49786210 -OEChem-04202400053D 33 35 0 1 0 0 0 0 0999 V2000 1.5080 2.0747 -0.8251 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 1.4286 -2.8118 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3616 1.8332 2.1962 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -3.0272 0.1873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -0.7431 0.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 -2.5283 -0.7748 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -1.8436 0.6471 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1426 -1.7367 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -0.6244 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 -0.9119 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 -0.0424 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -2.0197 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 -0.2025 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 0.0633 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9607 1.3232 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2206 -0.6052 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 0.9069 -1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 1.1729 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0104 1.5946 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 2.1262 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 0.1978 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 1.5636 0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -1.9732 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -0.0168 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 -2.4802 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 -0.7409 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -0.2533 2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2937 -1.6671 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1556 -2.9058 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 2.4608 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 3.1923 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -0.2401 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 2.1886 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 25 1 0 0 0 0 13 17 2 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > 49786210 > 0.6 > 4 95 237 210 169 58 82 72 128 123 13 57 178 142 174 231 192 148 195 43 209 163 15 14 140 137 152 167 153 230 33 220 134 157 170 208 47 171 80 12 173 176 204 86 223 68 104 61 222 131 39 69 40 27 217 185 219 180 234 194 51 193 89 116 186 127 24 63 155 146 160 44 62 214 21 36 73 189 188 111 109 38 233 129 139 158 190 31 132 37 183 84 130 235 42 64 227 213 102 76 28 60 179 162 34 166 187 239 182 52 212 133 199 23 54 177 144 67 215 154 221 172 225 25 125 120 41 141 229 16 29 53 101 211 200 71 88 50 90 74 105 224 216 78 83 198 196 93 150 175 143 147 138 45 35 112 168 96 205 232 92 228 202 151 114 19 218 119 75 197 165 121 226 118 108 55 126 6 8 26 236 11 136 191 70 181 46 115 110 48 159 56 98 207 107 99 238 113 145 97 30 184 122 106 65 17 203 161 32 164 206 156 20 117 201 81 9 100 87 10 5 103 149 59 77 66 91 1 49 79 18 2 22 7 94 3 135 85 124 > 32 1 -0.18 10 -0.2 11 0.05 12 0.08 13 -0.15 14 -0.15 15 0.18 16 -0.15 17 0.18 18 0.19 19 -0.15 2 -0.18 20 -0.15 21 -0.15 22 -0.15 24 0.27 25 0.15 26 0.15 27 0.15 28 0.15 29 0.4 3 -0.19 30 0.15 31 0.15 32 0.15 33 0.15 4 -0.68 5 0.03 6 -0.57 7 0.6 8 0.01 9 -0.14 > 3 > 7 1 4 acceptor 1 4 donor 1 5 donor 3 5 6 8 cation 5 5 6 8 10 12 rings 6 11 15 16 20 21 22 rings 6 9 13 14 17 18 19 rings > 22 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 02F7AD6200000004 > 47.7155 > 35.522 > 10675989 125 16527751324680434492 10928967 22 10809338919440524320 11045515 52 17545023258011666607 11089746 13 17703780449798526472 11370993 144 16588569917037523402 11725454 13 16879887692223860479 12077114 3 17821440257737062343 12107183 9 18337386029564466010 121448 382 14908181984044422406 12403260 363 18267580406600571494 12422481 6 18043504232571002128 12633257 1 18260268563991786156 12892183 10 16515401850457083306 13103583 49 13407075847167682733 13402501 40 17895741912184923845 13544653 18 9655576327002813458 13583140 156 17385438808741374313 13675066 3 17312822650101758946 14251764 30 13767919084379278896 14790565 3 17682966845109666580 14950920 106 15213017189278799764 14957384 54 17894896430507622148 15188451 53 14996572845125383537 15342168 16 18270130024073727705 1601671 61 18408609188897748908 18219364 16 18187646864975942245 20645477 56 18260271828167093407 21033648 144 18337943588932815356 21033648 29 17604143731595028156 21095088 737 17914318315622743173 21713013 43 13973670759282158397 21864079 5 18125161537528260305 22182937 141 18339368551628084035 22393880 68 15267050437414502936 22749437 52 18413392059318450232 22950370 63 11530478909521482218 23402539 116 17632858629475592008 23559900 14 18201444641126201006 27216 239 18259990387887374275 283562 15 18266454506810566051 312425 83 16343436028639726436 350125 39 18267307727711471947 4259306 186 9871746884249607152 474 4 18342459192808895299 5081480 168 17770239170943785900 5104073 3 18262794190130906088 57724786 102 18337964415376829056 6328613 192 18338804524466455540 633830 44 18060146396843685046 7970288 3 11097857427625986904 9862522 239 18334849558647910372 > 433.38 10.81 2.82 1.6 6.19 0.92 0.28 -6.74 -1.97 -0.35 0.51 -2.81 -0.8 0.46 > 933.337 > 241.3 > 2 5 10 $$$$