121887 -OEChem-05112409023D 47 49 0 1 0 0 0 0 0999 V2000 2.7103 2.4062 0.0120 P 0 0 1 0 0 0 0 0 0 0 0 0 5.2166 0.9691 -0.5524 P 0 0 2 0 0 0 0 0 0 0 0 0 5.2291 -1.6418 0.8214 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 -0.4748 0.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 -2.4449 -1.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 -3.2731 -0.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 1.0640 0.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 1.8832 -0.9048 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7463 3.1552 -1.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 2.5265 0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 3.2581 1.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8196 -2.0953 0.5092 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -0.3519 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8963 1.7244 0.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.6987 -1.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 -2.6091 1.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -2.3745 -0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 -1.3305 2.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 0.0862 0.1015 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7001 -1.2054 0.3202 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 2.1441 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6218 0.2080 0.3114 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 -1.4598 -1.2463 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1885 -1.9953 -0.9630 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6221 -0.9673 0.1299 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7239 -0.9895 0.0513 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4493 0.1802 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -0.0513 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 1.4359 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 1.2112 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9205 1.4198 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0932 -1.1065 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 -0.6359 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -2.1077 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0174 -1.7729 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 -1.4612 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.7354 -1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 -0.1752 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -3.1332 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -3.9007 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 1.8448 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -2.1041 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6344 0.2821 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 3.6774 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 2.5225 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 -3.4342 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5766 -3.1552 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 27 1 0 0 0 0 9 44 1 0 0 0 0 10 31 2 0 0 0 0 12 32 2 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 28 1 0 0 0 0 20 32 1 0 0 0 0 20 42 1 0 0 0 0 21 29 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 30 2 0 0 0 0 29 41 1 0 0 0 0 30 31 1 0 0 0 0 M END > 121887 > 1.4 > 1 201 47 89 52 215 38 44 39 137 152 121 40 98 154 270 23 189 104 171 212 11 50 208 60 97 6 145 139 240 49 27 218 207 264 165 101 124 187 82 41 3 166 211 92 81 178 56 146 26 222 106 31 220 176 53 241 125 34 243 142 120 169 19 22 151 63 167 216 123 195 143 13 59 221 250 12 73 244 269 161 68 233 155 162 179 254 99 153 45 122 71 157 183 91 16 268 182 111 118 203 93 112 228 135 35 232 252 127 80 67 18 194 79 126 32 257 223 29 147 172 114 150 85 58 265 263 213 117 226 217 9 262 76 173 140 248 88 236 190 144 132 219 229 181 156 115 196 2 186 158 25 225 78 8 72 94 75 204 235 55 107 62 188 116 95 77 253 36 251 110 87 141 5 48 170 37 57 199 245 266 96 192 267 138 174 198 10 100 255 227 184 103 231 74 168 185 21 90 247 163 237 7 164 234 259 119 65 17 148 54 206 84 210 175 197 214 133 177 113 200 14 20 224 108 43 191 209 128 86 246 66 28 30 261 149 70 109 238 102 136 180 105 51 24 129 205 160 202 46 64 4 230 61 42 258 83 242 15 249 256 159 33 260 130 239 69 193 134 131 > 41 1 1.51 10 -0.57 11 -0.7 12 -0.57 13 -0.54 14 -0.77 15 -0.7 16 -0.77 17 -0.77 18 -0.7 19 0.05 2 1.51 20 -0.49 21 -0.57 22 -0.49 23 0.28 24 0.28 25 0.54 26 0.28 27 0.28 28 -0.09 29 0.04 3 1.51 30 0.14 31 0.72 32 0.69 39 0.4 4 -0.56 40 0.4 41 0.15 42 0.37 43 0.37 44 0.5 45 0.5 46 0.5 47 0.5 5 -0.68 6 -0.68 7 -0.55 8 -0.54 9 -0.77 > 9 > 21 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 14 acceptor 1 15 acceptor 1 16 acceptor 1 17 acceptor 1 18 acceptor 1 20 donor 1 22 donor 1 4 acceptor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 9 acceptor 3 19 21 29 cation 4 3 16 17 18 anion 5 19 21 28 29 30 rings 5 4 23 24 25 26 rings 6 20 22 28 30 31 32 rings > 32 > 3 > 1 > 0 > 0 > 0 > 1 > 6 > 0001DC1F00000001 > -7.3707 > 106.816 > 10763959 59 17822005415383523205 11578080 2 16914803998018203624 11719270 70 18272368633742497911 12166972 35 18411422842699615537 12236239 1 18260548913766011043 12788726 201 18060148600673955312 13533116 47 18261110794299164002 13782708 43 15936963042455076858 13785724 45 17978793411594360890 14251764 18 18260828207279039538 14955137 171 18340204068864986026 15183329 4 18411707564697696168 1577012 14 18335423460752417213 15849732 13 18271802385449254918 21421861 104 18115009859029198928 21703447 108 17411602989531574546 23559900 14 18113901606441128025 3004659 81 18261678082865613386 350125 39 18411700993434240749 4073 2 17895764031360897762 4144715 1 18334587819373355723 5104073 3 18409457977440547785 67856867 119 18409446973486388979 8509985 295 18410855447902876884 9996256 80 18410576214709099631 > 562.13 18.06 3.54 1.16 4.99 0.47 0.07 0.73 -3.46 -1.78 0.12 -1.52 -0.32 -1.08 > 1147.649 > 327.2 > 2 5 10 $$$$