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 0.8496964899999995 0.3078778400000033 0.0626447200000015 0.8501868800000025 0.3852220400000022 0.4445107900000025 0.0996309300000036 0.3075974200000005 0.1927576100000010 0.1000387599999968 0.3835848000000013 0.3181796900000009 0.8614290699999998 0.5424345099999996 0.4393366400000005 0.1046608099999986 0.5379616999999968 0.3047491299999976 0.8493827400000029 0.4588623100000007 0.0657713100000024 0.8458978999999971 0.2299036300000026 0.4423122700000022 0.1000596499999986 0.4587070299999993 0.1930875799999967 0.0956840200000002 0.2291399200000015 0.3137005000000030 0.3536785599999988 0.6593357100000006 0.5171558199999993 0.8501010399999984 0.3081294799999981 0.5651867999999993 0.8500965699999981 0.3844399500000009 0.9384083099999998 0.1000962700000017 0.3095731800000010 0.6944889000000032 0.1008184299999968 0.3882872800000001 0.8123154700000015 0.8518984500000002 0.5377559100000013 0.9512355099999965 0.1033919999999995 0.5436190400000029 0.8208616599999985 0.8511924700000009 0.4643031800000017 0.5607903200000024 0.8460455900000028 0.2292211700000024 0.9426012699999973 0.1013939199999996 0.4669583100000025 0.6906747499999994 0.0963075000000018 0.2304466399999967 0.8149099800000030 0.3494996000000015 0.3078639399999972 0.0626940599999983 0.3500300899999971 0.3854822300000009 0.4444061100000027 0.5995356500000000 0.3080470000000020 0.1926686999999987 0.6001960500000010 0.3840031499999981 0.3185106999999974 0.3538920299999972 0.5413325700000016 0.4351125100000033 0.6095153099999990 0.5411624899999978 0.3102001500000000 0.3532634000000030 0.4586947700000010 0.0684197400000031 0.3455846000000022 0.2298597899999990 0.4421431199999972 0.6032533699999973 0.4605067099999971 0.1976313899999980 0.5957851399999967 0.2295583699999995 0.3138828700000005 0.3491954799999988 0.3082496700000021 0.5644151699999966 0.3506041099999990 0.3846233399999974 0.9395227799999972 0.5992356699999988 0.3087081400000002 0.6935386600000015 0.5999050100000005 0.3868574199999983 0.8122475300000005 0.3535653400000029 0.5369741100000027 0.9536665500000012 0.6002856699999981 0.5416104600000011 0.8192922100000004 0.3513551899999996 0.4642978500000012 0.5605812100000023 0.3462318199999999 0.2292079599999965 0.9427681600000000 0.6008723500000031 0.4651356399999997 0.6910573099999979 0.5959918400000035 0.2299445900000023 0.8145959200000021 0.5873464299999966 0.6630597400000013 0.7461490299999980 0.3402869399999986 0.5921428199999994 0.5247484499999970 0.1128274399999967 0.5896000799999968 0.2083370000000002 0.3348837699999976 0.1783322499999969 0.5404871499999970 0.0846231700000004 0.1774142900000015 0.2159327500000003 0.3639842700000031 0.5892147899999998 0.0470873100000020 0.1108579599999970 0.6043626399999980 0.7795454299999989 0.3348597900000030 0.1777056399999992 0.0410947100000030 0.0849604499999970 0.1798837400000011 0.7139383299999977 0.8754965500000012 0.5906710599999982 0.5390230200000019 0.6173845900000003 0.5911867900000018 0.2094581799999986 0.8346681000000018 0.1784274299999993 0.5407883800000022 0.5850088199999988 0.1779176499999977 0.2158426599999999 0.8611785399999974 0.5900677300000012 0.0446475899999967 0.5922961999999998 0.5972177800000011 0.7448192000000020 0.8348774299999988 0.1776951499999981 0.0408866699999990 0.5848832699999988 0.1791064800000015 0.7143796000000009 0.0121375200000031 0.5941897900000015 0.1490192400000012 0.9337971599999975 0.1752327299999976 0.6010353899999998 0.1836175899999972 0.1738411400000004 0.1558173800000020 0.2634317099999990 0.5942282299999988 0.1067725899999985 0.1135905699999995 0.6256261400000014 0.7005170699999965 0.9338974699999980 0.1740083400000003 0.1009539000000004 0.1845177200000023 0.1760031399999988 0.6542307599999972 0.9476738700000027 0.6226695499999977 0.5291919399999969 0.5145887199999990 0.5956731699999978 0.1520022600000033 0.4340213899999981 0.1747818600000031 0.6005562200000014 0.6840058700000000 0.1743282199999996 0.1557145100000028 0.7617317699999973 0.5947632099999964 0.1058659199999994 0.4338731899999999 0.1741611500000033 0.1012153300000023 0.6841900699999997 0.1755062000000009 0.6543638799999982 0.4340566600000031 0.7539919900000029 0.6559402099999971 0.4401350799999975 0.6887668000000033 0.6474935199999976 0.7826527699999986 0.6815168400000005 0.7180050899999983 0.2655351300000035 0.6837256299999979 0.3936110599999978 0.5475445300000032 0.6786789599999992 0.8865703100000033 0.1401146099999977 0.6609606999999968 0.5845450300000010 0.4370946000000018 0.7925096800000020 0.6591134000000025 0.5539251599999986 0.6597835299999986 0.4515170700000013 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