9566278 -OEChem-04242401043D 38 40 0 0 0 0 0 0 0999 V2000 -2.5480 -1.2385 -2.7347 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 -1.2628 2.3835 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 1.1214 0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 0.8022 0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -0.1602 0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 3.0073 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 0.1263 -0.0125 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0371 -1.6281 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 -0.1902 0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 1.3608 0.0107 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 -0.9423 0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1918 -0.3711 -0.0057 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3428 -0.0900 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 1.2462 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -1.2757 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 1.9675 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -1.8746 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1482 -1.8248 1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 3.4031 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 1.7874 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -3.0229 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 -2.9729 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 -3.5720 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 0.8267 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 0.4172 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 2.0585 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 0.4681 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 1.8334 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4658 3.5781 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 3.8857 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 3.8911 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -3.5019 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -3.3997 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -4.4652 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 3.0122 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 2.5790 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 -1.6036 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 -1.3210 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 20 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 25 2 0 0 0 0 11 25 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 28 2 0 0 0 0 28 36 1 0 0 0 0 M CHG 2 7 -1 12 1 M END > 9566278 > 0.8 > 1 67 304 13 296 270 290 227 107 177 82 85 188 231 301 157 153 263 225 34 156 234 185 14 282 309 246 179 154 71 175 278 245 159 25 143 284 195 293 155 43 273 50 277 87 199 108 264 165 303 247 129 178 60 203 76 214 207 89 219 258 99 92 173 288 61 226 36 135 276 267 10 171 272 289 53 287 251 182 286 299 243 122 194 5 249 141 169 84 52 250 298 204 144 252 142 242 275 236 78 261 237 100 254 307 116 220 260 268 91 31 112 256 17 80 241 4 257 202 308 86 6 16 121 81 150 291 118 210 72 190 181 51 294 103 239 26 94 271 201 127 198 7 41 172 102 222 46 88 75 262 117 48 123 29 205 187 96 259 279 132 11 215 137 197 209 166 186 54 140 295 56 285 119 221 310 138 133 110 19 23 114 90 30 44 240 193 8 189 160 21 281 164 229 57 63 74 152 136 45 64 233 161 306 149 145 168 70 15 9 174 218 183 266 238 191 170 139 146 224 208 40 47 93 66 163 131 147 265 111 130 192 162 98 126 12 83 18 158 151 115 184 113 280 206 248 2 101 300 128 212 97 125 22 77 196 79 104 33 274 59 292 38 95 134 211 302 228 120 37 3 124 20 24 223 65 69 28 167 216 55 58 73 35 39 180 230 235 62 255 148 32 68 42 200 27 269 253 106 176 244 283 49 305 105 297 232 109 213 217 > 35 1 -0.18 10 -0.51 11 -0.85 12 0.96 13 0.23 14 -0.09 15 0.05 16 -0.04 17 0.18 18 0.19 19 0.18 2 -0.19 20 0.81 21 -0.15 22 -0.15 23 -0.15 24 0.05 25 0.58 26 -0.15 27 0.22 28 -0.15 3 -0.02 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.4 38 0.4 4 -0.09 5 -0.28 6 -0.57 7 -0.52 8 -0.52 9 -0.41 > 6 > 11 1 11 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 7 anion 1 8 acceptor 1 9 acceptor 3 10 11 25 cation 5 3 9 13 14 16 rings 5 5 24 26 27 28 rings 6 15 17 18 21 22 23 rings > 28 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 0091F84600000001 > 57.6097 > 55.915 > 10411042 1 17978511163655392695 10483366 6 18128801119091630095 107951 10 17967817124268084635 11315181 36 17846501443776299832 11370993 144 18335136518741184006 11405975 8 18410291450003919648 11524674 6 17632855309191390854 12788726 201 18129942261061647200 138480 1 17473825018214932979 14659021 117 18054768844301808082 15042514 8 18192155004637173099 15131766 46 16011024122719588548 16719943 64 18409448064060396826 17844677 252 18265341771336460564 18927931 339 18338524144189005686 20554085 129 17984396591547645481 21065198 57 18338517551377672656 21133410 171 17260687240804168494 21133410 52 15607635550888960036 23559900 14 18411133675969097776 23728640 28 18339926025688217243 249057 3 18408604756085681276 3298306 158 18268149760181179447 3383291 50 18336543927863637283 338550 245 18335707122479190686 3411729 13 18052545362041293241 4015057 19 18058996414918667681 4073 2 18261394499133969784 484985 159 18261104240095219699 497634 4 16806458083103553406 5104073 3 18337668715790415520 5265222 85 18339933705332128060 5364581 5 17982997136795023192 559249 180 18409444748566742040 59755656 520 18113614582039830899 6138700 20 18410291415691407071 633830 44 17603865663218434056 70251023 43 17474942607355276783 7288768 16 17967533445946848691 9981440 41 18335991874389562107 > 515.68 12.77 3.88 1.28 25.65 0.66 0.36 -4.34 0.14 -3.95 -0.14 -1.58 1.12 -0.16 > 1124.794 > 282.5 > 2 5 10 $$$$