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 0.8493318000000016 0.3078520099999977 0.0634778299999965 0.8496771800000005 0.3851103000000009 0.4443933399999977 0.0993587099999971 0.3076165499999988 0.1926727000000028 0.0991216800000032 0.3836251600000011 0.3187896900000027 0.8565889400000017 0.5396554900000012 0.4369322100000019 0.1022845199999978 0.5370002900000017 0.3072291699999994 0.8511930299999975 0.4592905200000033 0.0637113399999976 0.8454682200000008 0.2298340700000026 0.4420365300000029 0.0991039600000008 0.4584409599999972 0.1917031699999967 0.0953294400000004 0.2292060799999973 0.3141776900000011 0.3194335499999994 0.6560375099999973 0.5220107199999973 0.8497159900000000 0.3079947700000005 0.5654539599999993 0.8503421500000030 0.3842288399999987 0.9378798300000000 0.0997622499999977 0.3092367400000029 0.6936334600000009 0.1000482099999971 0.3874550800000023 0.8124495899999999 0.8523819899999978 0.5384437199999965 0.9476678400000011 0.1078112599999983 0.5414627800000034 0.8283878499999986 0.8509871099999984 0.4633787300000023 0.5641757400000031 0.8455613499999970 0.2291699299999976 0.9424363299999996 0.0996991000000023 0.4662172000000027 0.6934681099999978 0.0957664600000001 0.2303321300000007 0.8149917699999989 0.3492552800000013 0.3076094899999973 0.0634779800000018 0.3495114799999968 0.3853968700000010 0.4436346299999983 0.5991930100000005 0.3080039299999981 0.1928551299999981 0.6002699900000010 0.3841404599999976 0.3189040199999980 0.3536891400000002 0.5380776000000012 0.4303844100000020 0.6081955399999970 0.5381748799999997 0.3091874099999998 0.3523282199999969 0.4578041199999987 0.0693512100000007 0.3452613500000012 0.2299543700000015 0.4418535800000001 0.6042258499999988 0.4590809000000036 0.1925160500000018 0.5953816399999994 0.2294358799999969 0.3142301900000035 0.3489177900000016 0.3082059199999989 0.5647313899999986 0.3494219000000029 0.3840806799999967 0.9387823300000022 0.5989050100000028 0.3084149000000025 0.6928503199999980 0.5995334899999989 0.3861514000000028 0.8132628899999972 0.3553222399999996 0.5360371800000010 0.9538183399999980 0.6003763900000010 0.5392345899999995 0.8243828600000001 0.3489582500000026 0.4634069800000020 0.5647065400000031 0.3455761299999978 0.2290604900000019 0.9425765800000008 0.6001068899999993 0.4642156099999966 0.6915464699999987 0.5954051699999994 0.2298084199999977 0.8149133000000006 0.5996659099999988 0.6587317099999979 0.7385369499999968 0.3463412300000002 0.5937170099999989 0.5142313200000004 0.1100460099999978 0.5900293700000034 0.2123714600000000 0.3347665800000001 0.1784682700000033 0.5407523800000007 0.0844958699999978 0.1773767600000014 0.2161957000000001 0.3656938900000029 0.5891493700000012 0.0480775199999997 0.1402821699999990 0.5998244299999982 0.7622242400000019 0.3345977399999995 0.1773936100000029 0.0409405400000011 0.0848298700000001 0.1794329599999998 0.7144502200000034 0.8585527700000029 0.5913580699999983 0.5335831900000017 0.6137306500000008 0.5909755300000015 0.2139600000000002 0.8346114000000000 0.1783326999999986 0.5409292000000008 0.5848006299999966 0.1776606700000016 0.2160556500000013 0.8598859700000006 0.5907576600000013 0.0443725499999985 0.5914543800000018 0.5959081900000029 0.7428498100000027 0.8347101399999985 0.1774446299999966 0.0407040300000006 0.5848094899999978 0.1787680899999984 0.7147369699999970 0.0114602000000019 0.5933476200000030 0.1510529700000021 0.9335884899999982 0.1753079400000033 0.6013217400000030 0.1832420799999994 0.1739550200000011 0.1558707200000029 0.2639552400000014 0.5939325900000014 0.1059019100000000 0.0425936999999976 0.6188553499999969 0.7252599999999987 0.9334543599999989 0.1740497600000026 0.1010534600000028 0.1840835499999969 0.1759006699999972 0.6544103100000029 0.9305083900000000 0.6220319999999973 0.5139867800000033 0.5134934399999977 0.5938291000000007 0.1532718099999997 0.4338429900000023 0.1750890799999993 0.6009090499999985 0.6835614399999983 0.1742843700000023 0.1557127000000023 0.7608333599999995 0.5942447400000006 0.1054505999999975 0.4333957200000000 0.1741143899999997 0.1012827799999982 0.6839180500000026 0.1754905700000009 0.6544906800000021 0.4290976799999981 0.7565716599999988 0.6570167499999968 0.4812477700000031 0.6859909000000002 0.6139719399999990 0.7947800700000016 0.6786700099999976 0.7180494899999985 0.3230523800000000 0.6824768700000021 0.3896467799999996 0.5259488299999973 0.6843105100000031 0.8619711400000014 0.1287431399999974 0.6688394399999993 0.5747244399999971 0.4254299700000033 0.7933764400000030 0.6690949099999983 0.6137354999999971 0.6965526700000026 0.5191840800000023 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00