5493381 -OEChem-04192415273D 43 46 0 0 0 0 0 0 0999 V2000 -1.8776 -3.5270 -0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 3.1262 0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 2.1664 1.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 2.4052 -1.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 0.2296 0.0374 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 1.0802 0.1117 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -0.9793 -0.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 -1.0876 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 0.3564 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 0.6938 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1731 -2.2699 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 0.8527 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0132 1.0230 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 0.8358 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 -3.5230 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -2.3810 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 2.3386 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 0.0131 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 1.4799 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 1.2928 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 1.6149 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 -4.8051 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2141 -3.5801 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0347 2.8331 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 0.5471 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -4.8001 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0543 1.9721 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 2.0921 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 2.0876 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 -1.7502 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.9222 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 0.5883 2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -1.5338 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5261 -1.0634 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 1.7254 -2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 1.3827 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 -5.7305 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -3.6634 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 3.9012 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7349 -0.0825 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -5.7358 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0765 2.3357 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9043 2.4897 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 17 2 0 0 0 0 3 28 1 0 0 0 0 3 43 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 14 20 2 0 0 0 0 14 32 1 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 16 33 1 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 28 1 0 0 0 0 22 26 2 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END > 5493381 > 0.6 > 1 > 43 1 -0.57 10 0.1 11 0.01 12 0.01 13 -0.15 14 -0.15 15 0.54 16 -0.15 17 0.54 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.09 22 -0.14 23 -0.15 24 -0.14 25 -0.15 26 -0.15 27 -0.15 28 0.63 29 0.4 3 -0.65 30 0.4 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.5 5 -0.2 6 -0.5 7 -0.6 8 0.2 9 0.2 > 2.6 > 12 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 donor 1 7 cation 1 7 donor 3 3 4 28 anion 5 5 6 7 8 9 rings 6 10 13 14 19 20 21 rings 6 11 15 16 22 23 26 rings 6 12 17 18 24 25 27 rings > 28 > 0 > 0 > 2 > 0 > 0 > 1 > 11 > 0053D28500000001 > 139.2441 > 61.026 > 10411042 1 17401767423919191787 107951 10 18341900739865802374 10940486 97 18045788055186521556 1100329 8 18339641127660073066 11049842 53 18189640348545583598 11136131 41 18261666000247956515 11582403 64 16914497148253070368 11963148 33 18336260254486448819 12107183 9 18334846235308619936 12236239 1 17822006549254856040 12293681 160 17917716802821525592 12597179 24 18200882867587286630 12788726 201 17612608021387973574 13140716 1 18336543828878903067 13540713 5 17986105207348259481 13757389 114 18192724559907404844 138480 1 17834395618421485354 13955234 65 18193564363426235283 14790565 3 18410856568530761904 15230672 131 18408608072617799550 15439362 3 18265615390058032708 15664445 248 17696765354374681918 15927050 60 18413387652703785974 167882 2 18337675196014998995 17913733 40 18339943553449519179 18785283 64 18191301576785539178 20554085 129 18129928053362352120 21033648 29 18270674385113994936 21133410 127 17969225521149114084 21133410 221 17055242445023734152 21796203 349 17331721983847560987 22149856 69 18192174663256414521 23366157 5 18044941173328815171 23559900 14 17978500937442853265 23598288 3 17681849731929645438 23929065 36 17839443824576530642 249999 5 18338797793181635859 3411729 13 18262234426178223530 350125 39 18265896852302919797 38695281 34 18409730655907692546 4058900 60 18338808831221076656 5104073 3 18266748970453455057 5265222 85 18122074354149563044 5385378 56 18339367357590505921 57124632 79 18338790100821030832 59755656 215 18338238154547558724 59755656 520 18410006676128166676 6058803 2 17912919488610189193 6443956 14 17763182440660431811 6669772 16 18342462530141286446 67856867 119 18194962946775230501 77188 2 17473826121736938422 7808743 9 18337670944351083152 9981440 41 18408326605249484755 > 537.81 12.09 5.93 0.89 5.09 9.03 -0.01 -16.28 -0.14 -3.62 0.02 -0.99 -0.47 -0.31 > 1193.725 > 282.1 > 2 5 10 $$$$