25162755 -OEChem-03282407243D 66 68 0 0 0 0 0 0 0999 V2000 -2.9456 0.2079 -4.5172 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -1.1027 1.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -3.3656 1.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4580 0.2484 0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 0.7821 1.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 -2.8904 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.5195 3.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 0.1068 -0.5745 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -2.5093 -0.5663 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -1.5449 1.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -0.1059 -1.8941 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 -1.7580 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -0.5929 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 1.3673 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -3.4969 -1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 -2.3092 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -0.3445 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 2.5008 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 -2.2861 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -1.2356 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -4.8561 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 1.2154 3.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 -0.1626 3.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 3.1973 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 2.8568 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 1.6966 1.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 -0.1798 2.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 4.2500 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 3.9095 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 4.6061 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 0.6352 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 -0.5758 -0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 1.7138 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 -0.7084 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8597 -1.7402 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 1.5813 -2.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 0.3702 -2.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 1.2295 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 1.6342 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 -3.5811 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 -3.1491 -2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7201 -1.8930 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 -0.2700 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 -1.5412 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -4.8497 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -5.1812 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -5.6028 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 -0.6309 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7414 0.6962 -2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 1.1559 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 1.9413 3.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 -0.9152 2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -0.4708 4.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 2.9399 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 2.3333 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 2.6799 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 1.7998 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 4.7934 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3301 4.1879 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 5.4259 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3398 2.6841 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -1.6523 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 -2.0716 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 -1.4682 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -2.5930 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 2.4318 -2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 19 2 0 0 0 0 7 27 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 21 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 27 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 33 61 1 0 0 0 0 34 37 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 M END > 25162755 > 1.4 > 1 188 69 95 45 117 129 135 232 110 165 27 227 81 115 218 190 223 31 17 217 142 47 105 7 161 144 225 168 121 178 195 230 104 219 34 184 158 170 154 66 58 205 51 137 112 119 160 102 200 92 207 98 10 147 101 197 114 106 107 146 48 41 149 181 55 171 143 126 202 82 198 234 231 61 173 68 74 35 56 70 134 122 193 76 138 79 224 77 157 155 174 120 20 3 229 89 46 130 203 128 71 140 94 182 93 139 96 183 73 210 141 208 83 215 80 191 169 30 228 127 75 189 187 18 64 39 37 100 65 192 8 216 220 204 87 44 150 164 213 32 124 156 201 185 38 2 88 152 176 162 222 186 52 159 116 206 131 28 166 151 91 118 97 211 109 214 15 53 62 50 59 111 194 60 212 136 145 29 72 175 167 67 57 78 163 36 99 226 22 179 125 26 123 43 180 113 209 103 84 86 13 54 49 153 148 85 233 108 196 90 12 133 199 33 42 132 14 24 9 16 21 19 6 172 177 40 11 63 5 221 4 23 25 > 46 1 -0.18 10 -0.49 11 -0.9 12 0.12 13 0.21 14 0.44 15 0.3 16 0.62 17 0.69 18 -0.14 19 0.57 2 -0.43 20 0.34 23 0.06 24 -0.15 25 -0.15 26 0.28 27 0.66 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 0.08 32 -0.14 33 -0.15 34 -0.15 35 0.14 36 -0.15 37 0.18 4 -0.57 42 0.37 48 0.4 49 0.4 5 -0.36 54 0.15 55 0.15 58 0.15 59 0.15 6 -0.57 60 0.15 61 0.15 62 0.15 66 0.15 7 -0.57 8 -0.47 9 -0.47 > 13 > 11 1 10 donor 1 11 cation 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 6 18 24 25 28 29 30 rings 6 31 32 33 34 36 37 rings 6 8 10 12 13 16 17 rings > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 8 > 017FF40300000001 > 115.0321 > 55.823 > 11828532 37 16227195762910297377 12128747 34 16805599266149385106 12156800 1 16176442477680535589 12655364 131 17913180304831851288 13583140 156 17895203237159598266 1361 2 17830452035923176901 14279260 333 16530338428053207311 14289585 56 17696499298372092758 15297060 5 15337459786455667777 161222 10 16702037347765167064 17921350 177 17459462428539577796 17974551 9 16950831557854328122 19315092 285 17629168745467249717 19319366 153 17917720093489289867 20764821 26 18265063598514731092 3493558 16 17480534611950914712 50150288 127 17194630888255599957 508706 21 16443345330445854613 5252454 2 17902821852250212036 > 708.17 9.55 5.5 3.73 1.99 0.38 -0.17 1.72 0.5 -6.1 1.02 5.61 0.83 -0.95 > 1489.555 > 397.4 > 2 5 10 $$$$