49778841 -OEChem-04262400333D 33 35 0 1 0 0 0 0 0999 V2000 1.9164 2.3453 -0.1586 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 2.5010 -0.4105 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -0.1419 -1.6823 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -2.8597 0.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 -0.6331 0.6724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 -2.0200 -0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2671 -1.5366 1.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0245 -1.4215 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.5145 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -0.7355 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -0.0355 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -1.5967 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 -0.7919 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 0.6943 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 1.3566 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 -0.7926 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2302 0.1393 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4095 1.6254 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3112 1.3479 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 1.9920 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.1573 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 1.2350 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -1.3936 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.0751 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -1.9357 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1955 -1.7237 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 0.9233 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4084 -1.8792 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 2.5632 1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 -3.4842 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6432 3.0760 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 -0.7465 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 1.7295 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 30 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 2 0 0 0 0 9 14 1 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 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 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 2 0 0 0 0 18 19 1 0 0 0 0 18 29 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 > 49778841 > 0.6 > 1 176 195 214 226 220 76 150 215 72 75 27 189 149 212 230 155 44 51 185 218 180 192 67 166 144 168 222 71 210 116 45 187 29 163 228 126 142 205 158 162 178 140 33 123 160 65 202 122 124 73 91 61 156 170 177 139 49 62 81 147 182 173 43 26 37 127 209 47 129 221 159 136 46 38 97 64 115 167 213 99 105 112 88 39 78 92 179 87 194 143 145 130 207 165 138 119 41 232 219 28 175 137 110 206 204 90 191 223 135 196 229 85 63 83 19 193 93 164 217 114 186 60 132 113 181 151 121 80 199 134 59 227 233 111 174 208 89 52 171 30 84 231 216 20 201 133 183 109 200 131 198 31 53 36 152 118 117 225 24 190 197 34 35 101 82 94 86 23 32 157 153 25 125 146 224 57 22 14 128 11 161 70 172 103 12 56 13 108 100 120 188 40 50 104 154 16 98 211 141 79 148 102 96 184 4 48 21 15 3 203 107 77 58 74 169 10 106 55 7 68 95 66 9 8 18 2 69 54 42 17 5 6 > 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 0.19 18 -0.15 19 0.18 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 0.15 3 -0.19 30 0.4 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 > 02F7909900000001 > 46.3822 > 35.522 > 11089746 13 18408879647014144346 11552529 35 13696166161629598129 11796584 16 10159436283595509696 12107183 9 18116705228127786930 12507557 5 18334861666086935984 12596602 18 13551481353521248533 12633257 1 18113610184425739402 12769317 202 18266166245842958577 13103583 49 12107788463200073013 13402501 40 18334857182226163661 13583140 156 17603590758987753355 14123255 352 18410014329575225872 14251764 38 18337113495902472133 14790565 3 17686350072400538644 15196674 1 18411141354953573072 15461852 350 17346593123884496926 15537594 2 8574713511619127376 17349148 13 18201723937920931530 17780758 139 12179839511428318869 20281475 54 8718822080934095754 20715895 44 18338518538708545312 21033648 144 18335414716283340508 21033648 29 17095514072254813389 21298829 104 18270684147743606217 21421861 104 17604134936546303394 22950370 63 8574711312632561014 23227448 37 18411421713655349333 23402539 116 18342454824816443300 235170 7 14404912353632433640 23559900 14 18270688554543380578 23622692 88 13117999994330709947 2838139 119 18410289211729930820 3472631 163 18340204069255149093 351380 180 18411136931084341676 351380 3 9439403523345835748 4017518 198 17203332175019575462 4325135 7 18341612646903546855 46194498 28 13398327067615951729 474 4 18339927021935786371 5104073 3 17822009796044079594 5486654 36 8502368949631084461 56616090 46 18261398823422393818 57724786 102 17531259378091577972 6328613 192 18261403290895491252 7970288 3 10519402127181132221 83771 10 8718828673824920026 9981440 41 18410294726563255307 > 433.38 13.08 2.65 1.09 2.3 0.22 -0.03 7.92 -2 -0.84 0.07 -1.08 -0.23 0.36 > 933.695 > 241.1 > 2 5 10 $$$$