5341149 -OEChem-06191321403D 36 38 0 0 0 0 0 0 0999 V2000 6.2677 2.3173 -0.5151 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6122 -0.6262 -0.4766 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -1.8915 1.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8588 0.0308 -1.5265 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2520 -1.2850 -2.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 0.0184 0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 1.0641 -0.5224 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7125 -0.4655 -1.4066 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.3160 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 0.8847 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 -0.8871 0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 -0.1166 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.8161 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -0.2461 0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 1.7844 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 1.0144 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -1.3861 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -0.6261 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3399 0.6555 1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 -0.0875 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 0.8777 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -1.5229 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 1.1941 1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4031 0.8225 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9063 -0.3911 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 -1.7262 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 2.2286 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 1.2589 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 2.6091 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 2.0075 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 -2.2976 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 -1.3379 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 0.9523 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5381 -2.5196 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 1.9029 2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3931 1.2625 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 25 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 24 36 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > 5341149 > 0.6 > 1 4 10 12 8 5 6 7 9 3 2 11 > 33 1 -0.18 10 0.37 11 0.62 12 0.12 13 -0.18 14 0.03 15 0.06 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.18 20 0.13 21 0.18 22 -0.15 23 -0.15 24 -0.15 25 0.18 26 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.52 5 -0.52 6 -0.11 7 -0.51 8 0.91 9 0.03 > 3.2 > 8 1 3 acceptor 1 4 acceptor 1 4 anion 1 5 acceptor 1 7 acceptor 5 6 7 9 10 11 rings 6 12 16 17 21 22 25 rings 6 14 18 19 20 23 24 rings > 25 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 00517FDD00000001 > 92.5655 > 40.68 > 10595046 47 17989491805407165800 10835480 77 18261395615514515772 10912923 1 17989212520821623778 11089746 13 18272374174434562432 11315181 36 17775286062675683945 12107183 9 17264708923171216026 12236239 1 18130791152556864400 12516196 113 18334860527873382968 12596602 18 16988842774596660970 12838862 33 18186793709068088496 13288520 33 17060336327991439683 13533116 47 16950276275003034610 13583140 156 15410605935744195211 13782708 43 15051729802587376413 14528608 73 18131355228277066016 14856354 85 17346882273472108197 15183329 4 18410008823480114342 15876981 60 17775293750799831561 16079462 125 17167858686077453460 17093844 174 16371010736412748217 17834072 33 17917993879751360713 18769570 83 13767920209191205615 19489759 90 17060624373835564315 200 152 18412545397074185225 21033648 29 16660642994110903933 21054139 6 17847057787600677510 21150785 3 18272649082142422863 21236236 1 18188774942125774925 21315759 40 17703514316270942826 21792961 116 16515405131717080417 21859007 373 16370992032136207908 220451 1 17346608456126771155 221357 26 18408887309446959516 23081809 10 18131075926395480240 23402539 116 17917714578281491289 23522609 53 17987263117045505792 23536379 177 17775571905554889882 23559900 14 18261396719099688360 23569914 152 16962070533780706095 2838139 119 18408891719703249824 29717793 49 18060430088719670710 3009799 131 17676483947381745949 335352 9 18408329883275103286 34797466 226 16056602101058734536 4015057 19 18335707203588203889 4073 2 18041853921125218194 4169191 19 18115317816226273612 4325135 7 18343584027811612662 5104073 3 18187936144356389594 5171179 24 18341880923019469921 54039377 194 18130223887327759055 59755656 215 17894916188001015458 7226269 152 16732989729679336088 7495541 125 15841546405272869002 > 485.68 18.76 1.69 1.43 7.02 0.39 -0.14 1.11 -5.95 1.95 -0.02 -3.19 -0.18 -1.31 > 1046.075 > 269.9 > 2 5 10 $$$$