 180 123 82 75 122 131 118 30 86 45 172 257 270 153 160 54 85 216 32 5 264 256 215 7 177 207 211 2 51 286 139 244 218 272 278 26 265 89 217 92 135 78 4 285 312 159 214 223 140 273 289 134 93 245 307 199 232 91 195 27 266 23 269 21 251 17 305 226 12 151 255 250 41 127 182 90 304 254 113 105 197 16 210 206 9 238 112 3 315 224 33 313 158 230 117 10 14 107 300 58 246 200 63 303 274 296 96 109 114 149 138 201 236 65 225 19 209 237 314 137 97 222 279 202 162 68 95 20 152 70 60 66 116 235 52 196 115 55 234 119 241 239 42 208 46 121 39 259 136 120 103 290 229 76 185 171 287 36 311 174 64 61 164 178 183 25 298 29 62 56 47 231 38 170 228 187 157 31 292 168 268 248 173 13 74 40 284 22 35 283 282 316 293 310 > 10 1 -0.48 14 0.28 2 1.22 3 -0.55 4 -0.7 5 -0.81 6 0.27 7 0.23 8 0.27 9 0.27 > 9 > 1 1 5 cation > 15 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0001002000000001 > 5.9473 > 5.074 > 10366900 7 17240483589402572994 11615757 297 18260543420471230031 12162725 195 18412265030003786471 12507557 5 18409443657312869397 12670545 47 16515406299948191075 12916754 54 18408321099196362943 13583140 156 17750243504559131521 13675066 3 17632570531153077470 17834072 33 18409166653355078494 18186145 218 18187079538123694603 20233049 118 17703503299342167002 20671657 1 18336269041339877908 21503847 285 18334582308766602416 21709351 56 18411695457094874151 23402539 116 18342734066231065390 23532345 12 18343021064693792272 23557571 272 17560518413562007089 23559900 14 17987521407635355911 23598291 2 18408890624328366205 312423 11 18410300228531658357 474 4 17823136907274123860 9971528 1 18341049619450699638 > 299.67 11.01 2.61 1.08 3.81 2.08 -0.25 -1.05 -0.07 -0.88 0.33 -0.24 0.02 -1.99 > 518.164 > 201.3 > 2 5 10 $$$$