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 0.8483745300000010 0.3071072199999989 0.0630017599999988 0.8488867299999967 0.3851526899999982 0.4448055299999965 0.0983564699999988 0.3070164800000015 0.1929386199999996 0.0986429599999994 0.3831913799999995 0.3178244200000009 0.8557016500000003 0.5412245099999993 0.4366709199999974 0.1037905299999977 0.5376144900000028 0.3077708000000001 0.8498532500000024 0.4587627800000007 0.0647354500000006 0.8450629700000007 0.2293525199999991 0.4421656700000014 0.0998129800000029 0.4585367500000004 0.1932624200000035 0.0949251500000017 0.2285886299999973 0.3139194700000019 0.3316137500000025 0.6572383600000009 0.5296150100000006 0.8488181600000004 0.3076879700000035 0.5645619100000019 0.8491030400000028 0.3836510399999966 0.9391382000000021 0.0988633099999987 0.3081901400000007 0.6938112799999985 0.0995608400000023 0.3864745500000026 0.8123544700000025 0.8496982300000013 0.5376093799999992 0.9485385199999996 0.1011722399999968 0.5421180800000016 0.8232254200000000 0.8501746399999988 0.4640698299999997 0.5625343900000033 0.8450519100000022 0.2285351299999974 0.9427024800000012 0.0991277800000034 0.4654719500000013 0.6934365700000029 0.0951470099999980 0.2293857100000025 0.8148838500000011 0.3484015900000017 0.3070942299999970 0.0630304700000011 0.3488145800000026 0.3853614499999978 0.4447117599999970 0.5983809900000026 0.3070713299999994 0.1928716899999969 0.5990380599999980 0.3832100199999999 0.3178571899999980 0.3546385799999996 0.5399755999999982 0.4337393899999995 0.6060391400000000 0.5384540700000002 0.3086777799999965 0.3503542699999969 0.4583929499999968 0.0662784800000011 0.3450466800000029 0.2291544400000021 0.4420156700000035 0.6008329000000003 0.4589915399999995 0.1943447700000007 0.5950827599999968 0.2287092099999981 0.3139507100000003 0.3486144399999986 0.3076637799999986 0.5642641700000013 0.3495024400000020 0.3837123099999999 0.9395943700000018 0.5986049699999967 0.3079440899999994 0.6935688000000013 0.5990772800000030 0.3859194599999967 0.8121399500000024 0.3483821100000029 0.5366920700000009 0.9512034199999988 0.5967043899999993 0.5395637900000025 0.8241421900000034 0.3491221000000024 0.4641985499999990 0.5628152000000028 0.3451069199999992 0.2284986599999996 0.9427713700000027 0.5996519899999981 0.4643242000000001 0.6923216699999983 0.5950752299999991 0.2292832799999971 0.8147915300000008 0.5966239500000015 0.6589496100000005 0.7431703399999989 0.3562802900000008 0.5931838899999988 0.5217509800000002 0.1114810500000019 0.5896985199999989 0.2116931400000013 0.3340480600000006 0.1778456999999989 0.5411238599999990 0.0837332199999992 0.1768754900000005 0.2159688699999975 0.3627201400000004 0.5886861800000034 0.0467214800000022 0.1298644499999995 0.5990159099999985 0.7536400099999980 0.3338607299999978 0.1769217699999999 0.0410773500000019 0.0840646699999965 0.1785473199999998 0.7144835100000009 0.8535532699999990 0.5938227899999973 0.5264765100000020 0.6141811099999970 0.5900540599999999 0.2115679899999989 0.8338728000000017 0.1781038700000011 0.5414008899999985 0.5840431100000032 0.1770358200000004 0.2159167399999973 0.8615914399999980 0.5895788600000031 0.0447743900000006 0.5950243200000003 0.5944390900000016 0.7433452699999989 0.8339831600000025 0.1769615999999985 0.0409959699999973 0.5839498599999970 0.1783354200000034 0.7147195100000019 0.0118165900000022 0.5933475100000010 0.1512181499999983 0.9331518099999982 0.1747834700000013 0.6015407499999981 0.1827672800000002 0.1733674099999973 0.1558432799999991 0.2625805899999989 0.5936464799999968 0.1060421800000029 0.0315125400000014 0.6223022799999995 0.7340863299999967 0.9329637100000028 0.1734691099999992 0.1011883899999972 0.1835103000000018 0.1750334899999970 0.6545243999999997 0.9420636199999990 0.6218067599999983 0.5204273499999985 0.5132880299999982 0.5938691500000033 0.1521704299999982 0.4332411600000015 0.1744649400000000 0.6012964199999971 0.6830101600000020 0.1735337900000005 0.1557380799999990 0.7619783000000027 0.5941277000000014 0.1050011700000013 0.4328815699999993 0.1734644799999998 0.1012275100000011 0.6833038999999985 0.1749331700000027 0.6546533699999983 0.4414755399999990 0.7264067899999986 0.6495708100000002 0.4522535799999972 0.6834573699999993 0.6428084599999977 0.7971416600000012 0.6750208400000020 0.7205197800000036 0.3620746900000000 0.6796550700000026 0.3934837999999985 0.5603517799999977 0.6801043700000022 0.8796272800000011 0.1244991299999967 0.6682642700000017 0.5491372899999973 0.4510856599999968 0.7835281600000030 0.6438738499999985 0.5780058300000022 0.7665971899999988 0.5144577499999983 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00