5144758 -OEChem-05092423423D 54 56 0 0 0 0 0 0 0999 V2000 -4.7073 0.7939 2.4268 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -0.4187 -0.5714 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 2.0700 -1.7089 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -0.0811 2.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9189 -0.0931 0.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 -0.2958 -2.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 3.2976 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 -0.2671 -0.3302 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -0.2165 -1.7913 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 -2.0166 -0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 1.9373 -1.2659 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 -1.4907 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8259 0.1539 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 -1.4344 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 0.4577 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 0.8321 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3273 -2.6080 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 0.5873 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -2.5497 -1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.6568 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 0.8632 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4804 -3.7090 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 2.7729 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -3.6824 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 1.1050 1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 2.1746 0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 2.7035 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.8987 1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.5004 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 -2.4506 1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 0.5097 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 -0.7391 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4483 0.8127 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3413 1.1521 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8135 1.7142 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 -2.6366 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 -2.5382 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 0.4612 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -4.6020 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 3.8246 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 2.2481 -3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -4.5532 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 1.5153 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 2.7941 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 2.3090 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -2.1985 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -3.5946 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0726 -2.1211 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3859 -2.1844 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -2.0156 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3137 -3.5416 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 0.8150 4.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 1.3699 3.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7895 -0.2348 4.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 7 27 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 20 1 0 0 0 0 11 27 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 25 2 0 0 0 0 19 24 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > 5144758 > 1.2 > 2 179 158 119 198 111 128 143 180 114 84 120 25 45 106 76 105 132 123 147 95 129 56 122 193 154 150 141 82 39 182 172 133 19 37 161 171 8 157 92 99 188 86 192 65 4 175 200 7 63 190 173 204 151 70 59 103 13 3 178 83 127 189 176 107 202 112 51 197 203 104 6 94 66 101 113 195 136 155 191 85 134 194 164 144 1 156 73 88 160 90 196 125 44 62 162 126 9 138 36 108 187 152 168 27 118 30 12 71 146 23 40 75 5 53 68 130 201 117 96 28 22 115 137 77 18 46 174 170 142 43 121 169 35 100 33 55 79 52 181 80 26 145 11 110 131 186 67 57 64 41 74 124 50 60 199 78 139 42 205 69 109 17 10 34 163 177 24 98 15 47 97 89 81 32 58 183 38 54 102 159 31 166 20 153 72 16 61 116 93 135 148 185 140 14 21 29 149 165 49 167 91 87 48 184 > 39 1 -0.18 10 -0.85 11 -0.55 12 -0.15 13 0.26 14 0.23 15 0.24 16 0.28 17 -0.15 18 -0.01 19 -0.15 2 1.45 20 0.12 21 -0.15 22 -0.15 23 0.29 24 -0.15 25 0.18 26 -0.15 27 0.57 28 -0.15 29 0.36 3 -0.29 30 0.36 31 0.28 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.56 42 0.15 43 0.37 44 0.15 45 0.15 5 -0.65 6 -0.65 7 -0.57 8 0.05 9 -0.57 > 10 > 9 1 11 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 3 8 9 15 cation 5 8 9 12 14 15 rings 6 12 14 17 19 22 24 rings 6 18 20 21 25 26 28 rings > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 004E80B600000002 > 66.5499 > 45.798 > 11991303 11 16667720705874807172 12156800 1 17263551610158699144 12553582 1 18264225654811055365 12978246 48 18266466575552058055 13583140 156 17417237724257161425 14114206 34 16085057260259147476 14848160 33 17822584827766864492 15406563 42 17845359119492174114 17138139 8 17769376354968960813 17809404 112 18190445078728517293 20764821 26 17979638158398853799 20775530 9 18121506743444527390 21315759 227 18262245524943882895 21315764 371 17989208169893106712 21458453 9 18191566731609446568 23559900 14 18335703827579839623 25265897 201 16747859263003593579 3052486 1 18267859661332339082 339767 52 18335695057451851711 392239 28 17846202415056993970 463206 1 18338528524723396421 6287921 2 18198636431786833614 7288768 16 17127288966835516512 > 604.13 11.19 4.23 2.61 9.19 2.22 2.18 2.21 3.38 -1.97 -1.02 -1.68 -1.18 -1.14 > 1244.652 > 349.5 > 2 5 10 $$$$