68263188 -OEChem-05042420313D 45 48 0 1 0 0 0 0 0999 V2000 0.5199 3.0975 -0.3903 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4359 -3.4312 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -2.1844 0.2803 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 0.1347 0.0974 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 0.0455 2.3405 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 0.8648 0.8969 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 -1.0975 0.0877 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4237 -1.0663 -1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 -0.2388 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9463 0.8099 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 0.6460 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 -2.2638 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 2.0024 1.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8711 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 1.0560 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 2.2296 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 0.1873 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 0.5133 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 2.5634 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 1.6864 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 -0.3784 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1872 -0.2198 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4574 -1.3961 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2806 -1.0791 1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5508 -2.2555 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4625 -2.0970 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.1352 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 -0.5421 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6324 -2.0506 -1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 0.2053 -2.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -0.8677 -2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 1.6730 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 1.1334 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 2.4815 2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 2.6586 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -0.8508 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 -4.2091 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -0.7284 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2672 3.4776 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1873 1.9421 -1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 0.5684 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.5338 -1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9905 -0.9558 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6926 -3.0481 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3138 -2.7661 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 37 1 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 5 36 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > 68263188 > 0.8 > 1 214 227 103 17 197 189 168 177 24 27 122 145 26 170 246 202 166 113 64 217 236 225 4 213 203 185 77 218 38 165 148 7 215 137 211 16 167 249 105 129 164 92 94 245 101 146 191 135 82 176 237 228 240 136 73 2 31 125 153 78 133 226 174 212 222 44 75 231 68 235 200 42 195 173 56 52 87 123 48 210 124 207 5 120 89 109 83 70 229 209 85 144 10 143 159 194 131 134 106 71 160 39 35 150 29 140 107 184 72 155 157 102 104 126 152 154 247 76 6 65 238 86 178 180 97 13 244 139 234 23 241 121 93 118 219 49 60 220 130 62 248 51 205 41 9 183 172 110 132 22 186 63 32 8 224 239 171 242 119 196 15 201 127 84 59 161 43 151 156 115 187 147 162 34 20 117 158 206 66 169 182 37 18 204 88 128 81 99 12 208 40 46 67 141 53 233 223 58 90 47 111 179 243 11 54 79 19 232 98 30 108 216 25 100 69 96 193 190 142 198 14 80 188 36 28 114 21 74 57 230 45 163 221 3 61 33 112 138 199 55 50 91 149 181 175 116 192 95 > 32 1 -0.08 10 0.37 11 0.44 12 0.66 13 0.24 14 0.2 15 0.23 16 0.04 17 -0.15 19 -0.15 2 -0.65 20 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 3 -0.57 36 0.4 37 0.5 38 0.15 39 0.15 4 -0.79 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 5 -0.85 6 -0.57 7 0.43 > 6 > 10 1 2 acceptor 1 3 acceptor 1 5 donor 1 6 acceptor 3 2 3 12 anion 3 4 5 11 cation 5 1 6 14 15 16 rings 5 4 7 8 9 10 rings 6 15 16 17 18 19 20 rings 6 21 22 23 24 25 26 rings > 26 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 04119D1400000001 > 65.3939 > 50.873 > 10042902 136 18270683189917614735 10316853 100 18337111279900132403 10319926 262 16414937304717616777 10622 236 17752756932105653986 10692045 39 11743298176274897396 10928967 22 18273206487098471326 11796584 16 18126005958337407524 11991303 11 17606671432510281333 12107183 9 18200326429242396033 12422481 6 17560806563039410703 12596602 18 17060059306526823331 12633257 1 15697986440736520100 12778500 126 15841007601857895619 13103583 49 17703803504808561569 13150687 139 17898027939484404700 13383661 66 17701841915993791246 13533116 47 18059295490997898633 13551218 46 18342454889842644759 1361 2 18264771132679052760 13690498 29 18187082837028200925 13757389 114 17898856747265180133 13955234 65 18128251396756596456 14211702 104 18055072331730177279 14251740 57 18130505339657871015 14251751 18 18339071580620443850 14251764 30 18410295813363319743 14347332 77 18334856100178799853 14528608 73 12901538066301816561 14950920 106 17203325633066068043 15537594 2 18341617031316212951 15799311 1 18265350537143152755 17492 89 18192995911810053278 17909252 39 18341330003120927026 1813 80 18187078503406328941 18222031 100 18336261336216157953 20554085 129 14979969051948194743 20775438 99 18046620380950855722 21475661 188 9223228555146192432 21641784 216 16370996408982332117 21968339 14 14418127431558308532 22950370 63 18410297990864551953 23522609 53 18124068755983108705 23559900 14 18047180861487472532 23569914 152 17760610748310591095 25222932 49 18271798043395451374 2748736 6 9007060141120039975 2838139 119 11819268992615044495 3089732 80 18409448102862782395 312425 54 17775288300622820179 329604 57 18259989253546788758 341906 21 10015572935127375368 34797466 226 16081376292918934975 437795 163 18190739744542499722 439807 62 18261958453186838207 44062 13 18264483984224987805 44317340 157 12829479321423922501 444735 86 18187634782959190987 46194498 28 17604149340933346812 463206 1 18338518654735907175 465052 167 18131358522226773500 474 4 8790888479813092973 5104073 3 17846214427790578944 5372103 7 15720532043039550988 543368 44 11097844217160450223 60111433 81 12811962172367865205 7918774 8 18187374267865457227 7970288 3 18411135840010129095 8863177 126 18272368680691212619 960060 61 18040716986882694156 > 512.24 15.33 3.34 1.48 10.8 0.19 0 13.37 -1.35 -0.83 -0.44 -1.25 -0.07 0.5 > 1112.575 > 281.3 > 2 5 10 $$$$