43738502 -OEChem-04182422023D 33 34 0 0 0 0 0 0 0999 V2000 -1.9077 -2.3725 -1.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 0.4692 0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 0.4234 -1.2391 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 -3.4306 0.2357 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 0.7667 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 -0.1851 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 1.4103 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 -1.5447 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 2.0294 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 0.1260 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3615 0.7944 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 2.3406 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 1.3889 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 -2.4701 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 0.6402 1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1901 0.0685 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -0.1287 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8435 -0.3259 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 2.3065 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 1.7329 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 -0.4638 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -1.4619 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 -2.0423 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1018 2.8026 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4541 -0.6044 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 3.3238 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1686 1.6310 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 0.9514 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0695 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 -0.4193 -2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 -0.7737 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -3.4993 1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 -4.1135 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > 43738502 > 0.6 > 1 172 192 129 267 21 254 235 104 181 277 102 75 107 161 171 196 44 154 265 246 275 203 259 256 155 135 257 218 209 80 269 65 141 50 41 78 272 175 133 195 231 263 180 159 118 13 239 202 219 113 81 276 236 39 242 15 115 169 162 54 232 170 29 262 150 247 224 95 153 17 205 194 241 273 38 60 251 36 5 134 149 110 216 77 56 217 222 248 252 82 245 228 64 226 152 184 120 4 260 214 114 157 229 74 27 264 187 197 211 206 8 250 182 132 16 253 178 225 83 19 185 244 117 124 96 71 274 18 123 91 85 227 191 183 127 28 220 48 151 109 165 90 89 238 105 61 243 63 94 201 37 230 11 47 99 198 23 148 147 204 126 14 233 92 255 46 188 213 25 130 237 266 176 223 6 156 270 35 7 167 186 189 128 177 160 249 139 10 158 88 145 40 234 31 122 168 69 136 93 173 164 208 73 67 116 142 87 100 268 258 34 20 55 42 97 112 43 140 32 101 79 66 62 33 199 111 59 51 143 58 146 240 9 12 2 200 121 76 106 138 72 45 179 53 137 108 144 3 52 261 30 210 207 26 221 271 68 98 131 24 215 22 70 163 190 57 193 125 119 86 212 174 166 84 49 103 > 29 1 -0.57 10 -0.15 11 0.17 12 -0.15 13 -0.15 14 0.57 15 -0.15 16 -0.15 17 0.16 18 -0.15 2 -0.87 21 0.4 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.62 30 0.15 31 0.15 32 0.37 33 0.37 4 -0.8 5 0.1 6 -0.14 7 0.51 8 0.2 9 -0.15 > 5 > 7 1 1 acceptor 1 2 cation 1 2 donor 1 3 acceptor 1 4 donor 6 3 11 15 16 17 18 rings 6 5 6 9 10 12 13 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 029B658600000001 > 55.4768 > 35.521 > 10366900 7 17203332200134561696 10616163 171 18334581265147721290 12236239 1 17313108531456699096 12346177 29 18271800258933716607 12500047 106 18412540994664115336 12553582 1 17617103941503159203 12592029 89 18262808363132780819 12670545 47 17703514376015493124 13004483 165 17697301173151335551 13544592 145 18201445723019460262 13931106 250 17987222507907630295 14251751 93 18408039602586845939 14386348 63 17989211438932976444 15006816 218 18194683665915378554 15042514 8 18336271257886011003 15375358 24 18060135427671310004 15669948 3 18261678172100077684 16752209 62 18335691767438311819 17804303 29 18409732876005163313 20279233 1 17989489615169198844 20645476 183 17458637725913724073 20645477 70 16845294896003292468 20681677 155 18333736814732388264 23184049 29 18194117657992487992 23402539 116 18341323436337542269 23419403 2 15767499898360030571 23557571 272 18199743820674826648 23559900 14 18272374166245690572 23598288 3 17969524751688020541 23598291 2 17604157024713975188 23728640 28 18408885165604300747 3298306 158 18266739073862101071 465052 167 17751102377916996441 532947 4 18053946147442714151 5364581 5 18053363669238512208 5385378 56 18051137995473147273 559249 180 18115302259801102786 58051976 100 18113903762145594612 59755656 215 18410572852150562303 602551 16 18411414034216751434 69090 78 18412259532477374089 81228 2 18124023800749299299 90525 40 18260267425772484305 9709674 26 18201154463859335892 9862522 239 18042671815694228733 > 349.62 8.87 2.77 1.09 7.62 2.4 0.03 -2.18 -0.28 -3.08 0.42 0.79 0.17 0.13 > 741.243 > 193.8 > 2 5 10 $$$$