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 0.8481174300000021 0.3068953699999994 0.0632346299999966 0.8484026300000025 0.3850998899999993 0.4446750099999974 0.0979980400000002 0.3068451199999984 0.1929946599999965 0.0982277800000020 0.3830418399999971 0.3179323199999970 0.8546041000000031 0.5409876000000011 0.4354952300000008 0.1036952400000004 0.5373630599999970 0.3084605499999995 0.8491731000000016 0.4582665499999976 0.0651130099999975 0.8445909400000033 0.2290847499999984 0.4420292599999982 0.0994487700000022 0.4583084400000033 0.1929479400000034 0.0945238500000016 0.2283885399999974 0.3141526699999986 0.3375161700000007 0.6569441500000011 0.5245461900000024 0.8483674900000011 0.3075067600000025 0.5644521299999994 0.8491436400000012 0.3833443500000016 0.9389933699999986 0.0983425399999973 0.3077796000000035 0.6934669700000029 0.0992497599999993 0.3858171199999987 0.8122817900000001 0.8491000599999978 0.5371164600000000 0.9485371199999975 0.0991053099999988 0.5410736400000005 0.8232428299999981 0.8499622799999997 0.4639895999999979 0.5625420200000022 0.8446515600000026 0.2283239699999982 0.9426552299999997 0.0988407099999975 0.4647111499999994 0.6931712199999964 0.0946684500000003 0.2291404999999997 0.8150012600000025 0.3479969699999970 0.3068733200000011 0.0632742399999984 0.3486713599999973 0.3849400900000006 0.4443108500000008 0.5980629299999976 0.3068466699999988 0.1928532900000022 0.5988290900000024 0.3829773900000006 0.3178160200000022 0.3551233900000028 0.5394791699999999 0.4333794200000014 0.6054373500000025 0.5377444200000028 0.3083356799999990 0.3498213000000021 0.4581466500000033 0.0660137799999987 0.3446470499999990 0.2289307799999989 0.4419332599999990 0.6001181600000010 0.4584559400000003 0.1935513399999991 0.5946233100000029 0.2284156899999985 0.3140348399999979 0.3482046999999966 0.3073412399999995 0.5644093299999966 0.3490151999999966 0.3833970600000001 0.9393858700000024 0.5982765999999984 0.3076681900000011 0.6933074199999965 0.5990206399999991 0.3856104600000023 0.8123867700000034 0.3478123499999981 0.5366696600000012 0.9501346099999992 0.5967247600000007 0.5392489199999986 0.8242346099999978 0.3493240499999999 0.4636912599999974 0.5632714099999987 0.3445738899999995 0.2283002900000000 0.9427512899999968 0.5998616299999995 0.4640942400000014 0.6925242000000011 0.5945904000000013 0.2290830099999965 0.8150335899999988 0.6017184600000007 0.6583989800000012 0.7422497900000025 0.3611353499999979 0.5932696100000001 0.5188864599999974 0.1116181499999982 0.5896245200000010 0.2122706800000032 0.3336917999999969 0.1777127499999978 0.5413610199999965 0.0834568900000008 0.1767166599999968 0.2159963399999967 0.3618450299999978 0.5886841700000005 0.0463200800000010 0.1207405099999974 0.5978808699999973 0.7469703100000018 0.3335216700000032 0.1766969700000018 0.0410806699999995 0.0837119600000023 0.1782194700000019 0.7147570699999974 0.8477367899999990 0.5950789700000030 0.5216981499999989 0.6139195399999977 0.5893800500000026 0.2108546400000009 0.8335860099999977 0.1779371399999974 0.5416304100000033 0.5836749500000025 0.1767280600000021 0.2159126099999966 0.8620114799999996 0.5893472799999984 0.0444787099999999 0.5927112700000023 0.5942239000000029 0.7426326799999998 0.8337014800000020 0.1767477499999970 0.0410516299999983 0.5835982899999976 0.1781321899999995 0.7148804099999992 0.0118357699999976 0.5932326900000007 0.1518422199999989 0.9328830600000018 0.1746665000000007 0.6018005900000034 0.1824943299999973 0.1732495199999988 0.1558461699999967 0.2618094799999966 0.5933153599999983 0.1060241200000007 0.0248177499999969 0.6223490599999977 0.7366094300000015 0.9326389699999993 0.1733342500000035 0.1013264099999986 0.1831016200000022 0.1748096700000019 0.6547211000000033 0.9424466899999970 0.6210783100000015 0.5202797199999978 0.5129059699999985 0.5933077999999981 0.1514504399999979 0.4328823700000015 0.1744254099999978 0.6015909199999996 0.6826397399999991 0.1732812899999985 0.1556870499999974 0.7621246799999994 0.5935375700000023 0.1048221699999985 0.4325452900000002 0.1732563899999988 0.1012606700000021 0.6829706199999990 0.1747989699999977 0.6547898500000002 0.4560932099999988 0.7238710900000029 0.6397908000000001 0.4620886700000000 0.6828656100000003 0.6369294499999967 0.8044189399999979 0.6737332699999996 0.7215475599999976 0.3769572900000000 0.6798649699999970 0.3902441999999979 0.5596235900000011 0.6810152999999985 0.8767243500000035 0.1321612300000012 0.6695795899999979 0.5450048000000010 0.4346356900000004 0.7923299699999973 0.6589767899999970 0.5711230499999971 0.7798095200000006 0.5450836400000014 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00