13718584 -OEChem-05042414053D 35 37 0 0 0 0 0 0 0999 V2000 0.4500 1.9687 0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -2.7238 -0.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -0.2271 -0.1248 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 0.7316 0.1282 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -0.7904 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 0.3489 -1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.2326 1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 1.3402 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.3966 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.5759 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 0.8850 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.8312 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 -0.3910 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 -1.6479 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6705 -2.9190 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 2.0219 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6586 -0.4287 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 1.9822 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 0.7581 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3645 -1.6935 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 -1.0789 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 0.8579 -1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 -0.4608 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4773 1.0725 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6504 -0.2339 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 1.6873 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 2.2237 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3538 1.4303 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 -3.4126 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 -2.8513 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 -3.5664 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 2.9898 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -1.3712 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 2.9063 0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 0.7274 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 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 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 13718584 > 0.6 > 1 2 > 24 1 -0.57 10 -0.12 11 0.47 12 0.09 13 0.09 14 0.47 15 0.14 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 28 0.36 3 -0.84 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.9 5 0.37 6 0.37 7 0.27 8 0.27 9 0.11 > 2.2 > 8 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 4 donor 6 12 13 16 17 18 19 rings 6 3 4 5 6 7 8 rings 6 9 10 11 12 13 14 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 00D1543800000001 > 53.5105 > 40.618 > 10062212 137 18260826046256498355 10319926 262 18127671916470305800 10411042 1 17330555857261452278 10493431 412 18341620282975721049 10616163 171 18409451418144979219 10646746 165 18342455954545985432 10759866 29 18186526518451127212 10967382 1 18339082592731721013 11132069 177 18410573976561529541 11543360 7 15410883063961041533 12173636 292 18411696625246720764 12236239 1 17894911850015136796 12251169 10 18260825986406511544 12390115 104 18129679499510756297 12403814 3 17748823012534063925 12592029 89 18335991882741769051 12788726 201 17754746253382544554 13140716 1 18195531617535510603 13380535 76 18410012105040804755 13538477 17 18261391195618264558 13583140 156 17022619784381028969 14787075 74 17917136299674342553 14790565 3 18339940254894452089 15042514 8 18265900340012179547 15196674 1 18411137992062511635 15375358 24 18131633387159306948 15536298 74 18198906911568177639 15669948 3 18411135882885617694 16752209 62 18340204219035750182 16945 1 18411985771441353007 1813 80 16951685784612303946 18186145 218 18058460819579753756 20510252 161 18272937089759421433 20715895 44 17683509655407509933 21267235 1 18335993020623473322 21524375 3 18335701619929797379 2334 1 17907579486497655751 23366157 5 17971760973371194706 23402539 116 18343011207627829716 23463225 33 18261671467640096538 23557571 272 18129951194688333870 23559900 14 18272661130158632644 2748010 2 18122352276782001495 3091708 16 9195220682641351275 335352 9 18194683661810075406 350125 39 17978797813486614844 474 4 17169559716945523924 495365 180 17274815827670333854 5104073 3 18121508960338528545 53812653 166 18272082764950543705 58051976 378 18340486656169544365 633830 44 18129945568028066253 7064713 232 18338791222024273240 7097593 13 17969767610693388514 7364860 26 18054789486041382718 77492 1 17822289128322348734 9709674 26 18342745112945181118 > 369.31 7.87 2.57 0.87 2.02 1.37 -0.02 -3.63 -0.8 -1.11 0.17 0.87 -0.09 -0.43 > 803.575 > 200.6 > 2 5 10 $$$$