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 0.8480049799999989 0.3068341800000027 0.0632891999999998 0.8483617999999993 0.3850692299999992 0.4445912400000012 0.0978314800000035 0.3068178300000000 0.1931299100000032 0.0982494300000027 0.3829874700000033 0.3180471299999965 0.8544959600000013 0.5410417300000034 0.4354932099999971 0.1033049799999972 0.5371759200000028 0.3080010099999981 0.8488592799999992 0.4580364600000024 0.0654006500000008 0.8443306599999971 0.2289871199999993 0.4420198199999987 0.0990403099999995 0.4581814499999979 0.1929216600000032 0.0943402999999989 0.2283443500000004 0.3141983399999972 0.3509148999999994 0.6567763199999987 0.5186625899999981 0.8479292399999991 0.3074410500000013 0.5642841000000018 0.8491529699999987 0.3832357400000035 0.9389307000000002 0.0979297700000004 0.3076676299999974 0.6933398099999977 0.0991216700000024 0.3856896799999987 0.8121911900000001 0.8502529399999972 0.5367164900000034 0.9495345099999994 0.0989287100000027 0.5408538699999994 0.8217374500000005 0.8499476100000010 0.4639544500000028 0.5625898199999995 0.8443269899999990 0.2282472999999996 0.9427744500000017 0.0990918800000031 0.4642929299999992 0.6925934100000006 0.0943314800000010 0.2290643099999983 0.8150512400000025 0.3477857800000024 0.3067959600000023 0.0633227699999992 0.3486838199999980 0.3847454499999969 0.4442133800000008 0.5979451199999986 0.3067593299999984 0.1929077400000025 0.5987616900000035 0.3829563399999998 0.3177418599999982 0.3546038300000021 0.5390616099999974 0.4337283600000035 0.6053743399999973 0.5378146199999989 0.3081239099999991 0.3493552999999991 0.4579261599999995 0.0660388399999974 0.3444561399999984 0.2288531199999966 0.4419833099999977 0.5998134700000008 0.4584155399999972 0.1934966999999972 0.5944185999999974 0.2282633800000013 0.3139562799999993 0.3479350100000005 0.3072570300000024 0.5643124099999994 0.3488021699999990 0.3832222799999982 0.9391399000000007 0.5979326100000009 0.3075521499999994 0.6932996600000010 0.5990057699999980 0.3853936699999991 0.8125233399999985 0.3483833900000022 0.5365735800000024 0.9506453300000004 0.5975989900000016 0.5392575999999991 0.8234629499999997 0.3494538300000016 0.4631989599999997 0.5632414700000012 0.3442324800000023 0.2282260400000027 0.9428444899999988 0.5998412100000010 0.4637297100000026 0.6922956499999984 0.5942506800000018 0.2290083500000009 0.8151085300000034 0.6024661399999971 0.6587862700000002 0.7407473000000024 0.3551569199999989 0.5922540800000036 0.5202705199999968 0.1118224800000007 0.5895183299999971 0.2122491399999973 0.3334331000000006 0.1776731699999985 0.5414514499999967 0.0833184800000026 0.1766904500000024 0.2160561999999970 0.3608477000000008 0.5887169700000001 0.0460324399999976 0.1066604999999967 0.5972106899999972 0.7481727099999986 0.3333082400000009 0.1766151500000035 0.0411041099999991 0.0835245399999991 0.1781414299999966 0.7148537300000015 0.8466609000000034 0.5951062099999973 0.5195516200000014 0.6145442799999969 0.5888911999999991 0.2095269400000035 0.8334299899999991 0.1778922299999977 0.5417192199999974 0.5835524700000008 0.1765895400000019 0.2158694299999979 0.8620101400000024 0.5892178599999980 0.0442084399999985 0.5920139500000019 0.5944104300000035 0.7428676199999984 0.8335482600000006 0.1766471400000000 0.0410757599999982 0.5834133399999999 0.1780817599999978 0.7149490899999975 0.0119473999999968 0.5932652500000017 0.1521110400000012 0.9326950000000025 0.1746257799999995 0.6019204500000015 0.1822874200000015 0.1731823900000009 0.1558724900000001 0.2613869099999988 0.5932925700000027 0.1063418299999981 0.0320730099999977 0.6220596900000004 0.7345001899999986 0.9323934100000031 0.1732727699999970 0.1014372599999973 0.1828718200000026 0.1747311000000025 0.6547841499999976 0.9410922599999978 0.6208923800000008 0.5213629699999984 0.5128642700000015 0.5931800999999979 0.1510634799999977 0.4325697399999981 0.1743970300000015 0.6017178399999992 0.6824260599999974 0.1731494699999985 0.1555632000000031 0.7621784000000034 0.5932036299999979 0.1049108200000006 0.4323435000000018 0.1731551499999995 0.1012639500000034 0.6827276100000006 0.1747604500000008 0.6548088400000012 0.4563678700000011 0.7310115200000027 0.6415189900000016 0.4688576200000014 0.6850145900000015 0.6332404199999999 0.8054484700000017 0.6731702599999991 0.7212275300000002 0.3753476799999973 0.6805610099999981 0.3888918399999994 0.5592485100000033 0.6809000699999999 0.8751639099999977 0.1455570800000032 0.6694846500000011 0.5436597400000025 0.4247515899999996 0.7929532400000028 0.6663772400000028 0.5715140300000030 0.7793019100000009 0.5546391099999965 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00