49798927 -OEChem-05082414413D 44 47 0 1 0 0 0 0 0999 V2000 -1.8432 1.0453 0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4367 -1.3428 1.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9937 0.9210 -0.8670 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6513 -1.0889 -0.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9192 -1.1388 -0.4251 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 0.8294 0.7954 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -3.3184 -0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 0.0418 -0.3981 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0328 0.3653 -0.2040 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2385 0.8398 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 0.8221 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 1.0474 -1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 1.0146 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -1.7577 -1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -2.1159 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.2721 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -0.1366 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -0.3316 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 0.9295 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -1.0144 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 1.4653 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 1.4324 1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4715 -3.1021 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1488 1.6578 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 -0.6393 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 1.9192 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8494 0.3361 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3686 1.5917 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 0.7969 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 0.2235 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 1.8798 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.6717 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6396 0.8996 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6777 0.8326 1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 -1.2110 -2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 -1.8979 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 -2.0230 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9956 1.6401 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 1.5786 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -3.9252 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3402 -1.6217 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 1.9820 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 2.8906 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0282 2.3553 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 32 1 0 0 0 0 7 15 2 0 0 0 0 7 23 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 21 1 0 0 0 0 12 33 1 0 0 0 0 13 22 2 0 0 0 0 13 34 1 0 0 0 0 14 23 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > 49798927 > 0.8 > 1 155 128 146 175 179 45 109 141 21 28 184 110 159 171 153 71 181 34 188 20 94 161 47 166 5 160 59 165 36 178 150 37 139 84 143 186 86 133 145 17 169 55 180 43 81 137 118 187 58 19 54 90 151 87 76 174 95 46 4 183 147 173 135 16 117 131 9 182 168 99 132 29 69 176 52 101 91 73 124 48 126 164 134 116 172 129 83 93 15 157 31 25 39 96 88 82 130 115 185 189 63 57 105 120 60 144 125 156 67 32 33 53 26 22 38 97 100 170 167 136 149 30 106 148 80 89 6 122 123 142 70 163 108 27 107 121 42 114 74 66 62 40 140 35 44 61 127 162 49 177 23 154 119 92 98 56 113 112 79 41 18 152 68 50 64 138 85 78 51 75 77 158 111 102 24 2 72 103 3 104 14 13 8 65 10 11 12 7 > 40 1 -0.28 10 0.3 11 -0.14 12 -0.15 13 -0.15 14 -0.3 15 0.04 16 0.71 17 0.05 19 0.14 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.08 24 -0.15 25 -0.15 26 -0.15 27 0.13 28 -0.15 3 -0.52 32 0.37 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.52 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 5 0.05 6 -0.73 7 -0.57 8 0.91 9 0.4 > 7 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 6 donor 3 5 7 15 cation 5 1 17 18 19 20 rings 5 5 7 14 15 23 rings 6 11 12 13 21 22 24 rings 6 18 19 25 26 27 28 rings > 28 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 02F7DF0F00000001 > 58.6051 > 56.006 > 10162869 55 12540697072313421851 10299344 5 13254804550641220596 10319688 140 17631744750998141142 10319926 262 9799412191870011703 10462674 296 17404023016970130723 10595046 47 18342177717937764153 10906281 52 18114763589393264328 11135609 187 18343302544450663395 11545043 162 11383837038897429251 11719270 70 18341609305282074370 12166972 35 12685091492944770814 12236239 1 16443061737791979920 12730499 353 18343865528294434938 13150687 139 17988935483432535502 13533116 47 18060135393348592571 13540713 5 17629780976106897370 13668630 136 16415480476098804941 13685833 64 10807938167332509784 13968360 50 18342460331708880710 14118638 360 18272090461875043753 15082195 135 18337123336511427932 15183329 4 18334016098764627121 15537594 2 17346310501476350351 15840311 113 15357697509467506700 15849732 13 13334733544791684984 15961568 22 18040719160247488140 17980427 23 17458911569224368478 18335252 98 18408327713905298467 18608769 82 18335987583849193147 20157964 124 18335139774268267810 20721686 124 18186517701074069578 20771845 171 18260275149105007598 21150785 3 18343864442131984373 21344244 181 16343718638046336918 21344244 246 17630904724884523654 21521239 73 17203342087555355462 22393880 68 17774996946983841086 23516275 137 16701203948586452911 23559900 14 18126001564364863066 23569914 152 16407333919318226156 24771750 20 17899428768083853269 3004659 81 18337671897754519778 3103668 31 17912360136827591398 3472631 163 17458633349516226660 4073 2 18187369835348795379 4098825 35 18339925900907351289 4325135 7 18333731338026658644 46194498 28 18267584611273386462 57359948 33 18187364277428707309 57634706 280 17703214244154393618 58260988 587 12319152055049378490 59755656 215 18413388747930346192 6025842 7 18343584010669199302 8863177 126 10663804296159927428 > 532.83 20.84 2.52 1.26 18.67 2.2 -0.1 -9.8 -4.84 -3.01 -0.64 -1.26 0.08 0.98 > 1173.639 > 288.5 > 2 5 10 $$$$