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 0.8484749799999989 0.3072126599999976 0.0630490799999990 0.8488941100000034 0.3852703199999965 0.4448889100000031 0.0984521000000029 0.3070948200000032 0.1931481399999981 0.0986428799999999 0.3833534600000021 0.3181079900000015 0.8560988500000022 0.5409441299999997 0.4367901099999969 0.1033166499999965 0.5374976499999988 0.3074514500000021 0.8506526999999977 0.4589586900000029 0.0645508100000001 0.8452169299999994 0.2293483199999997 0.4421372700000035 0.0994933400000022 0.4584819900000028 0.1930870200000001 0.0951074600000013 0.2285974199999998 0.3140363899999983 0.3322252700000021 0.6572901700000031 0.5284290600000006 0.8489422899999965 0.3077207999999985 0.5646397399999969 0.8494568699999974 0.3839205199999967 0.9390457100000020 0.0990842900000004 0.3083657199999976 0.6938619900000020 0.0994236000000015 0.3866099500000004 0.8122258399999964 0.8509524799999966 0.5378269799999984 0.9490578400000018 0.1021427900000020 0.5415738399999981 0.8247611899999967 0.8500784699999997 0.4639645700000017 0.5629361399999979 0.8451613000000009 0.2285121500000002 0.9425661399999967 0.0991210099999975 0.4653313399999988 0.6933692200000010 0.0952923400000003 0.2294681899999986 0.8147890899999979 0.3483053699999985 0.3070584600000004 0.0630295599999968 0.3487697999999995 0.3854456299999995 0.4446092600000000 0.5982961799999984 0.3071823900000012 0.1931577200000021 0.5990292500000010 0.3836154099999973 0.3179068900000033 0.3539114399999974 0.5399809899999966 0.4342846199999997 0.6065577299999987 0.5383192899999969 0.3086719499999973 0.3505069599999970 0.4580208799999994 0.0671733900000007 0.3451516399999974 0.2293036299999969 0.4420147800000009 0.6019179399999999 0.4590155300000021 0.1933511499999980 0.5951503599999981 0.2286549399999984 0.3140832799999984 0.3486660399999977 0.3078164900000004 0.5641687199999978 0.3491909600000014 0.3836927799999970 0.9393647999999999 0.5985732500000012 0.3079167100000006 0.6934704700000012 0.5991848299999987 0.3857992000000010 0.8124234300000026 0.3507089200000024 0.5365088699999987 0.9523326200000000 0.5984527000000028 0.5393697499999988 0.8245469599999993 0.3488527399999981 0.4638129599999985 0.5633245699999989 0.3451565399999978 0.2284586999999974 0.9426588999999979 0.5993441000000033 0.4640788600000008 0.6925401499999992 0.5950820199999995 0.2292772699999972 0.8147384800000026 0.5969592399999968 0.6589620800000020 0.7432572900000025 0.3535482599999966 0.5929422700000018 0.5228215100000000 0.1109631200000010 0.5897689000000028 0.2118948199999977 0.3342431599999998 0.1780015900000009 0.5410975899999997 0.0839341100000013 0.1768951700000017 0.2160586199999983 0.3629419999999968 0.5887858299999991 0.0474579500000019 0.1255361799999974 0.5989594400000016 0.7536052199999972 0.3340809800000031 0.1769053200000030 0.0410247699999999 0.0842900399999991 0.1785733199999981 0.7145734200000007 0.8540181500000017 0.5935120600000019 0.5273482799999982 0.6143766799999995 0.5901688399999969 0.2120226600000024 0.8340632399999990 0.1780881999999977 0.5413270800000021 0.5842253499999970 0.1769906600000013 0.2159880999999970 0.8617738900000020 0.5899984400000022 0.0448519600000026 0.5938546000000002 0.5943153799999976 0.7435863099999978 0.8341065299999997 0.1769464699999972 0.0409355099999971 0.5842064899999997 0.1783017099999995 0.7147743900000023 0.0112409700000029 0.5933458200000032 0.1513343000000020 0.9332513599999999 0.1747763799999973 0.6015096499999970 0.1828264600000011 0.1733523500000018 0.1558497500000016 0.2623210300000025 0.5938615600000006 0.1064176399999965 0.0277045899999990 0.6220349099999964 0.7361657000000008 0.9330128100000010 0.1734446700000021 0.1011708699999971 0.1835734000000002 0.1750277399999973 0.6545263399999968 0.9384986900000030 0.6222311200000021 0.5183622799999981 0.5130881199999990 0.5940205400000025 0.1527574300000012 0.4333768600000028 0.1745219499999990 0.6012496600000006 0.6831047299999966 0.1735163099999966 0.1557250999999980 0.7615233499999974 0.5942444499999979 0.1048098600000031 0.4329749899999982 0.1734434500000006 0.1012678800000018 0.6834444400000024 0.1749099000000029 0.6546281099999973 0.4381222399999984 0.7258231899999998 0.6507291799999990 0.4492842100000018 0.6837364000000008 0.6440812600000001 0.7977041799999967 0.6748716900000034 0.7182860300000016 0.3652952099999993 0.6799415400000015 0.3930594500000026 0.5602588300000022 0.6793784700000032 0.8803564999999978 0.1248916899999983 0.6677500899999984 0.5462669699999978 0.4547788499999967 0.7858109000000013 0.6392984499999983 0.5816040500000028 0.7656028000000035 0.5129926700000027 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00