67554612 -OEChem-04232411443D 49 52 0 1 0 0 0 0 0999 V2000 1.8247 -0.1541 -2.7545 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 4.4942 -0.3340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 -0.5569 -1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 -2.0759 1.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 4.1031 0.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 0.7061 0.3698 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 3.3134 0.6611 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 -3.1137 0.3047 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2858 0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 -1.3733 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -3.2273 -0.3118 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0288 -3.5156 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 0.9525 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9287 -1.3873 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 1.7284 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 2.2286 0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 -2.3997 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 -0.3798 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -2.1748 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.3261 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.7298 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 3.1468 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 -2.7808 1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -1.4985 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6555 0.6867 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6826 -0.0174 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 2.0793 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6923 0.6939 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 2.7711 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 2.0927 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3573 -4.1680 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -4.4005 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 -3.7712 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 0.1289 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 1.0514 2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5931 1.6109 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 1.5985 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5657 2.0992 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2221 2.5404 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -2.4538 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -2.1192 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6043 4.2613 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 -3.6364 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 -2.7100 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 -3.6052 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0104 -0.1309 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 2.5922 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 0.1759 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4074 2.6447 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 29 1 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 5 22 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 42 1 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 43 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 46 1 0 0 0 0 10 24 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 22 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 49 1 0 0 0 0 M END > 67554612 > 1.2 > 7 87 231 209 8 200 126 83 91 122 188 134 243 127 173 115 184 217 206 145 221 253 152 161 25 23 81 165 151 129 259 33 108 45 213 192 219 131 94 241 61 244 135 197 104 138 178 48 57 65 24 211 28 227 133 31 79 40 201 157 82 34 116 27 123 112 235 154 70 60 15 167 103 212 163 250 147 18 114 230 53 260 75 43 193 6 238 51 175 95 77 198 204 52 142 140 214 110 101 119 139 158 63 256 234 113 41 226 191 69 72 32 216 170 86 225 36 181 146 90 102 252 1 166 171 179 68 99 228 177 10 251 78 169 130 71 88 155 176 106 5 92 62 232 128 30 261 224 20 215 29 46 76 14 107 73 54 159 229 111 12 172 164 239 246 233 39 190 13 203 44 202 218 153 205 148 117 21 144 121 245 84 35 124 64 3 132 11 180 220 136 97 143 237 258 4 189 249 118 236 247 208 137 125 168 255 254 58 149 89 183 207 49 196 210 74 100 187 186 66 257 109 162 2 156 242 47 93 85 223 141 38 182 56 19 50 240 67 42 96 174 194 98 26 185 150 248 22 120 160 105 199 37 16 80 9 222 17 59 55 195 > 38 1 -0.14 10 -0.57 11 0.2 12 0.14 13 0.3 14 0.01 15 0.36 16 0.3 17 -0.29 18 0.62 19 -0.29 2 -0.18 20 0.14 21 0.57 22 0.57 23 0.48 24 0.01 25 -0.15 26 0.23 27 -0.15 28 -0.15 29 0.18 3 -0.57 30 -0.15 4 -0.57 40 0.15 41 0.15 42 0.37 43 0.37 46 0.27 47 0.15 48 0.15 49 0.15 5 -0.57 6 -0.66 7 -0.73 8 -0.73 9 0.03 > 7.4 > 11 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 1 8 donor 1 9 donor 3 9 10 24 cation 5 9 10 24 25 26 rings 6 11 12 14 17 19 20 rings 6 25 26 27 28 29 30 rings 6 6 7 13 15 16 22 rings > 30 > 0 > 1 > 0 > 0 > 0 > 1 > 12 > 0406CD3400000007 > 58.5746 > 55.929 > 10439779 11 18192707852057082203 11331351 85 17039779574672951203 13402501 40 18411982463973767113 13617811 41 18187088343783215157 13965767 371 17822281362705616046 14251764 38 18411980247960494561 14705955 166 17388828762183277818 14739800 52 18260820501580878995 15320467 1 18194400224044483329 15961568 22 17835806674197610351 20398071 114 18410011018398092401 20764821 26 18339366240772460457 21033648 144 18198635512579721962 21388113 180 18411136965296724793 21475661 188 18411980295316015006 21859007 373 17983287420950078792 21860390 5 18057323890270988926 22393880 68 18342462517034779631 23559900 14 18340765919084850267 2838139 119 18411415128901227118 325973 47 18339080501009736833 3298306 158 18200867491192903753 376196 1 18408604742863487595 437795 96 18260821584171366781 46194498 28 17988374740232876679 508706 21 18409731789699774971 5895379 119 17969238869969506166 5951187 136 17912651198740135013 6328613 192 17968396554333209438 6608658 132 17118324841427796910 > 578.61 13.14 5.74 1.45 9.77 2.99 0.77 12.13 1.55 -1.52 -1.23 -0.72 -0.38 2.21 > 1236.566 > 321.7 > 2 5 10 $$$$