1824316 -OEChem-03292411123D 38 40 0 0 0 0 0 0 0999 V2000 -1.4188 3.7953 0.0324 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 4.1687 1.2463 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 4.1575 -0.9290 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 -1.3464 0.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 -2.1192 -0.1893 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8543 -1.8238 -0.5128 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 0.2273 -1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 0.1923 0.2334 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 1.5767 0.2362 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.0544 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1945 2.0936 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.6894 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 -0.2281 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -0.3347 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 -1.9425 0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.1989 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 3.5558 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -1.2215 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 -2.8292 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4555 -2.4689 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 0.0850 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.2494 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 -0.8470 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3468 -0.8342 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7058 -0.7334 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -2.0656 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0688 -2.8711 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6849 0.6345 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 2.1693 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 -2.2504 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -3.7964 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 -3.1889 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 -0.9296 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8234 1.2553 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2963 0.1720 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2103 -2.3974 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9191 -3.9409 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 -1.5610 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 13 2 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 38 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 16 29 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 M END > 1824316 > 0.8 > 1 9 15 11 18 16 14 17 4 7 13 8 12 5 6 10 2 3 > 38 1 -0.34 10 0.03 11 0.37 12 0.12 13 0.62 14 -0.15 15 -0.15 16 -0.15 17 1.08 18 0.09 19 -0.15 2 -0.34 20 -0.15 21 -0.15 22 -0.11 23 0.63 24 0.09 25 -0.15 26 -0.15 27 -0.01 28 0.15 29 0.15 3 -0.34 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 -0.57 5 -0.28 6 -0.65 7 -0.57 8 -0.11 9 -0.51 > 5.2 > 9 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 acceptor 3 6 7 23 anion 5 5 24 25 26 27 rings 5 8 9 10 11 13 rings 6 12 14 15 18 19 20 rings > 27 > 0 > 0 > 2 > 0 > 0 > 1 > 1 > 001BD63C00000001 > 79.0024 > 45.732 > 10411042 1 18411981360362337889 10622 236 17680411269857299778 11045515 52 18114742629588967165 12166972 35 18040156223030606524 12342043 65 17416691246220537334 12516196 113 18411134744830242459 12553582 1 18341313540126198263 12592606 108 18342453773594616943 12788726 201 18263077726017166082 13009979 54 18059864973876301577 13533116 47 18266739281038577731 13540713 5 17899136006349157234 13617811 41 18262240044919606644 13631057 29 18337955585029238762 13673619 4 17775566416808374618 13690498 29 18187078443603256453 13955234 65 18052817233270416977 14068700 675 18334297544114150692 14117953 113 18272930510771532943 14767858 380 18260275161441387270 14787075 74 18187085031387178250 14931854 50 18040992925995428003 14955137 171 18201438120758593149 15042514 8 18196367022828514315 15927050 60 17765432441003918790 16087824 20 18338797802694684389 16991971 28 18343027713261436791 17492 89 18122342372661958334 18222031 100 18410851066714358475 18681886 176 18342170116020133011 19319366 153 17967526878921416754 19427546 20 18191307078649558884 20028762 73 18131064978899441879 21049683 271 18262242225955306333 21267235 1 18411704305355556083 21774942 28 13696130878531680151 22950370 63 18410855426116881963 23522609 53 18195558971681805761 23559900 14 18339352089624963603 249057 3 18412260624327521077 249999 5 18055346096575791225 255183 451 18339641248155716213 283562 15 18263928730863166248 3004659 81 18113615694373160931 314194 84 18335146405719041131 335352 9 18410569562595951869 3421961 26 18339635754713443105 44880168 125 17274816909411711022 46194498 28 17385720357012091295 465052 167 18273496775337432574 6058803 2 17827926114295808450 6669772 16 17978515561401146068 6697151 62 18127946738384827949 7970288 3 18411131399320257315 9962374 69 18199461242535560207 > 500.39 16.53 4.46 0.83 10.07 5.31 -0.02 -18.1 4.39 0.48 -0.63 -0.69 0.04 -0.78 > 1101.193 > 269.8 > 2 5 10 $$$$