56593095 -OEChem-04262417143D 54 58 0 0 0 0 0 0 0999 V2000 -0.8196 0.6771 2.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8108 -0.1969 -1.0742 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.2594 1.9280 -1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.1611 0.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 -0.5472 1.3028 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -0.5452 0.9346 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 1.4747 -0.8325 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.1470 0.9338 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 -1.7705 0.3534 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9596 0.7165 -0.9496 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8593 0.4791 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 0.0601 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 -0.4974 2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 -0.8869 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 0.5737 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5191 -0.3440 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -0.0636 1.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8358 1.9323 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 0.1568 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.3272 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -1.7261 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7244 -0.7553 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 -2.6156 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 3.7787 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4724 -2.1293 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6172 -0.6668 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9249 -1.8281 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -0.3150 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -1.3133 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3327 1.0254 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2587 -0.9718 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6524 1.3671 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6154 0.3685 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 0.4083 2.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 1.5064 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 1.0597 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -0.3065 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -1.5122 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3975 -0.2237 3.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2882 -0.8190 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -1.9212 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 2.6648 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3135 -2.1369 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 -0.3997 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 -3.6829 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3702 4.1926 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4498 3.9371 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7464 4.3286 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -2.8163 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -2.6989 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6917 -2.3654 -0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 1.8247 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9828 -1.7759 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 2.4211 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 26 2 0 0 0 0 9 27 2 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 25 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 M CHG 2 2 -1 10 1 M END > 56593095 > 0.8 > 1 172 84 45 113 140 166 148 129 85 162 43 181 150 120 13 190 25 70 179 115 152 146 22 189 183 16 48 5 108 63 191 67 44 157 192 155 187 32 95 144 49 174 178 165 122 50 97 27 149 135 126 131 96 74 136 87 159 164 156 145 177 94 76 31 79 194 147 90 154 56 53 138 163 86 124 160 10 72 132 59 117 168 188 77 54 34 20 182 176 47 116 69 66 180 99 102 28 8 139 26 105 128 19 107 123 82 73 71 62 75 68 175 114 185 35 119 158 133 161 57 61 24 103 127 78 21 14 92 51 93 171 112 186 29 36 81 111 58 37 121 7 40 153 98 64 142 184 106 3 100 83 167 33 104 170 125 2 41 109 23 91 60 52 173 141 38 6 39 193 143 110 46 89 88 42 12 101 11 134 15 4 130 118 151 65 55 137 169 30 80 18 17 9 > 42 1 -0.57 10 0.91 11 0.37 12 0.37 13 0.3 14 0.3 15 0.1 17 0.64 18 -0.15 19 0.31 2 -0.52 20 0.17 21 -0.15 22 -0.15 23 -0.15 24 0.14 25 -0.15 26 0.23 27 0.14 28 0.05 29 -0.15 3 -0.52 30 -0.15 31 -0.15 32 -0.15 33 0.13 4 -0.84 42 0.15 43 0.15 44 0.15 45 0.15 49 0.15 5 -0.66 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 0.83 7 -0.62 8 -0.71 9 -0.71 > 6.2 > 13 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 cation 1 7 acceptor 1 8 acceptor 1 9 acceptor 5 6 8 9 26 27 rings 6 16 19 21 22 23 25 rings 6 28 29 30 31 32 33 rings 6 4 5 11 12 13 14 rings 6 7 15 16 18 19 20 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 035F8AC700000001 > 119.0212 > 66.146 > 10 15 12396300357125297659 106641 1 7853565816856547407 10669705 176 18410855456703717247 10670039 82 18271243816774075545 10835480 77 18338803424490240496 11135609 127 18270396218021457888 11181472 205 18263924333344214673 11297750 10 16558740183465882336 11386260 185 18409738378771094372 11408170 132 18272652328990642320 11607047 191 17344042313318002984 11719270 70 17418377969871543030 11973864 48 18337121146521582235 11991303 11 17774715471923170727 12082328 90 18272370867668427549 12133447 93 17168141170740796957 12664476 115 17894348878761109116 13668630 136 13830131707120863385 13673619 4 15410895158873615785 14040221 8 18338526240186053724 14068700 675 16415483739767529016 14400156 188 9222695293015432876 150020 25 18333453153490794803 15082195 135 18272654597355932144 15131766 46 18053940938481100588 15183329 4 18341897363646759682 15347590 135 12468630604778582397 15392192 104 13984669143972236385 15706992 2 16805613530205162645 1577012 14 17603857906686904139 15840311 113 18187366549128907077 16994733 274 16950272993511389097 1754908 1 9079114484299774413 1754911 235 18261106366873437501 17686467 74 17095521825994875053 18335252 114 18410853269742768469 18393751 57 12973602235940028033 20105231 36 17632292411848955599 2026 5 14764358097793748341 20505436 4 17676480666496848059 21033648 29 17023469767531507776 21585481 104 18409731742139058981 21781055 127 15791725275294409416 21792961 116 18130792239991114835 21792965 169 18130525079886921156 22224240 67 13839984409405669401 23516275 100 17751076023709168460 23559900 14 17845929740246707682 23576562 1 18190736630653280165 3004659 81 18272932709357126594 3633792 109 18411142428990705370 3711267 37 16950288373710026061 4073 2 18115312314394012954 4098825 35 18412545375330206431 4149490 64 13541879370975512455 439807 62 17847063276536875507 474113 269 18190180093403497498 4874694 18 18272087223897119734 5219985 9 16128659647930981579 5385378 56 15864059962904031320 5470011 282 18343585169835193261 57359948 33 17894639167448398892 5758199 1 16298384656846611187 59682541 35 8142077672437945997 59682541 52 18413674604454024714 6081469 158 18202001010445575709 6126387 218 9727638302952063535 6438161 24 16702014270916512650 6697151 62 15985097557159176211 9689198 14 17967251997045415875 9937071 3 11959727201576895693 9962374 69 13901893531850444521 > 626.65 30.48 2.48 1.53 42.34 1.2 -1.01 5.61 18.41 -5.45 0.82 -0.36 0.04 1.37 > 1386.042 > 335.2 > 2 5 10 $$$$