24817993 -OEChem-04262413293D 63 66 0 0 0 0 0 0 0999 V2000 1.5434 2.0405 -1.1254 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -3.9829 -1.0397 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 1.4343 1.3992 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 -4.8523 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 -4.4644 -2.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2105 -1.1315 1.6378 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 2.8045 1.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -3.2641 -0.6413 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -1.5691 0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 0.2225 2.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 2.2064 0.4261 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 -2.8145 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -2.2137 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 -2.5208 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -1.9175 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 -0.8085 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -2.5570 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 0.0583 1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -0.9176 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -2.1806 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -1.8072 -2.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4203 -1.0542 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 0.8159 1.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 -0.1598 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 -0.6808 -2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6096 -0.3044 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 0.7069 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 -0.6632 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 0.7505 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 0.6724 3.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 2.0462 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 3.2790 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 3.3093 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 4.3205 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 4.3814 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 5.3926 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 5.4229 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -3.5927 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -1.9087 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -1.2916 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -2.5517 -2.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -2.1352 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -3.4476 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 -2.7991 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8282 -1.0936 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9182 0.1657 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0938 -1.5943 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 -2.7556 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 -2.0800 -3.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 1.4930 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0488 -0.2471 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 -0.0960 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 0.5753 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 0.0115 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.9550 2.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4135 0.3290 4.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0382 0.2634 3.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 1.7637 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 1.4836 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 4.3795 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 4.4204 -2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 6.2045 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 6.2576 -2.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 27 1 0 0 0 0 6 28 2 0 0 0 0 7 31 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 28 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 11 59 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 37 1 0 0 0 0 35 61 1 0 0 0 0 36 37 2 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 M END > 24817993 > 1.2 > 1 58 26 172 18 103 278 133 236 126 267 150 174 118 259 40 152 224 31 212 256 78 246 167 201 197 5 194 263 22 262 131 21 164 198 253 6 57 204 52 192 219 182 55 101 251 11 79 207 141 37 90 15 32 146 134 178 43 13 208 266 2 116 19 228 83 273 252 20 199 215 257 216 140 270 179 14 193 148 72 155 117 143 227 180 276 234 271 74 279 230 35 7 38 189 240 16 73 99 161 185 130 184 166 128 136 162 281 153 206 135 274 138 188 122 196 8 106 115 190 187 81 46 214 145 223 168 127 177 107 48 34 68 121 80 86 258 220 124 229 268 222 64 203 85 171 125 280 113 98 120 211 261 205 119 156 213 249 139 275 76 165 147 129 226 39 137 24 239 59 200 65 169 100 244 60 108 231 70 245 149 250 243 50 170 33 272 47 232 95 277 96 41 221 247 142 242 67 53 202 238 195 210 94 241 17 105 264 218 154 235 25 157 144 123 75 217 36 88 71 91 160 82 97 233 176 104 93 4 30 260 255 209 84 158 63 175 109 183 114 163 49 66 269 225 10 102 248 89 56 159 44 45 186 51 111 12 27 92 87 69 181 54 112 29 3 62 132 191 265 77 151 110 28 42 173 254 61 9 23 237 > 50 1 -0.18 10 -0.66 11 -0.55 12 0.36 13 0.36 14 0.37 15 0.37 16 0.1 17 -0.01 18 -0.15 19 -0.15 2 1.45 20 -0.15 21 -0.15 22 0.09 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.19 28 0.54 29 0.36 3 -0.19 30 0.3 31 0.57 32 0.12 33 0.18 34 -0.15 35 -0.15 36 -0.15 37 -0.15 4 -0.65 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.65 50 0.15 51 0.15 52 0.15 53 0.15 59 0.37 6 -0.57 60 0.15 61 0.15 62 0.15 63 0.15 7 -0.57 8 -0.85 9 -0.84 > 10.2 > 10 1 11 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 cation 6 16 18 19 23 24 27 rings 6 17 20 21 22 25 26 rings 6 32 33 34 35 36 37 rings 6 8 9 12 13 14 15 rings > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 017AB14900000001 > 108.8426 > 50.765 > 10256941 240 17978190952199555488 10305334 12 16701193958238691065 10815517 723 18340488963020311988 10816530 145 18189886690289327098 10816530 23 17979625746038372800 10842077 115 17908404876259683464 11513181 2 17272575203382301420 12100795 323 17978228257878909964 12522641 126 17690826179931405975 1361 2 17688858749037459389 13761468 95 18341036446527956334 14294032 229 18410291429173096480 14395042 24 18126290972642236891 14840074 17 18411143549444244456 15351339 4 16899912379576464925 15975801 100 18263093132861162076 17627616 140 17542226108940878372 17899979 19 18412256264450419013 17921350 177 17400922999141514722 19311894 1 18336540638061372546 19319366 153 16321465956570315444 20764821 26 17912060777827429970 21304303 64 18339068308298378957 21716022 299 16047268540182095455 21796203 349 17898035613752321984 238 59 16613064575135662997 25019877 29 17203056286850973383 25223398 141 18117848707725551374 25265897 201 15839892791582601583 469060 322 18408602569413888913 474144 1 17762342813361419109 50677037 204 18195520626978457232 9982175 49 17685780520639212956 > 716.49 10.51 7.53 2.71 17.91 6.53 0.94 -0.09 7.55 -4.16 -6.06 -2.43 0.45 -0.05 > 1514.777 > 405.3 > 2 5 10 $$$$