2368804 -OEChem-04242416363D 43 45 0 0 0 0 0 0 0999 V2000 -1.2990 -1.5117 -0.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.3295 -0.1205 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 0.5265 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -0.5376 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 1.6020 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 0.2070 -0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 1.5464 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -0.0287 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 -1.9908 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 2.7706 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -0.3507 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2809 -0.0263 1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 -0.3835 -1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5055 0.2801 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 -0.3865 1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8755 -0.7439 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 -0.7454 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0102 -0.9728 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 1.2863 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2468 -0.2133 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 -1.2193 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7422 1.0394 0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7122 -0.4772 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 2.3930 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 -2.5145 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 -2.2252 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -2.4133 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 3.6878 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 2.9146 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 2.6527 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.2506 2.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -0.3868 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 1.4608 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 -0.3880 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 -1.0236 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4479 -1.0260 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -1.8055 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 2.2671 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7632 -2.1997 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4067 1.8307 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 0.4359 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0264 -1.2087 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9672 -0.8624 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 33 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 24 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > 2368804 > 0.6 > 2 5 4 1 6 3 > 34 1 -0.57 10 0.18 11 0.72 12 -0.15 13 -0.15 14 0.12 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 0.33 20 -0.14 21 -0.15 22 -0.15 23 0.14 24 0.15 3 -0.55 31 0.15 32 0.15 33 0.37 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.33 40 0.15 5 -0.33 6 -0.09 7 -0.15 8 -0.02 9 0.18 > 4 > 6 1 1 acceptor 1 2 cation 1 3 donor 5 2 4 5 6 7 rings 6 14 18 19 20 21 22 rings 6 8 12 13 15 16 17 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0024252400000002 > 82.5892 > 30.446 > 10 15 18131062762389270498 10299344 5 17530686497967682059 10354089 29 18410856551060612435 10366900 7 17603589625127033681 106641 1 18410848889682949696 11315181 36 18408889547130059097 11646440 116 17989492922114630377 11719270 70 18413107247273833839 11963148 33 18186795889863112122 12166972 35 18272934933454003288 12236239 1 18272652367771292077 12516196 113 18341894082328791960 12616971 3 18343017843816506373 13140716 1 18336824316212906968 13533116 47 16486981648591727934 13540713 5 18051120686612064966 13668630 136 13984666953986937737 13685833 64 18187365436753215856 13692114 37 18339918337576263299 13862211 1 18261390031803531098 14123256 10 9511461126115798251 14170010 4 18202003222385186646 14251764 18 18408886260641437532 14739800 52 17701534245763771712 14849402 71 18339361997593243896 15183329 4 18259987067645565123 15348495 7 17560511919128681995 15461852 350 16988553620429779013 15475509 35 16660905735115847992 1577012 14 18271528710259650805 15788980 27 17346878957419673653 15849732 13 17988924465881169140 1813 80 17822014177416818156 18222031 100 18408608046151526880 18681886 176 18272647973814065635 19141452 34 18060694014069970902 19489759 90 18273496763090229953 20028762 73 18342174483611606398 20281389 69 13830130576811319923 21033648 29 17274241869082516440 21150785 3 13551193299086935739 21267235 1 18410300211483638493 21521721 280 15719401637595955756 21709351 56 18410005542378210853 221357 26 13479131289949540302 22224240 67 18411131446522141170 22956985 138 17682106683060958402 23402539 116 17203321217634095517 23522609 53 17824290157427817036 23536379 177 15985385568701395110 23559900 14 17968660552792138169 23569943 247 17982462490375739034 23622692 88 18412542119687129903 24771293 8 18199733912723559040 25147074 1 18267015253444751444 3004659 81 18408609179379529292 335352 9 18409732880289334630 3411729 13 18266737081884233032 350125 39 18409449180609520997 3545911 37 18272653428960672983 397830 11 16844433007061232682 4073 2 17896045501673473395 4325135 7 10592046855684159371 4340502 62 15626225710632594332 465052 167 17967816046341841794 5104073 3 18338239391962370545 5385378 56 18059304141183734823 54446538 1 18412829088496899345 59755656 215 18271812285000771479 59755656 520 14836397026483939429 67856867 119 18340203089728389649 7495541 125 17458067088201061820 8863177 126 17605006985957237307 > 457.5 18.39 1.77 0.98 15.62 0.81 -0.21 -3.75 -3.66 -0.6 0.24 -1.21 -0.06 -0.66 > 998.949 > 252.1 > 2 5 10 $$$$