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 0.8486880100000036 0.3073735299999996 0.0628794100000007 0.8491992499999981 0.3852181199999976 0.4444462900000019 0.0985630200000003 0.3072173199999995 0.1927373500000016 0.0988973899999976 0.3832830300000012 0.3178254999999979 0.8572334099999992 0.5416483600000035 0.4366915199999966 0.1030962199999976 0.5373777200000021 0.3066387699999993 0.8478822200000025 0.4586088599999982 0.0659970500000000 0.8450427800000000 0.2294870099999997 0.4420976500000009 0.0991637799999978 0.4584004100000030 0.1924354000000008 0.0949330199999991 0.2287670999999989 0.3139612000000014 0.3420727900000031 0.6559671699999967 0.5229761000000011 0.8489815599999986 0.3078572399999970 0.5646868400000002 0.8492725699999966 0.3839521299999973 0.9389472100000020 0.0987810199999970 0.3085889999999978 0.6940098600000013 0.0998572199999970 0.3869189199999994 0.8126357499999983 0.8514307800000012 0.5370940500000003 0.9496596500000010 0.1005800100000016 0.5404414500000030 0.8232529100000008 0.8506897899999970 0.4641644299999967 0.5615066800000008 0.8450455999999988 0.2287280600000017 0.9426269499999975 0.1000720799999968 0.4653238400000035 0.6915526100000022 0.0951397199999988 0.2297328900000011 0.8150025699999972 0.3486231799999970 0.3073714399999972 0.0629834100000011 0.3494511999999972 0.3847121100000024 0.4438390700000028 0.5987264199999984 0.3074624999999997 0.1926460000000034 0.5996414700000017 0.3835952100000029 0.3177686800000004 0.3522359199999983 0.5388632100000024 0.4335639399999991 0.6058879500000032 0.5400485400000008 0.3109153999999990 0.3516715499999989 0.4584213799999972 0.0674164899999994 0.3449199200000024 0.2292243300000010 0.4419963899999999 0.6008578200000017 0.4599866599999984 0.1967558400000016 0.5950134699999978 0.2289784399999988 0.3139674700000015 0.3484269400000031 0.3075369100000032 0.5646045900000018 0.3500695899999968 0.3840143199999986 0.9393524099999979 0.5986557599999998 0.3081112400000023 0.6933507700000021 0.5996245299999998 0.3860838599999994 0.8122308000000018 0.3508745299999987 0.5368058999999974 0.9515140299999985 0.5990193100000027 0.5401130500000022 0.8219943900000004 0.3503578099999984 0.4631293500000027 0.5621043100000023 0.3450738200000032 0.2287330799999978 0.9427463600000010 0.6005950300000009 0.4643586500000012 0.6914020299999990 0.5950057100000024 0.2294856500000009 0.8149048599999986 0.6015045500000014 0.6601601400000021 0.7425939499999998 0.3414121899999998 0.5917488199999994 0.5251567700000024 0.1124746099999996 0.5896348099999997 0.2105610799999980 0.3340534599999998 0.1778824800000010 0.5409045700000021 0.0838559700000019 0.1770925900000009 0.2160087199999978 0.3621939699999999 0.5892007599999971 0.0464940199999972 0.1176574599999967 0.5973065900000023 0.7664959499999995 0.3340028900000007 0.1772016800000031 0.0410707699999975 0.0842101599999978 0.1790154400000006 0.7144081200000016 0.8581100800000030 0.5936024200000034 0.5293989999999980 0.6160223299999998 0.5900780999999995 0.2089584599999981 0.8339247099999980 0.1782460499999985 0.5412755199999992 0.5841920299999970 0.1773331099999993 0.2158914800000034 0.8620090699999992 0.5897546799999986 0.0440958699999996 0.5930228100000008 0.5960116799999966 0.7422832900000031 0.8341238699999991 0.1772067400000026 0.0409779399999977 0.5840003699999983 0.1786484799999997 0.7146545000000017 0.0124226599999986 0.5937734099999972 0.1505208199999970 0.9331419000000025 0.1749530399999983 0.6014766400000013 0.1828346699999983 0.1735501300000024 0.1558462599999970 0.2622819500000020 0.5936878899999982 0.1066109400000030 0.0560997500000013 0.6283554700000025 0.7166676100000018 0.9330317800000003 0.1736931599999991 0.1012372499999969 0.1836161700000005 0.1753825899999981 0.6544634799999969 0.9472610799999970 0.6213119100000029 0.5278268200000014 0.5138851299999985 0.5943292700000029 0.1506080999999995 0.4331055700000022 0.1745529100000027 0.6011924700000009 0.6831295900000001 0.1737808099999967 0.1556765400000018 0.7627746100000010 0.5937012999999993 0.1051496799999967 0.4330286699999988 0.1736969299999984 0.1012169299999996 0.6833178700000033 0.1752145100000035 0.6545592499999984 0.4474356999999998 0.7423307999999977 0.6453288900000018 0.4631250199999997 0.6865508300000016 0.6336469199999968 0.7985617000000005 0.6765568900000005 0.7212967899999967 0.3346450200000035 0.6813912300000027 0.3876723600000034 0.5503766200000015 0.6806209200000026 0.8760667999999967 0.1431224499999999 0.6665844699999965 0.5627759200000000 0.4306498199999993 0.7893596400000007 0.6643784899999972 0.5620702000000009 0.7277451499999970 0.5101778100000018 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00