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 0.8490905499999997 0.3076580299999989 0.0627039000000025 0.8496459300000012 0.3852333900000033 0.4445003200000031 0.0990078800000020 0.3073876899999988 0.1926485899999975 0.0989925399999976 0.3834765300000029 0.3175425800000014 0.8579982799999968 0.5419407699999965 0.4376961800000032 0.1034240600000018 0.5376713100000003 0.3064886200000032 0.8477157800000015 0.4589112099999966 0.0661627599999974 0.8454573599999975 0.2297418400000026 0.4421648000000005 0.0993869099999998 0.4586126100000030 0.1923199800000006 0.0952558899999971 0.2289957799999982 0.3138003500000011 0.3388966999999994 0.6601336700000004 0.5203745299999980 0.8495810900000009 0.3079881399999991 0.5648624299999980 0.8493978699999971 0.3843593300000023 0.9392325900000031 0.0992929299999972 0.3089888299999970 0.6943564700000024 0.1000712000000021 0.3873647400000024 0.8129265399999994 0.8507458699999972 0.5371353999999968 0.9497779900000012 0.1009584899999965 0.5422993600000012 0.8232614799999993 0.8508961200000016 0.4642400199999983 0.5607669799999968 0.8454823900000008 0.2289967000000033 0.9426083700000021 0.1002111800000023 0.4657528600000020 0.6913183300000014 0.0956052499999984 0.2300838199999973 0.8148988700000004 0.3491132199999996 0.3076466799999977 0.0628028799999996 0.3496995200000015 0.3849512399999995 0.4435901700000002 0.5991697199999990 0.3078273100000004 0.1926387099999971 0.6002492699999991 0.3837960299999992 0.3180207600000031 0.3537561099999991 0.5416094899999990 0.4346224599999999 0.6066641399999995 0.5400890399999980 0.3105858699999970 0.3527515899999969 0.4588731899999985 0.0679324099999974 0.3452381299999985 0.2294749699999983 0.4419981500000034 0.6017175899999998 0.4601660300000034 0.1972325899999987 0.5954021299999965 0.2293751699999973 0.3139165500000018 0.3488049400000008 0.3077494400000020 0.5646868099999978 0.3505035100000029 0.3844863500000031 0.9398276499999980 0.5991361399999988 0.3083965300000031 0.6935404000000034 0.5999121899999977 0.3864712299999979 0.8121094299999996 0.3509173699999977 0.5368827599999975 0.9517219100000034 0.5994770599999981 0.5398481399999966 0.8232808300000016 0.3508194200000005 0.4639490899999998 0.5617011599999984 0.3455743700000014 0.2289923200000032 0.9427359999999965 0.6011699600000000 0.4647045299999988 0.6916696400000006 0.5954684100000023 0.2297198400000013 0.8147196399999999 0.5999187700000022 0.6602825900000013 0.7443068800000034 0.3574715499999996 0.5964511900000034 0.5160816799999992 0.1123403599999975 0.5896067700000032 0.2099875800000035 0.3344759900000014 0.1780129200000005 0.5406282200000021 0.0841558199999994 0.1772505599999974 0.2159682899999993 0.3636960799999969 0.5891628600000018 0.0464850299999995 0.1226559199999997 0.6025656999999995 0.7765857199999999 0.3343499400000027 0.1774270299999969 0.0410588700000005 0.0845282900000015 0.1794024800000003 0.7141166600000020 0.8625748899999977 0.5924534299999991 0.5342139899999978 0.6145363199999991 0.5910793700000028 0.2116563100000022 0.8342456099999964 0.1783704599999965 0.5410192399999971 0.5845742500000028 0.1776870599999967 0.2159101499999991 0.8617739000000029 0.5898103099999972 0.0437858800000015 0.5959928400000010 0.5958459800000000 0.7439108399999981 0.8344445899999968 0.1774366400000034 0.0409297300000020 0.5843498699999969 0.1788517199999973 0.7144876300000007 0.0126952700000018 0.5938081600000018 0.1499209300000004 0.9334095600000012 0.1751589499999966 0.6012300100000019 0.1831465699999981 0.1737642599999987 0.1558415800000006 0.2632676699999976 0.5937649099999973 0.1059748999999996 0.0758274900000018 0.6248122699999996 0.7101545700000003 0.9333966200000035 0.1739125699999988 0.1011023800000004 0.1840148300000024 0.1757282399999980 0.6543105499999982 0.9478753100000006 0.6213911299999992 0.5269759899999968 0.5144780899999972 0.5945386900000003 0.1513604800000010 0.4335006800000016 0.1746812000000020 0.6008771500000023 0.6835069899999979 0.1741353399999994 0.1557434899999990 0.7633409700000016 0.5940209400000001 0.1046415100000004 0.4333581899999999 0.1740014399999978 0.1012005600000023 0.6836658699999987 0.1754410500000034 0.6544408999999973 0.4395251899999977 0.7509563799999981 0.6518730399999981 0.4503613600000023 0.6860139400000023 0.6437622300000001 0.7947271999999970 0.6789446299999966 0.7202055799999982 0.2918240799999978 0.6776573499999969 0.3818225699999971 0.5469341100000022 0.6803872799999979 0.8781616999999997 0.1332360099999974 0.6669667399999994 0.5747808200000009 0.4347233900000020 0.7883410299999980 0.6612613899999999 0.5704832400000015 0.6923293099999981 0.4877295799999999 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00