132677 -OEChem-04242422263D 37 39 0 0 0 0 0 0 0999 V2000 0.7371 2.8732 -0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 2.7297 0.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 0.5510 -0.1871 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 0.4411 0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -1.8697 -0.0269 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 -2.7138 -0.3539 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -0.5421 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 -0.5482 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 -1.9105 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 2.0385 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 1.8709 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4069 1.7799 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 0.2872 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9634 0.1011 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 -2.5242 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4181 -2.4665 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -0.8078 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 1.1276 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 -1.0640 1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 0.8713 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -0.2246 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 3.0738 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 1.4156 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 -0.2648 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 1.0079 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 -0.5538 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -3.0467 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -3.3278 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -1.8719 -1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7696 -2.4528 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 -2.0015 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -3.5224 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.3852 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 1.9614 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9486 -1.8946 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 1.5191 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -0.4204 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 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 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 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 37 1 0 0 0 0 M END > 132677 > 0.6 > 1 > 26 1 -0.57 10 0.12 11 0.57 12 0.57 13 0.12 14 0.3 15 0.18 16 0.26 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 3 -0.24 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.42 5 0.31 6 -0.71 7 0.06 8 -0.09 9 0.11 > 1.6 > 7 1 1 acceptor 1 10 anion 1 2 acceptor 1 6 acceptor 5 5 6 7 8 9 rings 6 13 17 18 19 20 21 rings 7 3 4 7 8 10 11 12 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0002064500000001 > 103.3129 > 35.57 > 10411042 1 18051130594601242495 104564 63 18411699928023986006 10493431 412 18270124496319358313 10616163 171 18410294718110008822 10759866 29 18113625547708230324 10967382 1 18338798905498699870 11132069 177 18411416202700495160 11680986 33 18051415058837780726 12011746 2 18410571769301930021 12251169 10 18408604755568099408 12382932 28 18339642243886514994 12403814 3 18040714749352640517 12553582 1 18193830681431949830 12633257 1 18273224105312476889 13140716 1 18267592501491870497 14420673 8 18049435947426893714 14790565 3 18193006030557784948 15042514 8 18408882902182603922 15196674 1 18409729607840473324 15309172 13 18339924809748268408 15375462 189 18186800309604797120 15442244 35 18337670918538503104 16110190 28 17975111173360528706 16752209 62 18341036497640022566 16945 1 18412832391062674677 17804303 29 18270685379955107944 19422 9 18259983803702639170 19591789 44 18411140216829476590 20028762 73 18059010709134286287 20261772 1 18410019844181268035 20510252 161 18201161047885925808 21267235 1 18335990873525103082 22182313 1 18194131715900184079 2334 1 17834961145724211741 23402539 116 18270953657025287239 23419403 2 15332022941748059263 23463225 33 18335700559373516638 23557571 272 18272094941836896900 23559900 14 18200313213754106558 2748010 2 18050296873134969199 335352 9 18122623851843335806 34934 24 18261384577089706600 350125 39 18339364196362726489 465052 167 18115039601150073163 5104073 3 18409438181915175216 58807428 26 18120654630480510603 7064713 232 18343019947812599600 7097593 13 17825651271650784330 7471813 234 17697301173320049807 84936 31 16772103614839982134 90525 40 18411981394685185694 9862522 239 18340475677900410463 > 400.51 7.08 3.23 0.87 3.41 0.02 0.04 0 1.87 -2.16 -0.53 0.16 -0.08 -0.43 > 878.391 > 216.4 > 2 5 10 $$$$