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 0.8484218299999995 0.3071260600000016 0.0630493199999975 0.8489353800000004 0.3852170099999981 0.4448436200000003 0.0983996699999992 0.3070411100000001 0.1930054600000020 0.0986948999999981 0.3832620399999982 0.3179581400000018 0.8558865600000019 0.5410589199999976 0.4365955600000007 0.1034289400000006 0.5375486499999980 0.3076629199999985 0.8503174299999969 0.4588823099999999 0.0646189699999979 0.8451206000000013 0.2293440999999987 0.4421358800000021 0.0996606499999970 0.4585453299999998 0.1931873899999985 0.0949958899999999 0.2285825499999987 0.3139898200000033 0.3327870199999978 0.6570512500000021 0.5288329999999988 0.8488416799999996 0.3076890500000005 0.5646110699999980 0.8492522600000001 0.3837743099999997 0.9390762100000032 0.0989645399999972 0.3082672600000009 0.6938166099999989 0.0994997900000030 0.3865690900000018 0.8122795700000012 0.8504000699999992 0.5377198600000028 0.9486180700000020 0.1016528999999977 0.5416660400000026 0.8240960099999981 0.8501755799999984 0.4640293300000025 0.5627860900000030 0.8450744499999985 0.2285096999999965 0.9426323200000013 0.0991745600000016 0.4654574099999991 0.6933923500000034 0.0951936700000005 0.2294059199999978 0.8148658200000014 0.3483386799999977 0.3070682999999974 0.0630511900000030 0.3487328599999984 0.3854493500000018 0.4447587499999983 0.5983252199999995 0.3070839700000008 0.1929523100000026 0.5989660299999997 0.3833789700000025 0.3178889300000023 0.3542755000000000 0.5399992999999981 0.4339667599999970 0.6064331800000033 0.5383643600000028 0.3086470599999984 0.3503135200000003 0.4582346299999998 0.0666518999999965 0.3450697000000034 0.2292139799999973 0.4420141299999969 0.6013147199999977 0.4590089499999976 0.1937817999999965 0.5950950599999985 0.2286663900000008 0.3140306000000024 0.3486471100000017 0.3077437900000035 0.5642047999999988 0.3493554699999990 0.3837025899999986 0.9394755300000028 0.5985615600000003 0.3079318200000003 0.6935261699999984 0.5990927200000016 0.3858666900000003 0.8122572600000026 0.3492933400000027 0.5365759600000004 0.9516423299999985 0.5973996900000031 0.5393882199999993 0.8244319200000021 0.3489369300000007 0.4640063599999991 0.5631011299999997 0.3451250900000034 0.2284746799999979 0.9427042200000031 0.5994263799999970 0.4642063200000024 0.6923486100000034 0.5950692999999987 0.2292786699999994 0.8147751300000010 0.5966710100000014 0.6588375899999974 0.7431451499999966 0.3543983599999976 0.5927582400000020 0.5224259399999980 0.1113156999999987 0.5897609800000012 0.2117786499999994 0.3341374000000030 0.1779048499999973 0.5410984199999973 0.0838098299999999 0.1768737800000011 0.2160160500000003 0.3627874299999974 0.5887566700000022 0.0470176500000008 0.1281086099999982 0.5989922099999987 0.7534233599999993 0.3339512900000017 0.1769094100000004 0.0410443099999966 0.0841636399999999 0.1785430999999988 0.7145397299999985 0.8535072199999973 0.5936461800000004 0.5268018900000015 0.6143123299999971 0.5901175500000022 0.2117125299999998 0.8339448400000009 0.1780934200000033 0.5413609399999970 0.5841151899999986 0.1770053600000026 0.2159514000000016 0.8616681499999999 0.5897703400000012 0.0448219700000010 0.5945856100000029 0.5941994200000025 0.7436305499999989 0.8340284900000015 0.1769422100000000 0.0409665299999986 0.5840626299999983 0.1783182900000000 0.7147619899999995 0.0115709600000002 0.5933096400000011 0.1512921699999978 0.9331830400000030 0.1747830899999983 0.6015304900000018 0.1827817699999983 0.1733611200000027 0.1558391200000031 0.2624657200000016 0.5937338600000004 0.1062086000000022 0.0295745900000028 0.6222286799999992 0.7350139899999988 0.9329795100000027 0.1734594200000004 0.1011885300000017 0.1835244600000010 0.1750254299999980 0.6545190100000013 0.9406682600000025 0.6220401200000012 0.5195026900000030 0.5131262399999983 0.5939079400000011 0.1524088099999972 0.4332847399999977 0.1744876400000024 0.6012840900000000 0.6830456699999985 0.1735265399999975 0.1557250400000001 0.7617129100000000 0.5941642000000016 0.1049557600000028 0.4329120700000004 0.1734552300000018 0.1012518400000033 0.6833477599999966 0.1749233700000019 0.6546414900000030 0.4397265799999985 0.7264250699999977 0.6505002399999995 0.4511798300000009 0.6838097500000018 0.6428407499999977 0.7976573999999985 0.6750164899999973 0.7194982299999992 0.3630177399999965 0.6800278199999994 0.3933242299999975 0.5603510700000029 0.6798337700000019 0.8801866700000005 0.1256287200000017 0.6680357400000005 0.5475357500000015 0.4522108700000018 0.7846242299999986 0.6423609799999994 0.5798745499999995 0.7664349699999988 0.5138810899999982 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00