101106 -OEChem-03292408213D 33 34 0 0 0 0 0 0 0999 V2000 -0.1615 -1.7575 1.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 -2.3884 -0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 0.9611 -0.2926 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 -0.0961 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 0.1222 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 0.8024 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 0.0338 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 0.6680 1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 0.1547 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 -1.5365 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 0.9003 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0402 -0.6015 -0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 1.1371 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 -0.3737 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 1.3648 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 0.6094 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 1.1127 -1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -0.6035 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 0.6001 2.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 1.8592 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -0.9924 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 0.2976 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 1.3825 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 -0.3340 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 1.1622 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -0.0941 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 1.6277 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 -1.3763 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 1.7463 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 -0.9629 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 2.1284 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -2.6857 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0821 0.7861 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 32 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 33 1 0 0 0 0 M END > 101106 > 0.6 > 2 13 11 8 15 4 10 3 14 1 5 6 9 7 12 16 > 20 1 -0.65 10 0.66 11 0.27 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 2 -0.57 28 0.15 29 0.15 3 -0.81 30 0.15 31 0.15 32 0.5 33 0.15 4 0.2 7 0.27 8 0.27 9 -0.14 > 3.2 > 6 1 1 acceptor 1 2 acceptor 1 3 cation 3 1 2 10 anion 6 3 4 5 6 7 8 rings 6 9 12 13 14 15 16 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00018AF200000002 > 42.3631 > 30.502 > 10219947 1 17385997360490113012 10922049 32 18410015459209666562 11031198 65 18409454656797766121 12119455 92 17312816091486114332 12138202 97 18268997664330389094 12251169 10 12179842818500551356 12326174 3 17096082468221471547 12491281 212 18342741814320263043 12932764 1 18200311018535415489 13296909 8 12612749142517095367 13705890 14 15985104128348153916 14943859 89 18343866632074766432 14993402 34 17822284734233272988 15309172 13 17458343052344289489 15375462 478 14129055928288499319 15775835 57 18341614785090365353 15852999 172 18113903770714677170 16945 1 18201428224900729051 1813 80 17758674451993755586 18175812 5 12757146900628086132 18186145 218 18410862044587482964 200 152 14333136269073080468 201361 129 18340208462341775057 204376 136 17749393697438488472 20671657 53 14979689796788951256 21296965 67 11527955547061983154 21501502 16 18058165038356831623 21524375 3 18261110798467270646 23175994 123 13758362188785914313 23402539 116 18342452660432949372 23402655 69 17346601829177141905 23419403 2 16554525991599244203 23493267 7 17418375783606009895 23526113 38 17988937669064174352 23559900 14 17059784282807119726 25 1 18411141316077132944 2748010 2 17766541827114806113 276578 36 18259703384950130426 296302 2 15068336809012447005 305870 269 18335701589827973074 4340502 62 17968388870820481985 474 4 18408891758157664228 633830 44 18341896298595311348 7364860 26 18057322790616864567 8030462 33 18343012260422207773 81228 2 17465381219542204090 9981440 41 17337289227751632320 > 312.55 6.48 1.61 1.32 0.21 0.6 -0.14 -2.61 1.72 -0.01 -0.49 0.29 0.28 -0.33 > 659.588 > 174.6 > 2 5 10 $$$$