69873444 -OEChem-05102419303D 59 62 0 1 0 0 0 0 0999 V2000 -3.3584 -0.0713 1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -1.1228 -0.5956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 1.0152 -0.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 0.6146 -0.1665 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5765 -0.9250 -0.8319 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3823 -3.5642 1.1882 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2055 0.6928 0.7887 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 -0.3220 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 2.0353 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -0.4649 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 1.9707 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 1.1222 -0.5231 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2511 0.4144 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 2.4714 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.0013 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8264 -0.6473 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 1.2763 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8915 3.0033 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 3.1818 0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -0.8473 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4349 1.0762 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 -2.0904 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 4.2456 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 4.4240 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 0.0143 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 4.9559 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 -3.2610 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 -0.1947 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -3.9600 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 -5.0397 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.6198 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 -5.3825 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -0.5272 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 -1.1135 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 3.0595 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0449 1.8881 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.4528 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 -0.4310 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 2.2738 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 2.6874 -0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 0.9933 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.3211 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 2.1043 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 2.4588 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 2.7865 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 -0.8048 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -1.6797 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 1.7813 1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 -2.3373 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -1.8406 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 4.6594 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 4.9744 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5502 5.9223 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -3.6842 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8479 1.4744 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2126 0.5723 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 -5.6128 -1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -4.8456 2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -6.2200 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 28 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 27 1 0 0 0 0 6 31 2 0 0 0 0 7 28 1 0 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 2 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 44 1 0 0 0 0 19 24 2 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 27 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > 69873444 > 1 > 1 96 167 193 118 143 214 111 134 94 276 256 33 161 51 192 259 44 115 109 204 29 268 158 253 152 97 171 281 224 280 283 132 119 92 20 166 252 235 229 149 145 212 230 102 50 254 274 25 213 124 176 21 104 186 163 285 45 190 240 255 261 168 156 100 260 265 146 233 35 264 86 249 221 173 136 245 138 236 169 78 84 4 211 81 70 95 187 65 241 116 180 61 15 26 71 275 208 217 142 220 63 91 64 59 56 77 185 108 183 238 88 18 23 103 191 246 22 135 72 150 42 60 123 55 6 269 250 239 67 172 12 257 52 228 40 278 37 133 200 54 43 272 231 227 223 181 41 273 151 144 120 39 177 32 266 222 141 30 101 258 126 127 154 87 157 164 139 160 205 7 98 148 286 182 58 277 5 121 27 242 188 226 3 263 122 206 147 83 76 234 8 57 93 140 46 216 82 117 174 262 68 198 48 110 131 237 189 199 267 75 215 107 16 162 69 13 106 90 38 19 80 184 2 31 74 137 207 105 251 155 165 159 11 112 24 128 47 243 179 203 232 129 34 85 130 209 17 170 196 248 53 62 99 219 284 153 202 247 197 10 195 113 14 114 201 73 125 79 9 178 175 66 89 194 218 271 210 282 279 244 270 36 225 49 28 > 48 1 -0.57 10 0.37 11 0.37 12 0.47 13 0.1 14 -0.14 15 0.57 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 0.44 23 -0.15 24 -0.15 25 0.09 26 -0.15 27 0.17 28 0.54 29 -0.15 3 -0.81 30 -0.15 31 0.16 32 -0.15 4 -0.84 42 0.15 43 0.15 44 0.15 45 0.15 46 0.37 47 0.15 48 0.15 5 -0.73 51 0.15 52 0.15 53 0.15 54 0.15 55 0.37 56 0.37 57 0.15 58 0.15 59 0.15 6 -0.62 7 -0.8 8 0.27 9 0.27 > 9.2 > 11 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 5 donor 1 6 acceptor 1 7 donor 6 13 16 17 20 21 25 rings 6 14 18 19 23 24 26 rings 6 3 4 8 9 10 11 rings 6 6 27 29 30 31 32 rings > 32 > 0 > 1 > 0 > 0 > 0 > 1 > 4 > 042A2F2400000001 > 103.6622 > 55.824 > 10290309 65 17903636280865089213 10319688 45 18267305528604106035 10411042 1 18122904497954979903 10816530 145 18130799961841329369 10940486 97 18334021587970299892 11056379 131 18410853278453651993 11135609 187 18119802509713542765 11227688 84 17765704007670452213 11377469 6 17531248421703442397 11434127 23 18342733022859812422 11763715 3 17830476211750975189 12977781 61 17916322566918352662 13782708 43 18272934968868490050 14659021 117 18338510949463988035 14844126 61 18408888473029604323 15230672 131 18192714450098241030 15400415 2 18122626055014358996 15439362 3 17544756734148363845 15927050 60 18267302036759063559 16993438 75 18272364278350235134 17980427 26 17548406017525215005 19611394 137 18272367629358240016 21133410 171 17472642278558811122 21716022 299 17318184079389076869 21796203 349 17253183185074832811 23929065 36 18267849735599322840 283562 15 18411695449465015453 3383291 50 18410293593250746137 4073 2 18412544280841682460 4144715 1 18412548730454616752 4409770 3 18409725175914285061 44802255 64 17749944432901098925 4516262 110 17906731398294068125 4616759 239 18200863016586035776 504843 32 18335421214573939181 59755656 520 18265328417692514756 6669772 16 18051698742139585117 6673363 416 17906185297739858148 68570916 9 18261675965647560564 79837 15 18339931420008716625 9896288 288 18336836299345723675 > 621.9 16 7.88 1.11 44.81 5.96 -0.14 -3.3 0.04 -18.95 -1.13 -0.72 0.29 0.96 > 1340.612 > 339.1 > 2 5 10 $$$$