53224534 -OEChem-04192419543D 38 40 0 0 0 0 0 0 0999 V2000 2.3870 -0.2052 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 2.2922 -0.9075 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0671 1.2012 0.9247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7143 0.3926 -0.9368 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -1.1540 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.9688 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.3717 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 -0.5341 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 -0.8806 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 0.1196 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -2.5338 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -2.3486 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -3.1309 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -0.8891 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 0.7604 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 0.4083 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5688 -0.2521 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 0.7070 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 0.9905 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 1.6903 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 1.3382 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8124 1.9793 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 1.3895 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 0.7051 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -1.3738 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -1.6298 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -3.1611 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 -2.8805 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -4.2051 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0866 -1.6345 1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 0.5458 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -0.0823 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 -0.5147 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 1.7241 -1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 2.1898 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 1.5637 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 2.7035 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1492 2.7466 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 23 1 0 0 0 0 2 38 1 0 0 0 0 3 23 2 0 0 0 0 4 8 2 0 0 0 0 4 19 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 53224534 > 0.8 > 2 45 23 44 34 61 11 52 38 42 46 37 43 16 7 53 31 49 13 51 48 32 6 20 28 18 41 40 25 8 60 29 19 5 39 35 50 36 55 56 57 24 59 30 27 4 14 58 1 26 54 12 47 17 9 33 22 10 15 21 3 > 35 1 -0.36 10 -0.14 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.09 19 0.16 2 -0.65 20 -0.15 21 -0.15 22 -0.15 23 0.63 24 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.5 4 -0.62 6 0.08 7 -0.15 8 0.31 9 0.42 > 5 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 23 anion 6 10 15 16 20 21 22 rings 6 4 8 14 17 18 19 rings 6 5 6 7 11 12 13 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032C245600000002 > 78.5813 > 40.656 > 10 15 17894635854920979673 10622 236 12254197361660876145 10753850 27 8790885172550956278 10939801 23 17822581615854625196 11823591 26 18412536613475973535 12390115 104 18271816755966923618 12403259 118 17968384549255505655 12596602 18 17240481433698561192 13540713 4 18268732595881836214 13540713 5 18268688606948135838 13631057 29 18058437868293175327 13668630 136 9439410129343186232 13673619 4 12251897097419812998 14123256 34 8718827604399051888 14251764 30 8862941675815033464 15183329 4 15195572290473583452 15510800 12 8286206088850368400 15519825 34 16081662191801690673 1768 4 18272098218644035697 17980427 23 17822015349806162255 1813 80 11963674361387732018 18222031 100 8214139668596085422 2026 5 8430315723813436321 20281389 69 18334575733002860656 20554085 129 17774988091067667618 21033648 29 18341042025753426400 21307412 95 11527936856177265837 21585481 104 15482124785932489185 21637258 2 11386371456523470679 22224240 67 18333732412464899275 23198884 109 15841837746153344513 23559900 14 17460897089635244815 249999 5 18336545993737865458 270888 7 18411979174265941886 2748736 6 18411412904007797912 2767999 5 18342735226162223280 2838139 119 18341320133122283748 2916195 48 18343581875795828210 293599 30 18413390951507005678 3014063 24 11818997396058099849 312425 54 15936410048256751752 3411729 13 18261672580295745474 3472631 163 18341897445947360204 3627633 1 17691404530646299495 3663271 9 17022902393455959624 465052 167 8142078780228272106 5104073 3 18114469946805723475 5219985 13 18411136943985587918 5385378 56 18410012092198289474 5718773 13 8574417713322344337 5758199 1 18343024380967623187 59682541 35 18261966210941851641 59682541 52 16343430518581021982 6327066 14 18411979173902016831 77188 2 17402331473484636774 7970288 3 9007059058661843204 8863177 126 10159393441381550717 > 450.74 19.37 2.59 1.1 3.98 1.35 -0.13 -18.99 -2.23 -0.43 0.44 0.55 -0.34 0.64 > 987.558 > 242.8 > 2 5 10 $$$$