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 0.8486387600000000 0.3073810400000028 0.0638480100000010 0.8494675999999970 0.3851340399999970 0.4437490299999993 0.0986126399999989 0.3072640999999976 0.1921442800000008 0.0987461300000021 0.3834395100000023 0.3184262300000000 0.8549840800000013 0.5403956299999990 0.4364320099999972 0.1029691299999982 0.5374613199999985 0.3079467199999968 0.8499633400000022 0.4589692699999972 0.0650199700000016 0.8451369699999987 0.2295196500000003 0.4419181100000031 0.0996426099999965 0.4585957199999982 0.1915014100000008 0.0949819200000022 0.2287543099999994 0.3141559500000000 0.3278102499999989 0.6550226499999994 0.5168619499999991 0.8490538300000026 0.3078700599999991 0.5654864099999983 0.8492082400000029 0.3838059099999995 0.9381330399999968 0.0990329400000007 0.3085246899999987 0.6930253299999976 0.0996808200000032 0.3868944099999965 0.8136160500000003 0.8492417799999998 0.5382300899999990 0.9466195400000004 0.1042435800000021 0.5418148500000015 0.8248099099999990 0.8505186499999979 0.4637905000000018 0.5642364699999973 0.8450433900000007 0.2287330300000008 0.9424580499999990 0.0988430600000001 0.4660391999999973 0.6924021299999978 0.0952147900000000 0.2295937800000019 0.8152519200000015 0.3487747300000024 0.3074205799999987 0.0638848600000017 0.3486518899999993 0.3854911700000017 0.4433740300000011 0.5986687199999992 0.3073752299999981 0.1921790600000008 0.5994977599999984 0.3834997800000011 0.3189127999999997 0.3545864000000023 0.5367998700000030 0.4296348299999977 0.6070618999999979 0.5381416099999967 0.3085943199999974 0.3506516400000024 0.4583614200000028 0.0677803999999966 0.3450495700000005 0.2293894800000018 0.4417121700000024 0.6010433200000023 0.4590159099999980 0.1927266699999990 0.5951091299999973 0.2289786400000011 0.3142928700000027 0.3486814800000033 0.3079278700000003 0.5650703299999975 0.3496863599999998 0.3839889400000018 0.9387751699999995 0.5987478500000023 0.3082207900000000 0.6925916100000009 0.5991765400000020 0.3861388700000035 0.8134863499999980 0.3484834200000009 0.5364549000000025 0.9513589399999987 0.5951538799999980 0.5394540599999971 0.8246864199999990 0.3488638500000008 0.4638556499999993 0.5651872899999972 0.3451984499999980 0.2287114800000012 0.9425671199999996 0.5999167900000018 0.4645293299999977 0.6904491800000017 0.5950452200000029 0.2294607299999996 0.8150482100000005 0.6084703699999991 0.6589379600000029 0.7338609600000012 0.3542064499999995 0.5921230000000008 0.5210600999999997 0.1111307600000018 0.5903063599999996 0.2126892900000001 0.3342878799999980 0.1778848200000027 0.5408117400000023 0.0839747400000022 0.1768759699999976 0.2161610300000021 0.3633453300000014 0.5891285699999997 0.0460673899999975 0.1412289599999994 0.6018211299999976 0.7570749799999987 0.3341047600000024 0.1769656600000005 0.0408981100000005 0.0843344500000001 0.1786468900000031 0.7146336099999999 0.8515704300000024 0.5938400200000018 0.5289023400000019 0.6130528999999996 0.5910208100000034 0.2133445799999976 0.8341052299999987 0.1780842399999969 0.5411491899999987 0.5842783200000028 0.1771585999999985 0.2161452499999967 0.8608163600000012 0.5903511300000019 0.0442413500000001 0.5889206900000019 0.5959019200000029 0.7405691900000022 0.8341894499999967 0.1769999300000009 0.0407905499999970 0.5841827400000028 0.1783776999999986 0.7148413399999995 0.0122894300000027 0.5929807999999994 0.1512146299999984 0.9332617099999965 0.1750912400000004 0.6015485799999993 0.1828726199999977 0.1736706599999991 0.1557728699999998 0.2635340699999986 0.5934058699999980 0.1054748399999994 0.0342006500000025 0.6190613899999988 0.7321390099999974 0.9330500000000015 0.1737768099999997 0.1012056699999988 0.1836487699999978 0.1754110999999980 0.6544117600000021 0.9397192599999968 0.6205014599999998 0.5174358499999983 0.5132395199999991 0.5931902600000001 0.1524576400000015 0.4333807499999978 0.1747794999999996 0.6012055699999976 0.6831151499999990 0.1739208600000026 0.1557280999999975 0.7618100199999986 0.5938048399999971 0.1052189700000028 0.4329761300000001 0.1738045199999974 0.1013036299999968 0.6834338800000026 0.1752577299999984 0.6545399999999972 0.4217649400000028 0.7550489699999972 0.6631607099999997 0.4844671000000034 0.6859084600000003 0.6120648899999992 0.8078407200000015 0.6789299000000000 0.7170582299999992 0.3429020100000031 0.6798608100000010 0.3811911399999985 0.5433021199999999 0.6840253299999972 0.8613540400000019 0.1319264099999984 0.6717228600000027 0.5621233199999978 0.4123457199999976 0.7927824799999996 0.6845258299999983 0.6056784100000030 0.7126236399999968 0.5395199100000028 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00