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 0.8478086000000005 0.3066541700000016 0.0634333200000015 0.8480748599999970 0.3850220799999988 0.4447074200000003 0.0976334300000019 0.3066870700000024 0.1932175600000008 0.0980115600000033 0.3829090600000029 0.3180903800000010 0.8536989600000027 0.5406076100000021 0.4346409999999992 0.1033040499999984 0.5370923700000034 0.3085270300000005 0.8491565699999981 0.4578941799999967 0.0651677000000035 0.8441354599999968 0.2288341200000019 0.4419846199999995 0.0990424900000022 0.4581039999999987 0.1930788499999991 0.0942087900000033 0.2282007100000030 0.3142611700000018 0.3484168399999987 0.6576768899999976 0.5211028399999975 0.8476262499999976 0.3073137399999979 0.5642094600000007 0.8490670199999997 0.3830227799999975 0.9389613999999966 0.0977103499999998 0.3073781800000006 0.6931201299999969 0.0988979400000005 0.3852841400000031 0.8119787999999986 0.8495614699999976 0.5365933400000031 0.9491508199999998 0.0977240400000028 0.5399407399999987 0.8234954400000021 0.8497098400000027 0.4638497099999981 0.5629147799999998 0.8441146300000000 0.2280885699999970 0.9427963199999994 0.0987043599999993 0.4639190099999979 0.6929755499999999 0.0941045499999973 0.2288602799999992 0.8150258000000008 0.3475611200000017 0.3066115600000003 0.0634582400000028 0.3484165099999998 0.3847677600000026 0.4443645500000031 0.5976705799999991 0.3065443400000021 0.1929824899999986 0.5984721199999967 0.3827623800000026 0.3177097900000021 0.3553305599999987 0.5388473599999983 0.4330398000000031 0.6053717500000033 0.5368761900000010 0.3071717199999995 0.3486586499999973 0.4578097400000019 0.0655711100000005 0.3443287500000025 0.2287376900000027 0.4419442100000026 0.5994515000000007 0.4579013500000002 0.1925352700000005 0.5942596200000025 0.2280435799999978 0.3139853899999991 0.3477819499999981 0.3071817699999997 0.5642634100000024 0.3484261799999970 0.3829921399999989 0.9391495300000017 0.5977491499999985 0.3073762400000035 0.6932500899999994 0.5987647700000025 0.3851700499999993 0.8126024299999983 0.3474302199999997 0.5364797499999980 0.9499854800000023 0.5970339599999974 0.5389693400000013 0.8244789600000004 0.3492051599999968 0.4631925999999993 0.5637305400000017 0.3439580300000031 0.2280508400000016 0.9428606299999984 0.5995962900000009 0.4635565099999965 0.6925808399999980 0.5940554299999974 0.2288559100000001 0.8151458000000034 0.6037004499999981 0.6584372000000016 0.7405779300000006 0.3627836799999997 0.5931939299999982 0.5186327400000010 0.1115747899999988 0.5894981799999996 0.2129143299999967 0.3332716500000004 0.1776128500000027 0.5415994199999972 0.0831323999999967 0.1765505099999984 0.2160640500000000 0.3606472700000012 0.5885834799999969 0.0459551399999967 0.1104978500000016 0.5964888099999968 0.7423672199999984 0.3330923400000003 0.1764229099999994 0.0410994200000019 0.0833201299999971 0.1778559799999968 0.7150129099999987 0.8423359499999989 0.5958060099999969 0.5170079500000000 0.6138270000000006 0.5886765300000008 0.2101171199999996 0.8332804100000004 0.1777763300000004 0.5418256000000028 0.5833327400000030 0.1763579100000001 0.2158799400000007 0.8621303299999994 0.5890710500000012 0.0442813100000023 0.5912123100000031 0.5941764100000029 0.7425589099999996 0.8333552900000001 0.1764745799999972 0.0410924500000007 0.5832350800000015 0.1778881799999965 0.7150539599999988 0.0117564099999967 0.5930840500000016 0.1525851800000027 0.9325767300000010 0.1745256000000026 0.6020436299999972 0.1821515700000020 0.1730799099999984 0.1558758999999981 0.2611031400000030 0.5931363999999988 0.1061575100000027 0.0179730500000019 0.6219797500000013 0.7384927000000019 0.9322310800000011 0.1731458599999982 0.1014750399999969 0.1826559799999998 0.1745296499999966 0.6548866899999979 0.9397637399999965 0.6208602299999981 0.5189106600000031 0.5124219599999975 0.5928004599999994 0.1511173700000015 0.4324599099999986 0.1743548000000033 0.6018727900000016 0.6822411400000021 0.1729630800000024 0.1555538400000032 0.7620370799999989 0.5930508599999982 0.1047004899999990 0.4321461700000029 0.1729918400000017 0.1012815500000031 0.6825801399999989 0.1746187000000035 0.6548978800000000 0.4583138200000008 0.7258956299999966 0.6403299099999984 0.4713927600000005 0.6849187299999997 0.6333214100000006 0.8079343100000003 0.6721287900000021 0.7211316200000013 0.3909487499999997 0.6801663199999979 0.3865733100000028 0.5618608999999992 0.6810194700000025 0.8748324499999995 0.1431235299999969 0.6705171400000012 0.5378542199999998 0.4204722599999968 0.7932202599999982 0.6685271300000011 0.5789342400000024 0.7959160799999978 0.5661389799999981 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00