70660448 -OEChem-05042407223D 47 50 0 1 0 0 0 0 0999 V2000 -0.0580 2.9888 -2.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 4.8215 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 -0.6991 0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -0.7937 -0.4353 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2645 -0.6258 1.0334 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9393 -1.4956 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8269 -0.0177 1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 -1.7845 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 -0.5641 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -1.5457 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -2.0201 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 0.7925 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 -1.2848 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -1.8828 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 1.5583 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 1.3299 2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2889 -2.2208 -1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -1.8645 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 2.8617 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 2.6333 2.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 3.3993 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.5406 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 -2.1841 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 -2.5223 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 3.6609 -1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 0.1714 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 -1.0755 2.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -0.1496 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 1.0580 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5538 -2.8145 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 -1.7176 -2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3842 -1.5121 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9821 0.1338 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -2.7122 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -2.2407 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8361 -1.4227 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -0.5600 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 1.1236 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 0.7452 3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -2.2328 -2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 -1.6180 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 3.0516 3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 4.4126 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 -2.8014 -2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -2.1724 1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 -2.7712 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 3.5363 -3.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 47 1 0 0 0 0 2 25 2 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 23 2 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > 70660448 > 0.8 > 1 13 22 23 16 25 9 8 11 24 15 14 19 20 3 17 5 21 12 2 4 10 6 18 7 > 33 1 -0.65 10 -0.17 11 -0.15 12 -0.14 14 0.03 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.09 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.63 3 -0.28 34 0.15 38 0.15 39 0.15 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.5 5 0.42 6 -0.14 7 0.14 8 0.14 > 4 > 7 1 1 acceptor 1 2 acceptor 3 1 2 25 anion 5 3 5 6 10 11 rings 6 12 15 16 19 20 21 rings 6 14 17 18 22 23 24 rings 6 3 4 6 7 8 9 rings > 25 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 0436316000000001 > 68.5554 > 35.649 > 10871710 139 17902551149377871716 11045515 52 18338520720462065998 11421498 54 17823700746212189283 11640471 11 16962646076572710377 12156800 1 17025122186925519836 12160290 23 17617679664789318642 12422481 6 18052502656685117032 12788726 201 17970628472241913394 133893 2 18267041615901279595 13681431 1 18339090366385331962 14181834 199 18200875179179004163 14415361 192 18262217951823529720 14556957 393 17899165770261516318 14840074 17 18120072126359045200 14910302 57 17127914352554901078 14955137 171 17914083965333426203 15439362 3 18265049326438412381 15463212 79 16750711958833516384 17357779 13 18056459687042487999 17899979 19 18261681493091304708 17980427 23 17417812812357171699 17980427 26 16483278664764015792 1813 80 18341052930084904058 18336668 15 18201720639301678387 18769570 83 18045227037951791961 18785283 64 18264778833988444355 20600515 1 18268170698062916454 20642791 239 18118714181662932782 21049683 118 11459569346871973575 21304303 282 17107030159544163310 21641784 216 18192453895658550038 21756936 100 15944570893988940677 22149856 69 17910681192412014771 22907989 373 17907869405416903118 23366157 5 18192988438165960091 23419403 2 18056734612146755232 23559900 14 18340760550993519451 25222932 49 15385757900301026036 283562 15 18122631556951945778 4017518 198 17840590628849397236 4394409 98 17464003476540483772 4409770 3 17760633777192020931 469060 322 18046652021832104746 5081480 168 18339347622458043221 7164475 11 17974007245989302854 7364860 26 18059569269087318099 81228 2 17980785752069282490 9981440 41 17480280706147900507 > 502.75 7.35 5.23 1.92 6.47 7.07 0.13 -9.08 0.73 -4.38 2.44 -0.46 1.55 0.2 > 1108.294 > 270.4 > 2 5 10 $$$$