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 0.8483597099999969 0.3071310799999978 0.0629772300000013 0.8487197399999999 0.3851383499999983 0.4445490700000008 0.0983045600000025 0.3070168400000028 0.1929319199999995 0.0984809099999993 0.3831372300000027 0.3179148999999981 0.8559572599999967 0.5414299899999975 0.4365112300000007 0.1036397800000017 0.5373794200000006 0.3075068500000029 0.8485038600000010 0.4582861900000026 0.0656946200000021 0.8449064300000018 0.2293193900000006 0.4421165899999977 0.0993568700000012 0.4582971700000016 0.1927578199999971 0.0947791199999983 0.2285825499999987 0.3139873200000025 0.3310312400000015 0.6576066100000020 0.5283780800000031 0.8487605099999982 0.3076789300000016 0.5645478799999992 0.8490959900000021 0.3836563999999996 0.9389549200000005 0.0986466399999983 0.3081105999999991 0.6938356599999977 0.0994456800000023 0.3861746099999976 0.8125763899999967 0.8483869599999991 0.5370696600000002 0.9493578100000022 0.0988029100000034 0.5418560900000031 0.8230264500000004 0.8500767399999987 0.4640159400000030 0.5617828700000018 0.8449685499999973 0.2285231199999984 0.9426284600000017 0.0990823899999995 0.4648238199999994 0.6926456400000021 0.0949933999999999 0.2294254299999992 0.8148931400000023 0.3483400900000007 0.3071081800000002 0.0630316000000022 0.3490589099999966 0.3848448500000003 0.4440193499999978 0.5983835799999966 0.3071542799999989 0.1928709800000021 0.5992485299999970 0.3832088600000034 0.3179128199999965 0.3543446199999991 0.5408915699999994 0.4352409399999999 0.6058246699999970 0.5385154000000014 0.3089899400000036 0.3507881000000026 0.4582725400000029 0.0667055999999988 0.3448779599999980 0.2290736100000004 0.4419725500000027 0.6005419299999986 0.4589400400000017 0.1949109299999989 0.5949329199999980 0.2287089100000017 0.3139658300000008 0.3483864600000004 0.3074261300000032 0.5644694599999980 0.3495719699999995 0.3837372500000029 0.9394441600000007 0.5985507600000020 0.3078754699999990 0.6934398900000005 0.5992803700000024 0.3858524600000024 0.8122783000000027 0.3489970099999979 0.5367238700000030 0.9506606400000024 0.5972846399999980 0.5403943999999967 0.8224555299999992 0.3497729300000003 0.4636287200000027 0.5625985000000000 0.3448925000000003 0.2285075699999979 0.9427469199999976 0.6001688799999982 0.4643534900000006 0.6924385399999977 0.5948692500000021 0.2292649800000035 0.8149083300000015 0.5991945999999970 0.6596013799999980 0.7428584399999991 0.3588633999999971 0.5944583699999981 0.5192778799999971 0.1119049799999985 0.5895591600000003 0.2113477600000024 0.3338731699999968 0.1778240100000019 0.5411865599999999 0.0836005199999974 0.1769193200000032 0.2159072500000008 0.3623135300000015 0.5887757599999972 0.0465827499999989 0.1262768799999989 0.5991592900000029 0.7536737100000011 0.3337121200000013 0.1769661599999992 0.0411474599999977 0.0839082500000004 0.1786168499999974 0.7144759299999990 0.8529100399999976 0.5943739699999995 0.5259039800000025 0.6142776800000007 0.5898224399999989 0.2108564999999984 0.8337471899999969 0.1781218400000029 0.5415014299999967 0.5839017400000017 0.1770640100000023 0.2158339100000006 0.8621233599999982 0.5894140199999995 0.0445688100000012 0.5938911599999983 0.5951712199999974 0.7424177199999988 0.8338573999999994 0.1770034299999992 0.0410899099999966 0.5837621299999967 0.1783811999999969 0.7146725400000022 0.0120810599999999 0.5935719399999968 0.1511211899999978 0.9330717200000009 0.1747528699999989 0.6016192399999980 0.1827176800000032 0.1733411900000021 0.1558456500000034 0.2620950399999984 0.5936063300000001 0.1062349400000002 0.0368504400000020 0.6235834499999982 0.7305997400000024 0.9328926199999970 0.1734470299999984 0.1012482499999976 0.1834002900000016 0.1750307499999977 0.6545885499999997 0.9445251100000007 0.6214372700000013 0.5225844100000003 0.5134706899999983 0.5939158300000003 0.1512764499999975 0.4330765400000018 0.1744265900000030 0.6013610999999983 0.6829304800000031 0.1734767700000006 0.1556942200000009 0.7624938900000018 0.5938502500000027 0.1048341799999974 0.4328223500000021 0.1734215700000021 0.1012262200000009 0.6832032599999991 0.1749331099999978 0.6546698499999977 0.4500086500000009 0.7264594000000031 0.6435899900000024 0.4535079500000023 0.6828714399999996 0.6417519399999989 0.8018683499999995 0.6747109800000004 0.7213366699999995 0.3631876999999974 0.6787011899999982 0.3909899000000010 0.5570129399999999 0.6805407000000017 0.8788685299999983 0.1254253800000029 0.6683224000000010 0.5537583699999971 0.4428286999999997 0.7856523600000003 0.6518209500000012 0.5720383499999997 0.7640065100000015 0.5212927899999968 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00