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 0.8481068700000023 0.3068927899999991 0.0632308899999998 0.8483970500000027 0.3850952100000029 0.4446652499999999 0.0979907500000010 0.3068440199999998 0.1930018999999987 0.0982216000000022 0.3830339499999980 0.3179417599999965 0.8546334199999990 0.5410148500000034 0.4355196100000001 0.1036978200000007 0.5373482899999971 0.3084283099999965 0.8490734299999971 0.4582310600000028 0.0651722500000034 0.8445799599999972 0.2290825899999973 0.4420280599999984 0.0994161300000016 0.4582889300000019 0.1929275500000003 0.0945152600000014 0.2283886100000032 0.3141563399999967 0.3375571899999983 0.6570777700000008 0.5243643499999990 0.8483521900000000 0.3075037199999997 0.5644458299999968 0.8491466099999982 0.3833400199999986 0.9389897900000008 0.0983201600000001 0.3077730799999969 0.6934688699999967 0.0992397600000032 0.3857950100000025 0.8122784600000017 0.8489012200000019 0.5370832899999982 0.9486159799999996 0.0989736100000016 0.5413148199999966 0.8229680299999984 0.8499449799999965 0.4639806200000010 0.5624943799999969 0.8446392800000027 0.2283225500000015 0.9426555000000008 0.0988429399999973 0.4646494699999977 0.6931047899999996 0.0946522500000029 0.2291423799999990 0.8150006600000026 0.3479888900000034 0.3068697699999987 0.0632733400000021 0.3486856500000002 0.3849045199999992 0.4442711000000017 0.5980549300000035 0.3068479000000011 0.1928596500000026 0.5988366799999980 0.3829768900000019 0.3178149499999989 0.3551041699999971 0.5396112900000034 0.4335819599999979 0.6054126800000006 0.5377436300000014 0.3083224499999986 0.3498357100000007 0.4581326699999977 0.0660333499999979 0.3446356199999983 0.2289256600000016 0.4419305799999975 0.6000858100000031 0.4584439500000030 0.1935820400000026 0.5946115300000017 0.2284123100000031 0.3140325199999978 0.3481810099999976 0.3073258699999997 0.5644179100000031 0.3490105400000019 0.3833923400000003 0.9393789000000012 0.5982611599999998 0.3076599600000023 0.6933032199999971 0.5990307599999980 0.3855967900000010 0.8123955200000026 0.3479226800000035 0.5366807400000013 0.9500933799999984 0.5967597100000006 0.5393776399999979 0.8240661399999993 0.3493746199999990 0.4636592499999992 0.5632461200000023 0.3445540900000026 0.2282990799999993 0.9427522200000027 0.5998866899999982 0.4641009899999986 0.6925591299999994 0.5945747800000021 0.2290815300000020 0.8150400700000020 0.6021903099999975 0.6585123199999998 0.7422959499999990 0.3614772399999993 0.5933882400000030 0.5188009499999993 0.1116397500000019 0.5896075100000004 0.2122664299999997 0.3336673700000006 0.1777111800000029 0.5413622200000034 0.0834341899999984 0.1767171999999988 0.2159979400000012 0.3618141099999974 0.5886738000000022 0.0462965800000035 0.1222800000000035 0.5971787000000006 0.7474148299999968 0.3334960099999975 0.1766955699999997 0.0410819100000026 0.0836866000000001 0.1782200099999969 0.7147639200000029 0.8476240399999995 0.5950812100000036 0.5216098499999973 0.6139261599999983 0.5893557099999995 0.2108205299999995 0.8335661999999999 0.1779372499999994 0.5416329199999979 0.5836557399999975 0.1767247900000015 0.2159095299999976 0.8620969099999982 0.5893196700000018 0.0444568599999968 0.5925048599999982 0.5942853900000031 0.7425470499999989 0.8336806900000013 0.1767461999999966 0.0410542999999990 0.5835735100000008 0.1781316900000007 0.7148844900000029 0.0118334399999966 0.5932479700000002 0.1518261100000018 0.9328780900000027 0.1746632500000018 0.6018097799999964 0.1824908600000015 0.1732452500000008 0.1558455500000022 0.2617597799999984 0.5933167399999988 0.1060415000000035 0.0233177499999968 0.6228634100000008 0.7362408400000007 0.9326337400000000 0.1733296800000019 0.1013361999999987 0.1830960599999969 0.1748064800000009 0.6547212600000023 0.9425474800000018 0.6210792600000019 0.5203930099999994 0.5129095200000009 0.5933115699999973 0.1513865300000035 0.4328721999999985 0.1744209900000016 0.6016014900000002 0.6826365100000018 0.1732729699999993 0.1556771400000017 0.7621426700000029 0.5935157799999971 0.1047999700000020 0.4325415100000001 0.1732494900000034 0.1012649400000001 0.6829644900000034 0.1747967000000017 0.6547875999999988 0.4562266499999978 0.7238974600000034 0.6397295599999993 0.4623295100000036 0.6828599099999977 0.6365776800000020 0.8045806800000008 0.6736955200000025 0.7215319199999968 0.3772145699999996 0.6797714599999978 0.3901019300000002 0.5594213600000018 0.6810214599999966 0.8766843200000025 0.1322393100000028 0.6696067199999973 0.5452634899999964 0.4341394400000027 0.7923556800000000 0.6593739099999993 0.5709431699999996 0.7795743300000026 0.5456472400000010 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00