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 0.8491921000000033 0.3076543199999975 0.0639351100000027 0.8500942399999971 0.3851346200000023 0.4434261199999980 0.0991372200000029 0.3074983799999984 0.1917531699999984 0.0992058400000033 0.3836315699999986 0.3187957299999979 0.8559476599999982 0.5402202799999998 0.4366984500000015 0.1030982300000005 0.5377626200000023 0.3077378099999990 0.8508188899999993 0.4589520700000023 0.0662594900000002 0.8453358399999971 0.2297105900000034 0.4418439100000029 0.1002239399999993 0.4587511399999968 0.1917101800000012 0.0951757300000011 0.2289671899999988 0.3141986400000008 0.3132775199999998 0.6549993799999996 0.5196975799999990 0.8493999599999995 0.3080047699999966 0.5660019899999966 0.8494729700000008 0.3841146400000000 0.9376930600000009 0.0994545300000027 0.3090262199999998 0.6929427399999994 0.1001652899999996 0.3875705000000025 0.8140619300000012 0.8495712499999968 0.5379066899999998 0.9476067399999977 0.1052316999999974 0.5424863599999981 0.8267523700000012 0.8510323000000000 0.4637245999999990 0.5647332400000025 0.8452922600000008 0.2289657199999979 0.9422807099999986 0.0997148900000013 0.4668958399999994 0.6915106200000025 0.0955500900000033 0.2299513399999995 0.8153863200000018 0.3491909800000030 0.3076998200000034 0.0639730199999988 0.3487348499999996 0.3859757800000025 0.4431380899999979 0.5991200100000000 0.3076941899999994 0.1917664899999991 0.5998378999999971 0.3838621700000004 0.3193994200000034 0.3554348300000001 0.5368067400000029 0.4278120800000025 0.6082210200000020 0.5385209599999996 0.3084119600000008 0.3511923800000005 0.4583946300000008 0.0692243700000006 0.3452741099999983 0.2296258300000034 0.4415864300000010 0.6018300799999992 0.4593199199999987 0.1927842400000017 0.5953884700000032 0.2292783299999996 0.3143013899999971 0.3490111400000018 0.3082714100000032 0.5654919300000003 0.3500588500000035 0.3843664899999979 0.9385597699999977 0.5990862199999967 0.3084106399999982 0.6924387199999984 0.5993312599999996 0.3862568500000023 0.8141637700000004 0.3493885999999975 0.5362445900000026 0.9520303099999978 0.5964539400000035 0.5383874999999989 0.8263355099999998 0.3494116999999974 0.4647252800000032 0.5649794999999997 0.3455805400000003 0.2289300300000008 0.9424047700000031 0.6002311000000020 0.4643860700000033 0.6894473400000010 0.5953344400000020 0.2296480700000032 0.8150740900000031 0.6020397599999967 0.6586977099999984 0.7381941599999990 0.3600953199999992 0.5920722500000011 0.5191551099999998 0.1111642099999983 0.5902559399999987 0.2120737099999985 0.3346347900000026 0.1780931799999976 0.5405201800000015 0.0842512500000012 0.1771063099999992 0.2162396900000019 0.3646914199999998 0.5891420100000033 0.0461790900000025 0.1457943799999981 0.6042873900000032 0.7655010399999966 0.3343835700000000 0.1772552300000001 0.0408302100000029 0.0845965199999981 0.1791515800000028 0.7144555599999975 0.8572298400000022 0.5923990200000020 0.5335839099999973 0.6134950499999974 0.5916569199999984 0.2141303100000016 0.8343505899999997 0.1782288400000027 0.5408244099999990 0.5846066100000016 0.1775201800000019 0.2161364700000021 0.8606646599999976 0.5904809800000024 0.0441925599999990 0.5936758400000031 0.5942860400000001 0.7427541799999986 0.8345219699999973 0.1772874099999981 0.0406537799999995 0.5845201500000030 0.1786382399999979 0.7147800500000017 0.0119457999999995 0.5929545099999984 0.1503159399999987 0.9335192300000017 0.1753009999999975 0.6013622899999973 0.1831882099999973 0.1738877800000012 0.1557382900000022 0.2642944799999967 0.5936258099999989 0.1052704299999974 0.0507762200000030 0.6174917100000030 0.7241439299999968 0.9334200699999968 0.1740032900000017 0.1011480499999990 0.1840307000000010 0.1757832099999987 0.6542490000000001 0.9374565700000019 0.6209225899999993 0.5171029400000009 0.5133693499999978 0.5934499299999985 0.1529684400000022 0.4337642899999992 0.1749199200000007 0.6010016000000036 0.6835225800000018 0.1742523699999978 0.1556613999999996 0.7615860800000007 0.5940806099999989 0.1051236400000022 0.4333014400000010 0.1740836900000033 0.1013231000000019 0.6837957799999970 0.1754839500000003 0.6543701599999991 0.4283969199999973 0.7539954200000025 0.6589696699999976 0.4776588699999991 0.6889367500000034 0.6112416699999983 0.7967505000000017 0.6805018200000035 0.7148683799999986 0.3100138900000005 0.6811641399999999 0.3841327600000000 0.5366259500000012 0.6834243300000011 0.8650563200000008 0.1236564800000011 0.6706059899999985 0.5745682900000020 0.4291618499999998 0.7940563699999998 0.6673036199999984 0.6065866400000033 0.6962157099999970 0.5297778600000029 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00