2833775 -OEChem-03282422333D 35 37 0 0 0 0 0 0 0999 V2000 -0.5127 1.9314 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 -2.7177 0.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -0.3133 0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 -2.8365 0.2148 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 -0.9014 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 0.3256 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8432 0.1633 -1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 1.4100 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 0.8571 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 -0.4359 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 -1.6087 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 0.8603 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 0.8319 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -0.3802 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -1.6512 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 2.0350 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -0.3939 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6622 2.0186 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 0.8056 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -1.7218 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 -1.3215 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 0.7643 2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 -0.4346 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 -0.2930 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.9123 -1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 2.2342 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1978 1.8286 1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2153 1.6690 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2855 0.1429 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 2.9944 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 -1.3271 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 -2.9076 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -3.6746 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 2.9523 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 0.7932 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 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 > 2833775 > 0.6 > 1 2 3 4 > 22 1 -0.57 10 0.11 11 0.11 12 0.47 13 0.09 14 0.09 15 0.47 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 3 -0.84 30 0.15 31 0.15 32 0.4 33 0.4 34 0.15 35 0.15 4 -0.9 5 0.37 6 0.37 > 2.2 > 8 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 4 donor 6 10 11 12 13 14 15 rings 6 13 14 16 17 18 19 rings 6 3 5 6 7 8 9 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 002B3D6F00000001 > 56.525 > 40.618 > 10411042 1 17689154513322896882 10967382 1 18410295787593580952 10980938 120 18410855434374188794 11132069 177 18341609334845412696 11471102 20 18409728443867542852 11543360 7 16056881381185889168 11796584 16 14907910335894953852 12236239 1 17917712379690661265 12644460 14 18187082806736336122 13140716 1 18336827619153495234 13380535 76 18411136969849966554 13583140 156 16878215476049351008 14251717 144 18411697660275809975 14790565 3 18336845151158230660 15099037 51 18410014338681949934 15196674 1 18410575123687049702 15309172 13 18335424581801847161 15375358 24 18113900455031345761 15442244 35 18124880044949550745 15536298 74 18272653407206190174 16945 1 18409452479460512442 18186145 218 18410295813083849076 18219364 16 18263091048899787617 19862831 5 17846498140740473669 200 152 18131627893901520477 20510252 161 17765157558933804930 20645477 70 18335980882956204566 21267235 1 18341059553077156455 21524375 3 18413107294375620390 21639500 275 18410282606254514653 22182313 1 18196394699735491622 2255824 54 18339360738745501435 231179 274 17821720633038738116 2334 1 17977670037043041258 23402539 116 18272649060921105668 23402655 69 18343864424308719100 23493267 7 17603583066669781376 23559900 14 18271249434791647948 25 1 18408037424785017878 2748010 2 18122072167589066502 335352 9 18410013209089967374 350125 39 17903648714847554313 4072396 5 18262217959832721352 474 4 18409730664207379369 5104073 3 18336826489418906304 543358 83 18268713818151935649 633830 44 18343030977272719908 7364860 26 18341054000043132358 77492 1 17917990538783762411 8272917 22 18340489946151032959 84936 182 18201714067764611512 9709674 26 18271534198985157982 > 369.31 7.97 2.48 0.89 2.09 1.1 -0.02 -3.45 -0.99 -1.3 0.14 0.89 -0.08 -0.45 > 806.898 > 198.7 > 2 5 10 $$$$