60107094 -OEChem-03292409113D 32 34 0 0 0 0 0 0 0999 V2000 -0.0496 1.8883 0.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 0.9404 0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 0.1863 0.0499 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1193 -0.1915 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -0.8882 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 -1.4951 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -1.9357 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0345 0.6471 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 1.4135 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 0.1123 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6447 -0.7043 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1731 1.5817 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0853 0.4794 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.7826 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 -1.0536 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 0.2870 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 -1.5491 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 -0.8789 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 0.3778 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -2.0774 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 -2.9099 1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 2.2089 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 -1.5183 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 2.5137 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1394 0.6403 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 1.6892 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 -1.5813 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -2.4527 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -1.3180 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9468 1.0248 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 0.3749 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -0.6158 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 22 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 60107094 > 0.6 > 3 50 7 10 52 14 19 34 51 27 49 2 48 4 17 39 15 8 38 16 47 42 1 45 22 23 40 43 13 24 36 30 37 21 46 29 44 28 11 12 31 32 18 41 35 25 9 33 26 6 20 5 > 29 1 -0.57 10 0.09 11 -0.11 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.08 17 -0.15 18 -0.15 19 0.28 2 -0.36 20 0.15 21 0.15 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 0.33 4 -0.24 5 -0.2 6 -0.15 7 -0.15 8 0.57 9 -0.18 > 3 > 6 1 1 acceptor 1 2 acceptor 1 3 cation 5 3 4 5 6 7 rings 6 10 14 15 16 17 18 rings 6 3 5 9 11 12 13 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0395295600000003 > 62.8729 > 30.547 > 10366900 7 17632857529747524394 10906281 52 18340507615451680056 11128504 68 14333404584354171538 11315181 36 18201442497588951832 11401426 45 18412261748400943403 12011746 2 18201723959801819772 12236239 1 16515401876321767376 12916748 109 18041002821630946929 13533116 47 14979963519043601758 13544592 145 18337398123522126782 14386348 63 18341898501944974546 14573314 32 18410294687749592116 14790565 3 17619916050593827353 15196674 1 18411419475233699911 15219456 202 18342460330827490190 15375358 24 18412546509207074502 15788980 27 17676210173602987778 15961568 22 17895196674988179540 16988056 13 14580217057125042509 17834072 14 18413110545739580102 18186145 218 18336549300845988421 18222031 100 12463278185989039673 19141452 34 18201162143841571055 19489759 90 18186799183959316426 200 152 17203609272400307771 20279233 1 18412552011123484174 20645477 56 18334013895651638793 20645477 70 17774445984326510262 21267235 1 18261117413059876035 21279426 13 18194119620728992119 21682296 61 17273149999251710006 23402539 116 18334287690910137951 23557571 272 18334576832578000044 23559900 14 18410295766467092534 26918003 58 18411699898381065234 296302 2 18202003226484962134 3004659 81 18114181879254698794 33824 294 18273498944860347918 34934 24 18412259532303644990 351380 180 18410009944313350942 3545911 37 18412265038577909736 4214541 1 18334294279369104649 474 4 15194416777184123114 5104073 3 18339366257846594698 5283173 99 18337388227870315588 542803 24 15410898456886219786 573450 72 17821719555244566322 59755656 215 18340209601352465326 67856867 119 17823705355170962156 69090 78 18343300375286898543 9709674 26 18411706490797525703 > 374.29 11.67 1.74 0.89 6.5 0.13 0.09 -1.93 0.52 -0.93 -0.02 0.18 0.19 1.36 > 827.606 > 200.6 > 2 5 10 $$$$