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 0.8487859999999969 0.3075086300000009 0.0634663900000021 0.8493980699999994 0.3852080099999995 0.4442843599999975 0.0987379500000003 0.3073585500000036 0.1926702700000007 0.0986698700000019 0.3835949500000027 0.3181073800000007 0.8549709500000020 0.5399162100000012 0.4365352800000011 0.1014228100000025 0.5369408999999976 0.3074802499999976 0.8502051199999983 0.4593636999999973 0.0633818299999973 0.8451512800000032 0.2296124599999985 0.4420028700000032 0.0984705500000018 0.4585914299999985 0.1914146100000025 0.0950411500000001 0.2288784400000026 0.3141712099999978 0.3315241999999969 0.6546964300000013 0.5160041099999972 0.8492194800000021 0.3079072100000033 0.5651165800000015 0.8495288200000033 0.3840296099999989 0.9383483800000008 0.0993671399999982 0.3087761399999991 0.6935460699999965 0.0996083499999969 0.3869607900000034 0.8126819800000007 0.8516927100000018 0.5385408300000023 0.9463650300000026 0.1056630499999969 0.5412529700000022 0.8263053599999992 0.8504424400000019 0.4635608899999966 0.5639546299999978 0.8450832600000027 0.2288533299999997 0.9424744800000013 0.0990171899999979 0.4656662399999973 0.6931850900000001 0.0953113099999996 0.2298236099999968 0.8150405800000016 0.3487334300000029 0.3074347299999971 0.0634691400000023 0.3487732099999974 0.3853598199999979 0.4437466500000014 0.5987456200000025 0.3075676699999974 0.1928296800000027 0.5995886400000003 0.3838889700000010 0.3184655000000021 0.3534233900000032 0.5368320899999972 0.4305643200000020 0.6075756799999965 0.5377335299999970 0.3085976099999996 0.3509716800000007 0.4580337399999976 0.0680385900000005 0.3450322200000002 0.2295864700000010 0.4418738600000012 0.6026574799999977 0.4589402300000032 0.1919727100000017 0.5950633799999991 0.2290449400000014 0.3143278599999988 0.3487043900000018 0.3080096600000033 0.5644223299999993 0.3492797299999992 0.3839298799999966 0.9388590100000016 0.5986381000000023 0.3083242700000000 0.6929483300000001 0.5991822000000013 0.3861822900000007 0.8129352699999970 0.3523278099999985 0.5362397099999967 0.9523317399999982 0.5979870299999988 0.5394068599999997 0.8238277399999987 0.3483940899999993 0.4628181499999968 0.5649873699999972 0.3451586099999986 0.2288164400000028 0.9426047899999972 0.5996014400000007 0.4642970499999990 0.6915929600000013 0.5950092799999993 0.2296216100000024 0.8148977999999971 0.6073176700000005 0.6583282200000014 0.7360724300000001 0.3467339400000000 0.5921500700000024 0.5176722900000001 0.1106600700000016 0.5901786900000019 0.2131334299999992 0.3344441400000022 0.1780897399999972 0.5407540100000006 0.0841490800000031 0.1770294299999975 0.2162497500000029 0.3637643599999976 0.5892418099999972 0.0467952600000032 0.1355604499999998 0.6000088099999985 0.7566861099999969 0.3342952100000005 0.1770941899999983 0.0408402699999968 0.0845500000000001 0.1788018600000001 0.7147929799999986 0.8511170600000000 0.5934478200000015 0.5287090799999987 0.6129085800000027 0.5907620400000013 0.2137877300000000 0.8343108299999997 0.1781802799999994 0.5410517099999979 0.5844086800000028 0.1772550999999964 0.2162310599999984 0.8602500599999985 0.5906359000000023 0.0439989899999986 0.5904598799999974 0.5954188199999990 0.7409060399999987 0.8342802399999982 0.1771169499999985 0.0407054699999989 0.5844068700000022 0.1785039199999972 0.7149679500000019 0.0120339500000028 0.5931484299999994 0.1515976199999969 0.9333402700000022 0.1751288199999976 0.6015650000000008 0.1829439799999975 0.1737170899999967 0.1557514100000006 0.2631475499999993 0.5936644599999994 0.1060893900000011 0.0317846399999979 0.6195607800000005 0.7327113600000033 0.9330985499999969 0.1738183100000015 0.1012083600000011 0.1837148199999987 0.1754707799999977 0.6544362799999988 0.9376126100000022 0.6209314500000005 0.5157322100000030 0.5129716599999981 0.5933247700000024 0.1527582000000010 0.4334553799999981 0.1748821199999995 0.6011994300000012 0.6831999999999994 0.1739779099999978 0.1557164000000029 0.7613060400000009 0.5939048199999988 0.1053907200000026 0.4330807899999982 0.1738500499999986 0.1013675499999991 0.6835312799999969 0.1752995100000021 0.6545426300000017 0.4163222600000012 0.7569537999999980 0.6676947500000026 0.4860450899999975 0.6860103200000012 0.6123837199999969 0.8050005300000009 0.6775927999999993 0.7165310500000004 0.3458177799999973 0.6807110800000018 0.3827274599999981 0.5390163300000026 0.6855750300000025 0.8590957299999999 0.1386802399999993 0.6714389999999995 0.5610088199999979 0.4104644499999992 0.7929069999999996 0.6848940300000024 0.6136981100000014 0.7112128400000017 0.5366646299999971 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00