3328704 -OEChem-04232421283D 46 45 0 1 0 0 0 0 0999 V2000 0.2865 2.5362 1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1341 0.2465 -1.6026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4615 0.2421 0.2074 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5003 -2.0094 -0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.5453 1.5293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -2.7822 -0.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2238 2.7532 -0.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 4.4315 0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 0.4990 -0.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -1.6013 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3718 -2.6054 0.5864 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -3.8402 -0.7813 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 2.1112 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 3.1649 -0.1242 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8084 0.7426 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 2.7751 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8157 -0.3169 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 -0.8749 -0.1237 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6266 2.4386 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6804 -1.6757 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 0.9461 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8694 -0.9608 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -2.0746 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -2.6002 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 1.9983 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0931 2.4451 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 3.3290 -1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 0.3961 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 0.8370 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 0.0050 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -0.4091 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -1.3006 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 2.9478 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 2.9516 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9935 2.7930 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 4.7413 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 5.1536 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4175 1.1600 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 -2.6089 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -1.1063 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4355 0.1622 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -1.7962 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9077 -3.4535 0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 -1.7736 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -4.6343 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 -3.9954 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 2 0 0 0 0 3 22 1 0 0 0 0 3 41 1 0 0 0 0 4 22 2 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 23 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 24 2 0 0 0 0 11 24 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 24 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > 3328704 > 1 > 1 274 200 97 95 24 243 50 27 31 155 340 222 304 10 328 70 59 67 300 152 47 122 303 133 320 72 192 126 213 46 318 154 143 18 271 100 227 260 36 247 288 263 71 250 226 333 32 105 157 14 44 308 307 113 156 302 287 112 176 164 293 108 276 77 212 245 23 254 232 124 236 117 160 292 146 57 289 309 210 277 275 298 256 239 53 249 19 221 129 180 91 158 208 203 132 272 321 106 144 43 49 224 148 188 322 51 17 311 33 151 312 35 40 228 130 231 7 339 217 56 75 261 237 118 242 128 60 244 196 161 168 310 165 39 38 317 305 162 127 186 177 123 257 62 170 234 334 30 301 327 13 269 15 81 209 283 325 86 299 326 89 219 115 173 273 195 279 204 199 84 159 169 225 73 48 104 187 25 206 63 268 6 42 248 175 193 251 253 135 220 223 87 20 16 259 324 54 111 331 258 264 121 198 297 80 278 290 323 116 189 98 265 64 270 332 240 246 8 125 149 294 94 201 58 183 280 153 205 110 335 178 138 120 172 191 12 69 216 79 101 92 179 230 147 190 197 207 65 82 330 214 45 285 9 329 266 291 61 11 136 137 114 319 2 134 262 21 315 76 174 131 34 93 163 316 140 99 4 103 139 211 167 102 85 29 336 296 218 74 286 314 22 184 150 235 284 181 282 5 337 28 68 185 295 166 313 145 215 141 171 52 83 255 241 142 338 238 281 78 37 119 3 233 267 41 26 194 202 88 90 96 182 107 306 252 229 66 109 55 > 32 1 -0.57 10 -0.7 11 -0.85 12 -0.85 14 0.33 16 0.57 17 0.25 18 0.36 19 0.36 2 -0.57 20 0.06 21 0.57 22 0.66 23 0.66 24 0.55 3 -0.65 33 0.37 36 0.36 37 0.36 38 0.37 4 -0.57 41 0.5 42 0.5 43 0.4 44 0.4 45 0.4 46 0.4 5 -0.65 6 -0.57 7 -0.73 8 -0.99 9 -0.73 > 13 > 15 1 1 acceptor 1 11 donor 1 12 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 donor 1 8 cation 1 8 donor 1 9 donor 3 3 4 22 anion 3 5 6 23 anion 4 10 11 12 24 cation > 24 > 0 > 2 > 0 > 0 > 0 > 1 > 8 > 0032CAC000000001 > 39.0682 > 76.299 > 114674 6 18262234529695262498 12107183 9 18199480874482741969 13402501 40 18262518220843449112 13533116 47 18199190770868695153 13583140 156 17125368252970689329 14617045 38 18191876836057364588 14725015 67 18263635186933758866 14866123 147 18123192295076032153 15635459 17 18263925604095637624 17859628 70 18339643459615986980 19930381 70 18411135865774599559 20832881 197 18408889503742588193 21279426 13 18261947462982511853 23559900 14 18337672035119347240 3421961 26 18412261770160960756 345986 75 17775012288201042337 6433294 58 18337673122036113028 > 428.81 10.32 5.32 1.04 3.66 1.53 -0.06 -9.07 -0.04 -6.55 -0.22 0.1 0.05 1.23 > 840.517 > 253.3 > 2 5 10 $$$$