5362391 -OEChem-09042101253D 43 44 0 0 0 0 0 0 0999 V2000 1.2518 -4.4075 -0.0183 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 -3.7789 -1.5870 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 -2.7372 -1.3064 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 1.9310 0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 0.8300 -0.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 0.2705 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.0721 0.1014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9963 2.1266 -1.0428 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 3.0855 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 2.0473 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 3.1904 0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 1.9554 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0758 -0.2967 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 0.9575 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 -1.1653 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.3444 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 0.9370 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.5588 2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 0.9389 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -2.6308 1.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -1.7380 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -3.2985 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -0.2255 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 2.0769 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 -0.2140 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 0.9768 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 4.0673 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 2.7936 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0902 2.3041 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7209 1.0593 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 3.5119 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 3.9328 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1403 2.9306 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 1.6726 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 -0.9384 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 0.1327 2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 -3.5439 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -1.9607 3.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 -1.1598 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 3.0198 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -1.1085 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 1.0384 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 0.1644 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 19 1 0 0 0 0 5 43 1 0 0 0 0 6 19 2 0 0 0 0 7 14 2 0 0 0 0 8 24 1 0 0 0 0 8 26 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 19 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 2 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 5362391 > 1 > 2 24 102 220 210 169 30 199 59 96 173 120 16 155 137 38 61 205 178 12 76 181 54 71 77 202 132 217 109 37 123 211 170 153 216 95 144 133 107 56 28 124 100 52 5 158 188 208 41 85 167 204 11 114 32 203 126 58 63 143 163 121 149 48 9 118 213 186 128 161 201 138 65 175 154 45 110 89 23 27 26 180 160 43 174 172 47 219 90 145 183 75 101 185 162 108 70 139 68 82 212 113 62 33 72 60 209 177 13 1 150 115 207 57 122 39 131 50 42 73 104 196 125 14 79 81 53 127 36 176 182 151 190 140 87 91 84 164 195 179 184 156 134 69 55 105 86 135 129 111 99 214 29 106 130 141 166 19 66 147 15 93 8 142 198 88 64 157 21 40 94 51 193 197 25 117 46 4 171 98 83 67 194 92 165 6 200 44 20 3 136 119 80 74 18 112 78 218 22 168 206 97 10 31 103 49 152 7 34 17 191 192 116 146 35 148 215 189 159 187 > 33 1 -0.34 11 0.28 12 0.06 13 0.09 14 0.28 15 -0.15 16 -0.14 17 0.09 18 -0.15 19 0.66 2 -0.34 20 -0.15 21 -0.15 22 1.16 23 -0.15 24 0.16 25 -0.15 26 0.16 3 -0.34 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.22 40 0.15 41 0.15 42 0.15 43 0.5 5 -0.65 6 -0.57 7 -0.51 8 -0.62 > 9 > 7 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 5 6 19 anion 6 13 15 16 18 20 21 rings 6 8 17 23 24 25 26 rings > 26 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0051D2D700000002 > 60.7568 > 35.581 > 10254770 206 18337091390908320218 10764073 3 17901422122518878723 107951 10 17749392602406406058 10816530 90 17902786367441649421 11135609 187 18411982446915789168 11445158 3 15794224447258063930 11488393 25 18338239267440253267 12156800 1 16842438471904983142 13402501 40 18411421717866265036 1361 2 18342173354229775550 15403338 16 17314492744203955866 15664445 248 17834670505509168779 19930381 70 18269277867954504118 20197701 30 18335973276896391757 20567600 347 18261105301294331641 20600515 1 17039755415555049849 20602899 9 18058735839336546665 20721686 146 14924485469705136639 21133410 230 17534096139371080002 21133665 82 18335420141776399416 21344244 246 18413386514542207615 21521239 73 18130215073400336997 23419403 2 17901142722216820571 23559900 14 17909532979410713707 3027735 51 18271536277728698080 3298306 158 18407759252780641032 3383291 50 18342176704620881570 340366 18 18041564775099994660 38695281 34 18342172284972725519 5085150 59 18338786846021999120 5265222 85 18262528125149564004 532947 4 18341055129265856700 59755656 215 18334851723871031853 6138700 20 18409446960454125184 9981440 41 18261403247154631370 > 485.68 10.94 4.83 1.54 6.83 4.04 -0.69 -9.34 5.03 2.01 0.52 -0.06 1.21 1.39 > 1024.943 > 272.9 > 2 5 10 $$$$