2185539 -OEChem-04232403183D 43 45 0 0 0 0 0 0 0999 V2000 -1.8891 -2.9364 -0.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -1.0811 0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 3.0029 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 3.9481 0.6838 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 -0.7110 0.9121 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1378 -1.4379 -1.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 -0.4710 1.0271 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -0.8072 -0.1086 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6313 0.6834 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 1.6454 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 1.1095 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 -1.7009 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -0.3019 0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1042 0.7251 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6784 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 -2.5710 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 2.9957 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 1.0331 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 -3.0734 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 1.1354 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 0.3357 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 -3.8227 -1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 -3.7081 -1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 0.5225 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6723 -0.2771 -1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 -0.1836 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 4.2682 -1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3104 -1.4967 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -2.2285 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 0.5629 2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 -0.0314 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 1.6969 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 2.7098 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 -2.9300 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 1.6824 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 0.2558 -2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 -4.3767 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -4.0940 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 0.6160 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -0.8190 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 4.9958 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 4.6231 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 4.1336 -3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 17 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 21 25 2 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > 2185539 > 0.8 > 2 4 11 9 7 10 8 1 5 3 6 > 35 1 -0.28 10 0.01 11 0.01 12 0.48 13 0.62 14 0.14 15 -0.18 16 -0.04 17 0.71 18 0.03 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.01 24 -0.15 25 -0.15 26 0.13 27 0.28 3 -0.43 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 5 -0.52 6 -0.52 7 -0.47 8 0.91 9 -0.03 > 6.2 > 9 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 5 anion 1 6 acceptor 5 1 16 19 22 23 rings 5 7 9 10 11 13 rings 6 18 20 21 24 25 26 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0021594300000002 > 77.0993 > 45.756 > 10483366 6 18339908373921303071 11796584 16 18267306418580162594 12160290 23 18334587819347066401 12236239 1 16950576449998670128 12403259 226 18271524320444371728 12422481 6 17701847533468148075 12553582 1 17906190777157154483 12643181 29 18123193399515935318 13004483 165 18198903810791713503 13140716 1 18263657323501281417 13583140 156 17846208965304009242 13690498 29 18338251430992954382 13757389 114 18117006485597567796 14114206 34 17676766573631062705 14508225 48 18264201594620631645 14747281 78 12470292992786121362 15042514 8 18410301341228959619 15131766 46 15360269330871875991 15361156 5 18262253208661058776 17539 30 18408597085131321629 17980427 26 16980142115801050433 1813 80 18050289468622250951 19141452 34 18200888347849342731 21304303 282 17831254447251033013 21344244 181 18200027314591803477 21703447 108 18195230342743754424 23536364 44 18191003764391739911 23559900 14 18412544332002034376 23622692 118 18339923839539047854 255183 313 18269572576200506769 26353 1 17973160927094138365 38695281 34 17903912254019900317 397830 11 17988350569174539954 44062 13 18412549782320495634 4409770 3 18336822010026693101 46194498 28 17253405312889896647 463206 1 18120090838640562026 5080951 261 18129079217237023383 508706 21 18342187639307398486 59025328 239 17480552264382585215 5924683 9 18343020025343621642 59755656 520 18197780990498196145 613672 6 17974842075661601466 6669772 16 17981886342081535517 6677587 24 15028012517054635383 7164475 11 18336545044438563212 7399639 24 17699554051254961504 7970288 3 18122348153208300482 > 510.47 10.95 5.1 1.47 19.29 1.66 -0.36 -7.52 -0.58 -9.47 -2.74 -0.46 0.23 0.34 > 1114.949 > 278.8 > 2 5 10 $$$$