1475345 -OEChem-04192416063D 38 39 0 1 0 0 0 0 0999 V2000 1.0763 1.9754 -1.2217 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 -3.9711 0.4181 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 -4.3319 -1.2205 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -1.1206 0.8837 S 0 0 1 0 0 0 0 0 0 0 0 0 2.8991 -1.4112 1.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6908 2.0345 0.4939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 -0.9813 -1.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 -1.6306 0.2145 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 1.1815 -0.6097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -0.4664 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 0.8986 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 2.0508 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 0.9849 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 3.3019 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 2.2360 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -2.6792 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 3.3946 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 -0.7007 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 -2.8237 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 -1.7078 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 -0.7561 1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 0.2643 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 0.1707 1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 1.1107 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 2.9767 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -0.4698 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 -1.1598 -0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2294 0.0913 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 4.2144 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 2.3081 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 4.3687 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -2.3138 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 -1.5054 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 0.3889 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2801 0.1523 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 3.5928 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6018 3.6383 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9126 2.4753 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 20 2 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 32 1 0 0 0 0 9 22 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M END > 1475345 > 0.8 > 1 81 91 135 113 134 86 145 58 87 214 31 99 211 153 217 177 82 158 76 148 157 178 98 207 107 29 83 57 89 172 186 66 97 219 139 204 181 123 136 50 174 146 48 205 112 84 149 65 23 155 106 19 32 133 176 175 188 74 108 208 56 117 101 33 68 184 213 215 95 206 218 124 96 222 187 199 102 18 171 46 209 116 34 79 36 210 3 189 196 90 43 119 115 80 125 30 185 173 47 130 122 88 193 63 92 159 142 78 70 13 67 60 202 121 35 93 85 160 183 161 69 4 40 62 169 12 24 179 104 216 55 143 197 75 137 200 182 28 38 21 53 110 201 61 151 37 220 132 72 192 163 168 190 103 195 39 45 64 41 5 194 167 162 166 152 180 140 156 49 150 59 154 165 77 94 170 126 191 138 25 42 131 118 100 141 26 212 51 2 105 7 52 221 73 198 20 16 6 22 164 127 14 128 129 71 111 120 144 8 147 203 109 44 10 54 114 15 17 9 11 27 > 33 1 -0.18 10 0.34 11 -0.14 12 0.18 13 -0.15 14 -0.15 15 -0.15 16 0.2 17 -0.15 18 0.12 19 0.15 2 -0.14 20 0.62 21 -0.15 22 0.16 23 -0.15 24 0.39 25 0.28 28 0.15 29 0.15 3 -0.14 30 0.15 31 0.15 32 0.37 33 0.15 34 0.15 35 0.15 4 0.25 5 -0.5 6 -0.36 7 -0.57 8 -0.55 9 -0.62 > 7 > 5 1 5 acceptor 1 7 acceptor 1 8 donor 6 11 12 13 14 15 17 rings 6 9 18 21 22 23 24 rings > 25 > 0 > 1 > 1 > 0 > 0 > 1 > 2 > 0016831100000001 > 73.1193 > 25.372 > 10382601 240 18113890590013472506 10937287 8 18340486784907448822 12107183 9 18337659915591758184 12422481 6 18043224934857776552 12633257 1 17968651610575211299 12788726 201 17401499637192508518 12925494 130 18263932051559545657 12978246 48 18265339588749691553 13878862 14 18043515128459725821 13965767 371 18187357740525275638 14251764 75 18340780333111867961 14363568 33 18337676287596218126 14790565 3 18191590959267008028 14955137 171 18262512569178866442 15420108 30 18338783611679730666 17810953 82 18410015407496381868 21033648 144 18187917379317413805 21033648 29 18271238434447058112 21475661 188 18408327678606309869 21864079 5 18411980290588323215 23559900 14 18123477085852066467 283562 15 17906724066209549550 3459 39 18200296853559493160 38695281 34 18411982481090060152 474 4 18270680853545296795 5048184 11 18267867357591804748 5104073 3 18115035113125455513 57724786 102 18199760137381924825 6523845 18 17908465568009740422 7808743 9 18197496444655986744 7970288 3 8574440823940282776 79837 15 17973165312071572866 9981440 41 18337958982332649923 > 496.38 11.67 5.35 1.32 9.53 2.97 0.13 -14.33 3.01 -3.21 -1.05 0.36 0.44 -0.1 > 1006.193 > 291.3 > 2 5 10 $$$$