60159989 -OEChem-05122416123D 57 60 0 0 0 0 0 0 0999 V2000 -3.0625 2.1526 -0.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 1.0891 1.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 0.1774 0.6229 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 1.1935 -0.7237 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 0.1976 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -0.9185 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 0.9129 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -0.4387 1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 1.3278 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 -0.4248 -1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 1.1829 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 0.5785 1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 -1.1517 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 0.7571 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9659 -0.4779 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6469 -2.5008 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 -0.3317 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 3.1448 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 2.0541 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0325 -1.1531 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7136 -3.1762 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 -0.0641 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9064 -2.5023 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 -1.6570 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 2.2164 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 4.1418 -0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -1.1460 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 -2.7199 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -2.4638 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 -1.3345 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -1.7427 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 0.2463 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 1.8013 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 0.2595 2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 -1.3127 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 1.7606 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 2.1205 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 -1.1303 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 0.3199 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -0.1635 2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 1.4936 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1004 0.5622 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7325 -3.0479 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 2.9198 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 2.6660 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 3.6593 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 -0.6305 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 -4.2277 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7378 -3.0287 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 -1.9053 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3966 3.2069 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 4.6165 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8954 3.6391 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 4.9179 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 -0.9721 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 -3.7428 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -3.2871 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 22 1 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 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 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 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 21 2 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 24 2 0 0 0 0 18 26 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > 60159989 > 1 > 1 168 126 32 69 107 101 64 172 28 113 181 170 84 67 39 43 159 22 62 61 4 100 123 139 145 183 148 190 111 104 19 191 103 164 129 125 75 17 48 93 109 44 124 175 79 179 50 178 193 184 95 146 31 52 134 157 68 131 118 59 158 26 138 106 156 105 78 188 189 173 47 34 71 120 182 41 186 90 11 167 86 94 46 187 33 9 140 155 166 37 194 36 87 176 53 136 20 108 96 51 142 49 171 163 2 151 66 14 77 130 98 114 97 161 27 63 147 58 56 180 133 92 149 127 185 21 72 45 110 65 162 54 154 81 7 116 144 117 76 99 42 153 119 3 177 6 73 121 38 195 55 192 89 150 141 169 135 102 132 122 152 165 174 112 16 82 128 24 18 70 29 137 60 13 91 40 10 15 25 83 74 88 115 160 143 12 23 57 85 80 35 30 8 5 > 36 1 -0.43 10 0.14 11 0.66 12 0.41 13 -0.14 14 -0.14 15 -0.15 16 -0.15 18 0.28 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 0.31 23 -0.15 24 -0.15 25 0.16 27 -0.15 28 -0.15 29 -0.15 3 -0.81 4 -0.62 42 0.15 43 0.15 44 0.15 47 0.15 48 0.15 49 0.15 5 0.06 50 0.15 51 0.15 55 0.15 56 0.15 57 0.15 8 0.27 9 0.27 > 8.2 > 7 1 2 acceptor 1 3 cation 1 4 acceptor 6 13 15 16 20 21 23 rings 6 17 22 24 27 28 29 rings 6 3 5 6 7 8 9 rings 6 4 14 17 19 22 25 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0395F7F500000001 > 80.8082 > 35.554 > 10595046 47 18408323311115173700 11056379 131 18408319982758222705 117089 54 17700711566733250638 11796584 16 18270681936098439342 11991303 11 18265041441622165045 12107183 9 17979918207382612544 12616971 3 14261348076595121784 12788726 201 18262225708159523425 13073987 5 18272932726452398224 13533116 47 18271245023079116922 13583140 156 17703491268896469880 1361 2 18261675990910799662 13782708 43 17988641908509734127 13911987 19 14707211011147077859 14118638 360 18272932747927357976 14251764 30 18200029693830215507 14341114 176 18341895233464215391 14347332 77 18413385453743008579 14840074 17 18059858432198134591 15082195 135 17750811015973173036 15183329 4 18411138034838423202 15250474 111 18262225626023005282 15537594 2 17916864750435787398 15799311 1 18341348733262346746 17492 89 18412542124161470846 17844677 252 18410859858412335652 18335252 98 18265337389752400651 18608769 82 18268708497109748082 21033648 29 13470415435179211138 221357 26 18411980286630849232 22950370 63 18270679882639867499 23522609 53 17771937014497852609 23559900 14 18341323508882156569 23569914 152 17618187669469190375 3004659 81 18410854357224030114 34797466 226 17458908253124415902 350125 39 18343022185886101827 4058900 60 17693939588681332929 4073 2 18261958552313847802 4098825 35 18411140229993894904 439807 62 18411703175362542798 44062 13 18271521992534907390 46194498 28 18114459063432246868 465052 167 18060424629552824846 497634 4 18333730208772052549 5104073 3 18130783443607494522 513202 73 18410017624374577819 563151 40 18189343360004438099 59755656 520 18195806276631873925 633830 44 17968095279319360792 77296 10 18410858767295652245 > 575.11 16.58 3.85 1.15 7.61 1.43 0.13 -6.34 -2.72 -4.02 -0.46 -0.01 0.12 0.77 > 1247.312 > 311.7 > 2 5 10 $$$$