11384503 -OEChem-03282407553D 59 63 0 0 0 0 0 0 0999 V2000 5.1638 2.3993 0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2715 1.9924 0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 -0.3954 0.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 -2.2115 0.2474 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -0.1175 0.0113 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 0.1110 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 -0.3023 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -1.7017 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2159 -0.8510 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2503 -2.2062 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4227 -0.8805 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -2.1322 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 -1.5938 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 0.2549 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 0.4370 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -0.7848 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4285 -2.7457 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3957 0.5091 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 1.5219 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1466 0.7681 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -0.1318 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 1.8242 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.6884 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 1.6420 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6734 -1.9077 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 2.6426 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 2.0739 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7938 0.6421 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0599 -1.7547 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6192 -0.4819 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7602 2.6919 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -0.8841 2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 0.7189 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -1.6342 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -2.4273 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6847 -0.1783 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8504 -0.8551 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1635 -3.2221 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6883 -1.5777 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -2.7717 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7776 -2.6939 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 -1.9363 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.9123 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0545 -2.7833 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9473 -2.1463 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3487 -3.7739 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 2.4271 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -1.2099 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 2.6408 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 -0.9035 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -2.9150 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 3.7241 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 2.7792 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2547 1.6275 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7022 -2.6302 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6987 -0.3623 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 3.1308 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 3.4139 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 1.7785 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 31 1 0 0 0 0 2 20 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 6 23 1 0 0 0 0 6 50 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 25 2 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 24 1 0 0 0 0 18 28 2 0 0 0 0 19 24 2 0 0 0 0 19 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M END > 11384503 > 0.8 > 2 83 186 80 146 107 198 168 144 32 106 162 65 188 66 75 155 33 141 120 9 99 156 195 26 118 30 157 169 199 13 114 19 104 59 98 160 171 85 53 79 78 152 21 38 138 174 203 44 134 131 95 140 76 161 135 25 90 201 48 109 82 60 103 57 92 97 150 173 148 179 31 133 58 88 175 50 167 93 69 28 119 147 126 124 149 151 108 67 72 136 172 163 180 122 100 170 194 102 187 52 91 137 46 45 24 184 41 111 15 68 74 197 4 139 115 189 11 116 84 125 177 42 113 56 165 10 7 14 77 70 182 164 71 181 166 127 129 27 154 130 183 23 20 34 61 47 94 54 36 81 202 178 121 89 159 35 12 29 158 190 55 105 5 63 112 185 96 1 196 110 51 153 73 64 43 6 62 39 22 176 40 145 142 143 37 101 49 200 192 132 18 87 86 123 8 16 193 117 17 3 128 191 > 39 1 -0.36 10 0.27 11 -0.14 12 0.14 13 0.3 14 0.12 15 0.1 17 0.27 19 -0.15 2 -0.57 20 0.69 21 -0.15 22 0.08 23 0.12 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.84 30 -0.15 31 0.28 4 -0.81 47 0.15 48 0.15 49 0.15 5 -0.48 50 0.37 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.55 7 0.37 8 0.37 9 0.27 > 6.8 > 10 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 6 donor 5 5 11 12 13 14 rings 6 11 14 16 18 19 24 rings 6 15 21 22 23 26 27 rings 6 16 18 25 28 29 30 rings 6 3 4 7 8 9 10 rings > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00ADB6B700000002 > 125.0069 > 50.857 > 10 15 11095880462742431839 10119406 146 18187366550089489859 10299344 5 18408604781744169409 10411042 1 18338517427372162664 10580692 12 18411699902248738609 11456790 92 17988653999818190465 11524674 6 16630529579231080743 117089 54 17628088793764527606 11719270 70 17989208144392789870 11991303 11 14707218737629545449 12166972 35 18260550056602637949 12236239 1 18260546758072450937 12592606 108 18410855443128030530 13248334 5 18265332992650894820 13533116 47 18343582966754483712 13685833 64 18411981347535308930 13811026 1 18412259532202982971 13885169 127 18340767053362385265 14251764 18 18341332284043777861 14347424 109 18343017818094350464 14856354 85 15213020471419505147 15183329 4 18412552015180886297 15419008 91 18265873839911229248 1577012 14 18129941303283537111 1754911 235 11025799794864248531 19301679 30 17916308239144328846 19841028 212 18409728478290780122 20028762 73 18342739585908034678 2026 5 18412543176571760263 21057603 40 14707196683436749784 21130935 74 18270680991047300827 21267235 1 18409449167597544177 21315763 28 18411136944232883777 21792934 111 18273206491514653777 23522609 53 18124346936487983257 23559900 14 18269268127385798105 23569917 315 18262523710640952443 23569943 247 17750787753618434851 23576562 1 13696452031165116339 255183 451 18335707109889909036 3004659 81 18333449833565341112 3103668 31 17969778584156131645 3146122 72 15937274308379910190 335352 9 18410013230258913606 3383291 50 18410291424071196571 4073 2 17969224610509336818 4197921 191 18409735087892468417 54039377 194 18411421675106320782 6138700 20 18408885127540243635 6201320 215 16342868612769098913 6441014 3 17049379436697223590 9831232 110 18340772520824397534 99344 41 18272370841682839567 9962374 69 18411693305933573246 > 606.3 27.77 3.02 0.76 7.41 0.28 0.02 -14.42 -0.07 -4.72 0.41 -0.94 0 -0.32 > 1327.513 > 330.5 > 2 5 10 $$$$