62024134 -OEChem-05112416413D 38 40 0 0 0 0 0 0 0999 V2000 -0.2633 0.0762 -1.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1798 -1.0158 -1.2363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6605 1.2888 0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5734 0.2601 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 0.7835 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3078 1.1846 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 2.4414 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 2.1608 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -1.0801 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 -1.9083 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -0.0706 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 0.5037 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 -1.4136 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0736 0.3520 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 -3.3455 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 -0.2684 -0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 0.8308 1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3078 -0.4102 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 0.6894 1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 0.0686 0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5356 -1.1274 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 0.6231 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 2.2019 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 3.3646 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 2.8709 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -1.4633 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 0.3020 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6058 -2.0665 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -3.9712 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -3.7200 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -3.4694 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 -0.6478 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 1.3185 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 1.0623 2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7816 -0.0081 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0875 -1.6338 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9978 -0.1434 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6236 -1.7525 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 62024134 > 0.6 > 2 102 196 280 41 149 325 251 273 179 288 248 92 244 20 81 220 275 168 223 266 262 218 224 132 247 253 217 297 107 203 204 294 272 46 161 89 259 64 166 320 193 181 285 292 219 55 210 239 103 234 289 252 263 100 202 274 83 315 173 229 188 257 222 119 97 313 322 319 281 139 243 130 215 323 225 115 56 74 286 282 221 287 142 140 114 34 305 235 147 112 39 154 226 31 144 250 127 172 265 109 27 249 18 304 278 153 44 200 238 279 155 137 329 296 135 212 302 17 197 66 198 308 76 110 309 151 327 71 245 271 269 232 91 293 230 324 214 128 290 261 73 11 117 90 79 28 59 6 158 126 145 32 195 240 84 216 180 256 178 163 152 283 316 37 318 258 295 141 8 129 237 43 228 70 58 206 284 96 255 35 175 118 40 328 246 326 12 241 94 169 165 184 111 314 146 311 312 317 52 78 68 201 86 108 291 106 207 321 62 98 25 307 231 133 242 143 176 277 88 47 299 298 171 45 93 233 156 124 300 33 162 49 42 187 164 301 87 260 51 85 227 138 191 125 23 53 80 199 160 30 208 303 16 306 101 123 276 121 159 157 186 63 170 7 192 65 150 38 254 54 189 167 194 21 104 131 136 26 57 13 190 116 95 67 310 148 1 236 213 69 182 48 24 209 29 183 174 134 5 77 60 22 267 211 122 99 205 113 9 72 177 268 61 82 270 36 185 75 105 4 264 3 10 14 120 15 19 50 > 29 1 -0.57 10 -0.14 11 -0.15 12 0.42 13 -0.15 14 0.09 15 0.14 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.36 20 -0.15 21 0.28 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 3 0.05 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.15 6 0.32 7 -0.3 8 -0.15 9 -0.15 > 4 > 6 1 1 acceptor 1 2 acceptor 1 3 cation 5 3 4 5 7 8 rings 6 14 16 17 18 19 20 rings 6 4 5 9 10 11 13 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03B269C600000002 > 57.7921 > 30.539 > 10366900 7 17967258589456387184 10498660 4 14779550075529087132 10554248 39 12252717359038102299 10912923 1 18059864977917872537 12107183 9 17908711626791721489 12236239 1 18131918160607675344 12553582 1 18338232657669998954 12596602 18 17561081402043716018 12670546 56 18202565094149199801 12839892 36 17275103908143027631 13167823 11 18343866632232885567 13533116 47 18412824716024818419 13675066 3 13973966502018978409 13836976 161 18260270780785482014 13911852 28 18192711133760846778 14251740 57 17774444871951456470 14386348 63 16950288411757627609 14573314 32 17676202459910497653 14576447 43 18411138009548361898 14767858 380 18116738248411345470 14863182 85 18336834105050503862 15183329 4 18336538336274653341 15188451 53 17274811450945444703 15250474 111 18343298180458643263 17349148 13 17632857542716848061 17818456 19 17771358473575808904 17844677 252 18334016086116972541 17857418 61 18343862212701098891 1813 80 18340217275936491692 18681886 176 17060063687546737708 200 152 18342455954683193865 20028762 73 18272646814485165142 20645477 70 18187075161457100366 21065198 48 18201725054533521449 21065201 7 16199885980871160201 21285901 2 17458334226212903222 22061861 79 18040431092827825687 221357 26 18186795868561465117 2215653 11 17603583028516059847 22224240 67 18341322406046466904 2255824 54 18337960081934266380 22646028 1 18202565081464471993 23557571 272 16588296168406402604 23559900 14 18115027523106177857 23569914 152 17105049978327658663 23596394 208 17603579699352000530 239999 70 17240766220052696160 2838139 119 10158606144576742963 2871803 45 17894910707121209040 3004659 81 18343018891255685255 314194 84 18337115574951408738 3411729 13 16199008695467968592 345986 75 18199464368558835608 34797466 226 16153721941733780871 351380 3 18202563964551539550 3633792 109 18408875240488403757 42630746 31 18410853304935852584 465052 167 18201721781689275439 474 4 18124593351989281768 5104073 3 17274828003981454227 5281201 14 17894630335809032908 573450 72 17703795795226155513 59682541 52 18188755211636400135 602551 16 16128649777842855966 6025842 7 18335138752081973388 7970288 3 18122904235983671430 960060 61 18040719164404583926 > 415.45 13.23 2.38 1.19 13.02 0.95 0.17 5.5 -2.12 -3.94 0.24 1.33 -0.02 -1.84 > 908.096 > 226.9 > 2 5 10 $$$$