33176 -OEChem-10091914373D 41 43 0 0 0 0 0 0 0999 V2000 -6.1031 0.0113 -2.4064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 2.7576 -0.9342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 0.6784 2.6591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -3.8943 -0.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -2.5945 -1.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -1.0840 0.7093 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 0.2178 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 0.9589 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 -1.1912 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.0568 1.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 -2.1803 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0412 0.7902 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 2.3389 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 -2.4822 1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 0.3518 1.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0239 2.1607 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 2.9251 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 0.2661 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -2.8767 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -0.1025 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 0.5600 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -0.1818 -1.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 0.4805 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8068 0.1097 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 1.9240 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -2.8968 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -1.7883 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 0.1538 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 2.9480 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 -2.8223 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 -2.3997 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -3.2544 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 3.9900 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 -0.3369 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 0.8514 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 -0.4722 -2.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 0.7105 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 2.5613 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 1.1561 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6521 1.4993 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 -4.3700 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > 33176 > 0.8 > 1 19 12 8 17 18 16 4 2 15 13 14 11 9 6 5 7 3 10 > 32 1 -0.18 10 -0.09 11 0.32 12 -0.15 13 -0.15 14 0.18 15 0.57 16 0.08 17 -0.15 18 0.09 19 0.66 2 -0.36 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.18 25 0.28 28 0.15 29 0.15 3 -0.57 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.65 41 0.5 5 -0.57 6 0.05 7 -0.15 9 -0.33 > 5 > 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 3 4 5 19 anion 5 6 7 8 9 10 rings 6 18 20 21 22 23 24 rings 6 7 8 12 13 16 17 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000819800000001 > 71.7292 > 45.821 > 10042902 136 17130711565516688446 105312 117 17897171427772184284 10693767 8 18130792231263972342 10928967 22 17056936775573042575 11578080 2 17168155550265240854 11725454 13 17313656169930650113 11796584 16 15195025820130816437 12035759 4 18059581303812229390 12403259 415 17167581575236038569 12553582 1 17975144136232036554 12730499 353 17967527991701963705 13009979 54 17559960917937918803 13149001 5 18188791473254515482 13257819 101 17386281107842257388 13911987 19 18192445271064259980 14508225 48 17976264539208305214 15342816 4 16629946816155516273 15475509 84 8574173672927378903 15842332 3 17630906922746631777 17818456 19 17342666561176310769 1813 80 18126840491314687375 20645477 70 18335707134662381555 21065201 7 14836128749899361761 21120745 212 15585644677676341451 21304303 282 17191471995707159104 21344244 246 18412548725864159710 21521239 73 18059578022652413828 22182313 1 17822876254377777915 22907989 373 17324656959770394300 23114952 82 18334575724286124237 23557571 272 16733280022582296425 23559900 14 18194979658979289292 23566358 2 18337687415397702299 23598291 2 18200595774809098913 238 59 18335697277928656387 25 1 18262237827850662384 25147074 1 17845387560813112921 25222932 49 16054025979827516391 266924 1 17988093200831403329 2838139 119 17459176555247045476 3060560 45 18338515356575505564 312425 83 18263061263961109853 3380486 77 18043516231976482538 34797466 226 18114731691150588223 350125 39 17612894980979990104 376196 1 18043243750550532288 392239 28 7850703813927978349 4280585 95 18123747552664203742 44802255 64 17608394633581866500 46194498 28 18263067856487989279 53917941 68 17908981351117964628 59682541 52 18338502063746222341 5969126 39 17906452130940440902 633830 44 18262521382287493433 70251023 43 18193553368283576891 7471813 234 18268424629556237080 > 487.9 10.21 3.45 1.92 9.8 2.04 0.02 -3.74 -7.08 -6.65 -0.89 1.98 0.38 -0.24 > 1062.079 > 270.5 > 2 5 10 $$$$