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 0.8495956599999985 0.3081037500000008 0.0622496299999966 0.8503160599999973 0.3854004299999971 0.4442013199999977 0.0995300399999977 0.3077626099999975 0.1923020600000029 0.0998129700000021 0.3836673899999994 0.3175973499999998 0.8606880899999965 0.5432272700000027 0.4399162200000006 0.1029806499999992 0.5377413900000008 0.3043670500000033 0.8467052199999969 0.4592905399999978 0.0667961099999985 0.8459960200000012 0.2301685899999981 0.4422626899999997 0.0992684100000005 0.4586959399999984 0.1918399600000029 0.0957130500000005 0.2293659899999980 0.3135904299999979 0.3456723700000026 0.6554805800000025 0.5199453099999971 0.8503781200000020 0.3084048999999993 0.5651401499999977 0.8494430499999979 0.3848890000000011 0.9389183899999978 0.0999117699999985 0.3098183600000013 0.6949455700000016 0.1008481300000028 0.3885473699999977 0.8132397500000010 0.8529869300000001 0.5377722599999970 0.9508122900000018 0.1045492699999997 0.5430631999999989 0.8203835999999995 0.8516250300000010 0.4645184999999969 0.5600026899999975 0.8459772599999980 0.2294043799999983 0.9424741400000016 0.1015190999999973 0.4667273800000018 0.6902171300000006 0.0961771500000026 0.2306601000000015 0.8149200200000024 0.3497233100000017 0.3081459699999982 0.0624231199999983 0.3504370699999981 0.3846395799999982 0.4433685899999986 0.5997575100000034 0.3083848200000006 0.1923532699999981 0.6008293200000026 0.3844152300000019 0.3178216900000024 0.3488439899999989 0.5399029499999983 0.4360027299999985 0.6063060399999998 0.5435458899999972 0.3143429599999976 0.3547342700000016 0.4590149100000005 0.0692668900000015 0.3455033600000021 0.2297535900000014 0.4421492800000024 0.6023476200000033 0.4621260899999982 0.2010572399999973 0.5957982500000014 0.2299482399999988 0.3138856300000015 0.3490744200000009 0.3078851699999987 0.5648669999999996 0.3517340499999975 0.3850448499999999 0.9395881700000004 0.5995718400000030 0.3088580300000032 0.6935142100000036 0.6004851900000006 0.3870259199999992 0.8118330200000017 0.3546138299999981 0.5372430600000015 0.9537415499999966 0.6010907000000003 0.5417756100000020 0.8183149400000005 0.3515367899999973 0.4630740300000014 0.5603703100000033 0.3461982500000005 0.2294436199999978 0.9426683100000020 0.6016007099999996 0.4651368999999974 0.6903111499999994 0.5960008799999983 0.2301551899999978 0.8146054799999973 0.5925837099999995 0.6628055199999991 0.7413464700000034 0.3180588900000032 0.5891191700000036 0.5311625900000010 0.1132038200000025 0.5896788000000015 0.2082044100000005 0.3348669700000002 0.1781160900000032 0.5401858600000011 0.0845917500000013 0.1775997800000013 0.2159463200000005 0.3636937300000014 0.5897021600000016 0.0467588699999979 0.1094134499999981 0.6034987299999983 0.7810607799999971 0.3349386900000013 0.1779528100000007 0.0410396300000002 0.0851314100000025 0.1801533499999977 0.7138107099999971 0.8748983699999968 0.5910088799999969 0.5411123100000026 0.6182703799999985 0.5913133199999976 0.2077434799999978 0.8345884900000016 0.1786810999999986 0.5406943600000034 0.5850694299999972 0.1782875399999995 0.2159108099999969 0.8619926000000007 0.5903479700000034 0.0435879400000019 0.5956186399999979 0.5972611799999967 0.7427573300000034 0.8349132299999980 0.1779189499999987 0.0408585099999996 0.5847906699999967 0.1793761400000022 0.7142621799999986 0.0131865299999987 0.5944774499999994 0.1484981500000018 0.9337317900000031 0.1754048199999971 0.6008956399999974 0.1835550099999992 0.1740518699999996 0.1558113899999967 0.2634690100000014 0.5942503200000004 0.1071513899999985 0.1087715099999969 0.6273690599999995 0.7063606800000031 0.9338783399999997 0.1742675599999970 0.1009888999999973 0.1846106899999995 0.1762680399999965 0.6540315800000016 0.9545201500000005 0.6215943099999990 0.5371309499999981 0.5155223900000010 0.5959063499999999 0.1502745700000006 0.4337984599999984 0.1747764400000023 0.6005000299999992 0.6840599399999974 0.1746339800000030 0.1558173399999987 0.7633118299999992 0.5943709100000021 0.1057594500000008 0.4339460699999975 0.1744317799999990 0.1011644900000022 0.6840932300000020 0.1758375900000004 0.6542229399999968 0.4415536500000030 0.7524403199999981 0.6466161199999974 0.4544187199999996 0.6878561300000001 0.6363449199999991 0.7895333700000009 0.6809263500000000 0.7219527900000031 0.2731712200000018 0.6827253399999975 0.3955909199999965 0.5396751899999970 0.6801957300000012 0.8778628100000034 0.1410673900000035 0.6628036500000007 0.5873809300000019 0.4368882799999980 0.7903499100000033 0.6621604999999988 0.5467739400000013 0.6584453299999993 0.4526848799999996 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00