20923752 -OEChem-04262404293D 45 47 0 0 0 0 0 0 0999 V2000 -8.3345 1.6007 -1.6013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.9591 0.3668 1.0212 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0023 -1.2815 -0.6899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 1.0474 0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -1.1558 1.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7591 -0.8036 -0.8577 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -0.3290 -0.4123 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 -0.1645 -1.8781 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 -0.0241 -1.5616 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6322 -0.0148 -0.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -1.7266 1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 -1.0968 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -1.0888 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -0.5842 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 0.0137 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 0.4364 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 -0.6111 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7702 -0.0599 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 0.0831 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 1.6790 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 0.7061 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3384 2.4451 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 1.9585 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8802 0.7178 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4219 -0.4535 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2257 0.8158 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7674 -0.3551 1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6693 0.2794 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0387 -2.4006 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.0346 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 -1.2474 -1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6092 -1.2296 -0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 0.3958 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 2.1285 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 -2.0206 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 -1.9345 2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8687 0.3341 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1721 3.4206 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4812 2.5551 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5337 1.1363 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 -0.9594 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1144 -0.7720 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1888 -3.3036 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -2.3046 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -2.4971 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 21 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > 20923752 > 1 > 1 38 149 121 6 242 139 180 135 117 289 69 285 284 197 118 191 183 23 27 291 164 290 13 146 152 144 286 206 288 42 281 273 190 44 159 226 235 160 84 153 163 86 106 247 73 258 232 127 175 54 287 270 143 104 92 234 274 70 279 59 207 230 214 200 205 256 246 64 61 128 212 136 140 85 56 111 268 58 101 87 137 141 93 272 36 28 225 116 170 219 267 122 217 46 166 148 188 30 105 198 236 50 37 95 249 97 100 89 29 4 223 282 201 165 150 221 90 215 224 51 20 169 283 292 260 62 174 269 72 204 209 98 194 18 24 22 8 222 208 231 2 250 156 171 16 45 259 138 102 67 78 108 193 199 181 253 114 131 243 41 158 12 263 168 66 15 251 244 147 240 3 31 257 124 187 19 220 154 68 77 82 123 293 211 203 47 53 57 119 126 83 245 177 162 218 237 189 7 179 265 75 161 228 202 113 99 43 32 129 107 233 184 261 94 210 185 275 241 26 133 213 254 278 112 262 216 227 192 172 48 9 39 277 55 248 132 63 157 155 238 103 252 40 14 125 25 239 151 33 52 196 60 110 34 49 182 88 134 130 167 264 65 91 276 79 80 195 115 142 186 109 280 10 271 120 71 35 266 255 5 96 21 229 74 17 145 11 176 178 76 81 173 > 40 1 -0.18 10 -0.55 11 -0.88 12 0.32 13 -0.07 14 0.14 15 0.57 16 0.12 17 0.72 18 0.08 19 0.12 2 -0.19 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.18 27 -0.15 28 0.19 29 0.28 3 -0.36 32 0.37 33 0.37 34 0.15 35 0.4 36 0.4 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 5 -0.57 6 0.31 7 -0.55 8 -0.42 9 -0.23 > 8 > 10 1 10 donor 1 11 cation 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 5 6 8 9 13 14 rings 6 16 18 20 21 22 23 rings 6 19 24 25 26 27 28 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 14 > 013F456800000001 > 82.3046 > 50.747 > 10 15 18333731333721102665 10533779 47 18261122828570999627 11135609 127 15554156078714056320 11315181 36 17632858642914277887 13533116 47 18410009911030149322 13540713 4 16879893158995009295 13540713 5 13972312763290006527 13668630 136 10447929477528566053 13673619 4 10737279156174787303 13685833 64 10809340040442006764 15131766 46 17913761993542980808 15183329 4 15554451811932195218 15289351 153 18336538305402812744 15301273 46 17822009791796285446 15352257 5 11025798703858360432 15461852 350 15338834296513437125 1577012 14 17703785959835255452 15980000 95 14851612076346497727 17134984 74 10663828477422136844 1818759 1 12757146849278714392 18335252 114 17774999098757447968 19301679 30 14852149690872569272 19315958 150 18334859438027557338 20157964 124 17989210335342834870 20281389 69 18342176661449675208 20812841 46 18411984641928141026 21033648 29 18268978960386118720 21150785 3 15913327996676172509 21267235 1 12107780805204844598 22224240 67 18187363250715459307 22956985 138 14781482923599601146 23576562 1 15768914922327221489 246663 6 8646772205289833309 2838139 119 17918274259554128585 3092352 35 17274822454578064351 395649 100 18200305654723254479 397830 11 18265060308532521626 4093350 32 18187359896615261090 437795 83 17846215502466845689 58902169 19 16845567651832901852 59682541 35 18334018319826461835 636775 72 18261107419368298349 636775 8 15123497156886744909 9953998 17 18261115201658231339 > 543.91 30.08 1.81 1.36 11.27 0.23 0.08 11.27 -4.03 -3.86 -0.32 1.91 0.03 2.76 > 1167.121 > 300.5 > 2 5 10 $$$$