53364507 -OEChem-04262420153D 56 60 0 0 0 0 0 0 0999 V2000 1.5197 -0.6363 -0.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 -0.0436 1.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 0.1155 0.3018 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -0.6208 0.6923 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1007 1.4490 -0.3907 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -1.1843 0.4747 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -0.1215 -0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 0.5324 1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -1.0771 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -0.4299 1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 0.5347 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -0.3811 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 1.8980 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 -0.4023 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 0.1266 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0604 2.2995 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.7678 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -0.7837 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 -2.6554 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 3.7562 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6845 -2.1623 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 -0.4279 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.5248 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6016 -0.0457 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 0.7134 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9439 -0.9729 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 0.1270 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8772 -0.6288 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 1.0496 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2596 -0.4622 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9523 1.2163 0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7971 0.4604 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9145 -0.5515 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 0.8370 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 1.5469 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 0.5503 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -2.0754 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 -1.1755 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 -0.0581 2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -1.4152 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 2.6283 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 -2.1835 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9111 -0.4228 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2347 -3.7261 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 4.2172 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4400 3.9196 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1112 4.2582 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5177 -2.8476 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8555 1.1085 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 1.4555 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -1.5973 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -1.3524 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 1.6470 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -1.0506 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 1.9347 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8734 0.5903 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 2 0 0 0 0 6 22 2 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END > 53364507 > 0.8 > 1 150 80 129 23 63 67 116 126 165 37 48 149 138 153 95 93 4 115 108 147 60 166 46 79 102 181 139 137 175 39 99 53 125 40 111 54 120 86 75 105 171 43 98 68 64 131 81 77 132 31 3 144 162 128 76 5 101 61 174 96 51 62 47 161 109 14 66 140 59 74 141 72 87 168 155 117 13 16 91 21 176 22 78 42 121 71 89 70 2 119 106 179 135 29 17 92 57 41 172 9 133 103 178 69 167 49 73 83 26 36 88 114 33 56 134 90 173 28 152 30 6 50 52 156 170 164 110 118 124 20 55 159 12 177 123 142 143 32 104 100 151 35 122 18 180 38 58 11 107 112 24 136 25 85 44 163 113 97 146 34 65 127 8 154 148 169 145 158 10 27 82 157 19 7 94 160 130 45 15 84 > 42 1 -0.23 10 0.3 11 0.1 13 -0.15 14 0.78 15 0.31 16 0.17 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 0.14 21 -0.15 22 0.39 23 -0.15 25 -0.15 26 0.16 28 -0.15 29 -0.15 3 -0.84 30 -0.15 31 -0.15 32 -0.15 4 -0.66 41 0.15 42 0.15 43 0.15 44 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.62 7 0.37 8 0.37 9 0.3 > 6.2 > 8 1 2 acceptor 1 3 cation 1 5 acceptor 6 12 15 17 18 19 21 rings 6 27 28 29 30 31 32 rings 6 3 4 7 8 9 10 rings 6 5 11 12 13 15 16 rings 6 6 22 23 24 25 26 rings > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032E471B00000001 > 117.9778 > 40.63 > 10076449 9 15339122351005544290 10162869 55 17458623458106693990 10595046 47 18261108544232231475 10669705 176 18343586209481146558 10670039 82 18333728014460735565 11135926 11 15698001820850617669 11315181 36 18131353008206144699 11477941 20 18410283719432468269 12082328 90 18412543197813592071 12089408 11 18114181930930962534 12104220 1 16805324397238264965 12664476 115 17917710206658957281 13811026 1 18131355202670649700 13885169 127 18410293614065959135 13914758 101 18334577936853684160 14150023 24 13984657066613864600 14251764 18 17530963588368170418 14251764 46 16630529544111809622 14856354 85 18409730699538231015 150020 25 18131910459910772352 15152005 1 17412451817448310743 15183329 4 17385723599285163529 15328684 2 17822838780825745584 15461852 350 18411423920983618462 15510794 2 17917997165401699831 15604295 49 18340482357372128136 1577012 14 18187642462122663642 15849732 13 18201720665361502460 16989713 51 17845642777151625767 17686467 74 18187080702466312553 18335252 98 17846503646583001639 18608769 82 17561082557242745255 19304144 158 18272089353641483213 21150785 3 18412263951724499738 21792961 116 17561367257739524310 23576562 1 17773861151240798661 24771293 8 17822011977982144660 335352 9 17312827100305004326 335507 130 18335144215317426783 395649 100 17917716768978764705 4073 2 18187651271623613419 4339292 15 17988635359681906495 437795 160 18337383950488713794 44280117 145 18340206388500403311 44802255 64 18059570261889096959 54039377 194 16917065599031465543 5470011 282 17632580453313157444 5758199 1 17676206853662060954 58083652 198 15936413368187376724 5937810 71 17988085474491758321 6081469 158 17703792497313842032 6394761 36 16153426164784882710 6691757 9 16515693247151107145 67123 10 18341895212601334686 9663363 56 16200153192994483131 99344 41 18335701624262097278 9962374 69 15482377733625259537 > 626.88 33.26 2.22 1.18 42.25 1.32 0.33 3.25 -5.54 -7.14 -0.27 0.8 0.01 0.51 > 1383.489 > 333.5 > 2 5 10 $$$$