54722154 -OEChem-04232409573D 47 49 0 0 0 0 0 0 0999 V2000 -5.4914 -0.3407 0.6411 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 0.6623 -1.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5942 -2.7950 1.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 -3.0130 -1.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8267 -1.3796 1.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6092 0.3060 1.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -1.0434 -0.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 -0.9749 1.1287 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -0.7089 -0.8465 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 0.2830 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 0.8031 -0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -1.1328 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 0.0489 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -1.7079 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4681 1.0153 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7262 2.0430 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -1.8865 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 -1.5115 2.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 0.5740 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 2.2420 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -1.3431 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 2.7563 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 -1.1604 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.8728 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 1.5629 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 2.1603 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 -2.3322 -2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 2.8506 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 3.1493 0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 0.6547 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 2.4992 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 -0.8192 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9262 -1.6627 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 -2.4765 2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 2.7929 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 3.7127 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -0.4463 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -1.2042 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 1.3803 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 2.4268 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.2143 -2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 -2.1846 -2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -3.3591 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0181 0.9403 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 3.6229 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 4.1524 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -2.1654 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 44 1 0 0 0 0 3 14 2 0 0 0 0 4 17 2 0 0 0 0 5 47 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 39 1 0 0 0 0 26 29 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 54722154 > 0.8 > 1 201 169 173 161 71 25 224 45 119 221 52 170 215 159 210 59 102 54 146 183 135 139 239 216 205 217 116 34 212 38 76 236 194 172 85 61 191 163 242 98 238 237 203 206 147 209 180 234 90 111 13 68 153 228 157 231 66 186 218 36 93 127 55 164 168 53 171 7 70 32 129 222 193 187 108 96 51 132 125 58 241 148 114 219 57 144 121 92 190 227 69 134 142 39 176 128 200 105 223 202 26 16 77 235 41 233 160 63 152 48 113 74 49 199 79 78 126 95 29 40 94 229 43 73 109 197 80 145 174 72 136 131 195 184 167 107 230 214 110 83 141 10 155 196 220 88 137 99 17 179 60 211 75 115 64 130 240 149 31 185 112 22 150 204 97 44 67 20 30 158 81 175 226 140 100 232 103 89 11 87 182 5 101 178 120 86 19 192 91 14 82 28 9 124 4 181 6 27 106 208 18 62 123 198 162 21 35 24 3 15 104 143 213 165 2 42 8 225 117 166 56 188 118 156 122 151 47 37 138 50 84 23 46 207 33 177 133 65 12 154 189 > 41 1 1.49 10 0.12 11 0.03 12 0.03 13 0.05 14 0.62 15 -0.15 16 -0.15 17 0.54 18 0.3 19 0.1 2 -0.53 20 -0.15 21 -0.04 22 -0.15 23 -0.14 24 -0.01 25 -0.15 26 -0.15 27 0.14 28 -0.15 29 -0.15 3 -0.57 30 0.15 31 0.15 35 0.15 36 0.15 37 0.15 38 0.4 39 0.15 4 -0.57 40 0.15 44 0.45 45 0.15 46 0.15 47 0.5 5 -0.68 6 -0.65 7 -0.65 8 -0.48 9 -0.6 > 5 > 12 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 cation 1 9 donor 4 1 5 6 7 anion 6 10 11 15 16 20 22 rings 6 19 24 25 26 28 29 rings 6 8 10 11 12 13 14 rings > 29 > 0 > 0 > 1 > 0 > 0 > 1 > 18 > 0342FE6A00000001 > 104.7662 > 60.977 > 10670039 82 18340218427040916516 12403259 118 18338510825189459033 12422481 6 18190738639711796980 12555020 224 8502376599237006657 12596602 18 17967809453203032985 12788726 201 18056463170245797487 12892183 10 18260268520978705735 12925494 130 17910399381794761417 12978246 48 18413387622549083992 13583140 156 17606104092202977295 13782708 43 15574985118888611698 14294032 229 17846493755916423079 14341114 328 18342175583164756413 1454969 45 18201717393081946935 14739800 52 18056457664883467128 14840074 17 18271812354337121109 14849402 71 18186804682551553512 14950920 106 17967525736153186634 14955137 171 18120938305061264286 15003188 33 11167944653802933147 15183329 4 10519991452290743745 19319366 153 18408879663751233522 19377110 9 18410852174726210841 20715895 44 17762894369068265241 20739085 24 17822287960418214364 21302155 148 18272090478775409521 21864079 5 18342174427707810260 22149856 69 17988098695070183243 23559900 14 17909845232239158151 38570 142 18042423459853760348 392239 28 18190192350416259819 44802255 64 16984076581376520604 5104073 3 18261398797800316161 6700243 42 16980150258990050590 7808743 9 18202280350749485838 960060 61 10519979366062803698 > 555.48 14.69 3.52 1.57 4.56 0.76 -0.09 5.99 -6.21 -0.71 0.24 -0.32 -0.83 -2.24 > 1195.993 > 307 > 2 5 10 $$$$