69466169 -OEChem-03292403513D 30 32 0 0 0 0 0 0 0999 V2000 5.7670 -2.2811 0.0012 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 0.7972 0.0025 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 -0.4554 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 -0.5113 -0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 1.5470 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 0.5212 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -0.2098 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 0.2387 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 1.7346 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 1.0169 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 -1.2832 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -1.2457 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 1.1171 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -0.9545 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.4084 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0371 0.5903 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -1.7099 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 0.3724 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3316 -0.7731 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 -1.5199 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 2.7262 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5086 2.0852 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -2.0417 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -2.2794 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0976 1.9513 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4721 2.4481 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8421 1.3195 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -2.7714 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3656 -1.1053 0.0021 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 6 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 10 22 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 18 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > 69466169 > 0.6 > 1 23 26 38 14 49 56 34 53 20 4 19 2 3 62 22 55 48 24 28 16 8 30 47 18 9 25 15 46 54 35 6 21 32 10 5 44 7 17 12 60 57 11 13 27 51 29 52 42 39 59 61 45 37 40 36 41 33 63 58 31 43 50 > 30 1 -0.18 10 0.08 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.18 16 -0.15 17 -0.15 18 -0.15 19 0.18 2 -0.18 20 -0.15 21 0.4 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.28 30 0.15 4 -0.58 5 -0.57 6 0.09 7 0.05 8 0.1 9 0.56 > 3 > 5 1 4 donor 3 4 5 9 cation 5 3 5 6 9 10 rings 6 7 11 12 17 18 20 rings 6 8 13 14 15 16 19 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0423F83900000001 > 51.0402 > 25.373 > 10 15 18339069502426186704 10595046 47 18410857672142113128 10968037 39 18409167727571305119 11315181 36 18202285823250016561 11524674 6 16630805517367465783 11719270 70 18130503050762809598 12091667 2 17385723599918348053 12107183 9 17690844454119626569 12166972 35 18040438789256629500 12236239 1 18410856546760168933 12516196 113 18201718474527566457 13073987 5 18272087154934738384 13167823 11 18410571781849351367 13288520 33 18411138052682566797 13533116 47 18335136463017528338 13685833 64 18335706070328351491 13862211 1 18342173375963315231 1420 363 18333454248501648995 14251732 16 18341331171420258584 14251764 18 18272655658523239001 14251764 46 16877942750152844729 14341114 176 18410859837069114580 14461889 52 18337386171239864338 14933364 13 18411139138433872189 15196674 1 18410855460149260805 15716309 27 18272369767798239855 15927050 60 17481701275392869932 17492 89 18197215846058943182 17834072 33 18411418427261452293 17844677 252 18411424990177702601 17857418 61 18410855455870332210 18222031 100 17240767268166907636 18335252 98 18336551602753501250 19489759 90 16877659059184187893 200 152 18343301465865453473 20028762 73 18341328908042072158 20645477 70 18339080394183673934 21065198 48 18271249326768443920 21130935 74 18272089374794981642 21150785 3 17458635510354418198 21236236 1 18341895143892914129 21267235 1 18341336609154855870 220451 1 18341619225928202983 23035841 295 18408604747379221435 23402539 116 18408881841452165551 23522609 53 18195558980361631904 23536379 177 18411419501261758865 23559900 14 18410568526654589913 239999 70 18342179951669151694 3004659 81 18260547805838625970 335352 9 18411134745937765229 34797466 226 17417820581515537036 3545911 37 18410855477967550420 4073 2 18041565848820271386 4214541 1 18410856530176729989 4325135 7 18408323310946388332 4463277 17 18411419514268207193 465052 167 18272936020512881838 5104073 3 18200589194992905544 5283173 99 18187920630571226997 542803 24 17167583790906244285 559249 180 18340767057926410255 59682541 35 18342729759423165192 59755656 215 18261958448897483486 59755656 520 17240477048231321802 67856867 119 18262522618579321837 7495541 125 17917706924639116584 999808 66 17895768395739137507 > 399.5 18.19 1.86 0.61 0.27 0.44 0 4.05 0.02 -0.97 0 -0.03 0.01 0 > 858.216 > 222.7 > 2 5 10 $$$$