No title 1.00000000000000 7.6631000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 25.3262000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.8372600000000006 Si O H N F 42 16 15 1 6 Direct 0.8481522299999966 0.3069014699999997 0.0632188700000000 0.8484425400000006 0.3851080399999987 0.4447435000000013 0.0980202200000022 0.3068497200000024 0.1930063100000012 0.0982560400000025 0.3830719700000031 0.3178802999999988 0.8546001500000031 0.5410166500000031 0.4355913500000028 0.1036089400000009 0.5373921600000031 0.3083863900000026 0.8494279000000020 0.4583688700000010 0.0649535000000014 0.8446165100000016 0.2290928700000023 0.4420473599999966 0.0994989499999974 0.4583542700000010 0.1930280199999999 0.0945547899999966 0.2283897499999981 0.3141305700000032 0.3374465400000020 0.6569117199999965 0.5248829700000002 0.8484043200000002 0.3075161599999987 0.5644435999999970 0.8491277600000018 0.3833676300000022 0.9390410399999993 0.0984076499999986 0.3078053799999978 0.6934904800000012 0.0992832399999983 0.3858811899999992 0.8122331100000011 0.8494523199999975 0.5371917100000019 0.9485476199999994 0.0994195800000028 0.5411546400000020 0.8231666900000008 0.8500026999999974 0.4640088900000023 0.5626623899999998 0.8446796899999995 0.2283288400000032 0.9426671200000030 0.0988511199999991 0.4647840800000012 0.6932242500000001 0.0947132900000014 0.2291425900000021 0.8149869399999972 0.3480195300000020 0.3068831799999998 0.0632571000000013 0.3486132399999988 0.3850206700000030 0.4444578800000016 0.5980779900000002 0.3068437599999996 0.1928602999999995 0.5987971599999966 0.3829964800000027 0.3177801499999973 0.3550837700000002 0.5391132999999968 0.4328201499999977 0.6056158800000020 0.5377201200000030 0.3082107700000023 0.3497687500000026 0.4581769600000030 0.0659760899999995 0.3446715199999986 0.2289470600000030 0.4419534900000031 0.6002243000000007 0.4585002600000010 0.1935020199999968 0.5946547300000020 0.2284242300000017 0.3140292000000002 0.3482660900000027 0.3073861000000022 0.5643582100000017 0.3490329500000016 0.3834124899999978 0.9394290600000019 0.5983192500000030 0.3076922699999969 0.6933542200000034 0.5989983500000022 0.3856337300000021 0.8123202599999999 0.3477437499999994 0.5366631799999979 0.9503777899999974 0.5967247499999999 0.5390714700000032 0.8245426000000009 0.3492184099999989 0.4637152000000029 0.5633574699999997 0.3446227499999992 0.2283039900000006 0.9427625399999968 0.5997836199999966 0.4640361299999967 0.6923961700000021 0.5946363999999988 0.2290927199999970 0.8149957099999980 0.6017101199999999 0.6582179099999976 0.7424826199999970 0.3604441900000026 0.5930521599999992 0.5192144900000031 0.1115403900000018 0.5896416399999964 0.2123088499999994 0.3337486200000015 0.1777187499999968 0.5413493799999998 0.0835074900000023 0.1767152600000017 0.2159960099999978 0.3618342700000028 0.5886763099999968 0.0463339800000000 0.1217315099999965 0.5977304199999978 0.7472168999999980 0.3335810399999986 0.1767023600000002 0.0410722700000008 0.0837663000000006 0.1782207899999975 0.7147502899999978 0.8479433099999980 0.5949885699999982 0.5218148200000030 0.6138382700000022 0.5894377799999972 0.2109758699999986 0.8336311199999997 0.1779376599999978 0.5416163000000012 0.5837197099999969 0.1767385799999985 0.2159271599999997 0.8618307500000029 0.5893865199999979 0.0444645800000032 0.5931027600000007 0.5940625699999984 0.7428863000000021 0.8337487200000027 0.1767522999999969 0.0410408899999979 0.5836534199999974 0.1781331600000016 0.7148778700000022 0.0118716400000025 0.5931969900000027 0.1519036799999967 0.9329019500000015 0.1746750699999993 0.6017796499999974 0.1825098500000024 0.1732610800000032 0.1558468500000032 0.2619595900000036 0.5933199999999985 0.1059739199999967 0.0237396200000006 0.6223506600000022 0.7369788800000023 0.9326597900000024 0.1733460800000017 0.1013052099999996 0.1831291499999992 0.1748186700000005 0.6547147699999982 0.9422491500000021 0.6210900900000027 0.5200189399999999 0.5129351699999987 0.5933035700000033 0.1516164800000013 0.4329160400000021 0.1744369999999975 0.6015677299999993 0.6826550099999977 0.1733027100000015 0.1557097700000014 0.7621075300000015 0.5935813700000026 0.1048345499999996 0.4325642499999987 0.1732740400000026 0.1012549699999994 0.6829947399999980 0.1748058200000031 0.6547926100000012 0.4556906099999978 0.7236663199999995 0.6399040900000017 0.4612597300000019 0.6828480100000007 0.6375132900000011 0.8031393099999988 0.6737611900000005 0.7215995399999997 0.3763835099999966 0.6799821999999978 0.3908782199999976 0.5600675299999978 0.6809402700000007 0.8766775699999982 0.1316385299999965 0.6694747000000021 0.5444418299999967 0.4358916799999975 0.7922804700000015 0.6579762499999973 0.5716065399999977 0.7803333600000002 0.5435604299999994 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00