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 0.8495441000000028 0.3080335699999992 0.0624267600000010 0.8502095199999999 0.3853575799999973 0.4443137800000017 0.0995063399999978 0.3076955399999974 0.1924490399999996 0.0996232899999967 0.3836543600000013 0.3176115300000006 0.8602481100000006 0.5430140200000011 0.4397266000000002 0.1030879999999996 0.5377498499999973 0.3046763999999982 0.8470467200000016 0.4591744100000028 0.0666802499999974 0.8459338500000015 0.2300685000000016 0.4422485999999992 0.0992942000000028 0.4587131799999966 0.1921866400000027 0.0956660700000000 0.2292666700000012 0.3136025499999988 0.3513299500000002 0.6586814899999993 0.5176936599999991 0.8502079900000012 0.3083082699999977 0.5650881199999986 0.8493609499999977 0.3847873899999996 0.9390003399999998 0.0998312500000011 0.3096817599999966 0.6947778899999975 0.1006080399999973 0.3883057999999977 0.8132014700000028 0.8524348700000033 0.5375691500000030 0.9509509800000018 0.1039699700000014 0.5430733600000011 0.8207363300000026 0.8512559400000015 0.4645065500000030 0.5599053700000027 0.8459600099999989 0.2293419499999985 0.9425499700000017 0.1013167400000015 0.4665153500000017 0.6901068900000027 0.0961501399999989 0.2305593700000017 0.8148911199999986 0.3496372299999990 0.3080462400000030 0.0625497600000031 0.3502344799999975 0.3847791199999975 0.4433283899999978 0.5996621999999974 0.3082911400000015 0.1924319900000029 0.6007738699999976 0.3842275499999985 0.3180336499999967 0.3507141500000017 0.5411821699999990 0.4360724399999967 0.6069399300000029 0.5423187700000014 0.3125170599999976 0.3542978500000018 0.4589968700000000 0.0691119800000024 0.3454938400000032 0.2296891599999995 0.4421316500000003 0.6024700600000017 0.4614709399999981 0.2000065399999968 0.5957855699999968 0.2298295200000027 0.3138625099999999 0.3490876999999983 0.3078920700000012 0.5648060899999976 0.3513903099999993 0.3849501600000025 0.9397444800000017 0.5995025200000015 0.3087853999999979 0.6935429299999996 0.6002839399999971 0.3869415699999976 0.8120267099999978 0.3543014999999983 0.5371542000000034 0.9535768900000008 0.6011133499999985 0.5414521800000003 0.8189662600000034 0.3517124199999984 0.4635668900000027 0.5604234400000010 0.3461932900000022 0.2293463900000035 0.9426905799999972 0.6016326199999966 0.4650505099999975 0.6907137899999967 0.5959970899999973 0.2300569599999989 0.8145889199999985 0.5916414599999982 0.6628370800000027 0.7431569700000011 0.3332955899999988 0.5925212699999989 0.5236450900000023 0.1131666499999966 0.5895002199999979 0.2084116199999997 0.3348495299999996 0.1780898700000009 0.5402685899999966 0.0845576600000015 0.1775159099999968 0.2159100399999971 0.3636793800000007 0.5895492699999991 0.0467076500000019 0.1092278400000026 0.6043320300000019 0.7810853599999987 0.3348669599999994 0.1778450899999982 0.0410615300000003 0.0850038700000013 0.1800366100000019 0.7138013000000001 0.8739071099999975 0.5910348299999981 0.5402583999999990 0.6168188299999997 0.5914734899999985 0.2095992699999982 0.8345974699999985 0.1786012499999998 0.5407310699999996 0.5850456800000003 0.1781669699999995 0.2158893399999968 0.8615714900000029 0.5901899200000003 0.0436685000000026 0.5961577100000000 0.5969682100000000 0.7431554300000016 0.8348765100000008 0.1778381199999970 0.0408945100000011 0.5847458000000003 0.1792665899999974 0.7142505599999964 0.0131577300000032 0.5943947000000023 0.1489987599999978 0.9337251800000033 0.1753574399999991 0.6009559700000011 0.1835555500000012 0.1739708899999997 0.1558078400000014 0.2634932400000025 0.5941688799999980 0.1069538300000019 0.1079101500000021 0.6263358200000013 0.7050928900000031 0.9338622799999996 0.1741697000000002 0.1009881600000000 0.1845560499999976 0.1761482599999979 0.6541080399999970 0.9526317999999989 0.6217824699999994 0.5342084299999996 0.5153221500000029 0.5956569499999986 0.1509805999999969 0.4338267600000023 0.1747435300000006 0.6005387200000030 0.6840053800000021 0.1745226999999971 0.1557716200000030 0.7633023400000027 0.5944408499999980 0.1055619400000012 0.4338608099999988 0.1743383199999968 0.1011901999999978 0.6840790999999982 0.1757194099999992 0.6542570699999999 0.4413845099999989 0.7527142699999985 0.6486169599999982 0.4457601499999981 0.6885394299999987 0.6439748399999985 0.7892079900000013 0.6805359000000024 0.7209513900000033 0.2641836100000035 0.6820387200000013 0.3926286900000022 0.5420854400000010 0.6799868599999996 0.8807179200000022 0.1391928299999989 0.6629956399999983 0.5870154600000035 0.4361919899999975 0.7900123200000024 0.6612218599999977 0.5529281100000034 0.6580085599999990 0.4552645500000025 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00