No title 1.00000000000000 30.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 C Si O N H 6 10 8 6 42 Direct 0.2128726899999975 0.5272876000000011 0.3224389599999995 0.2648401000000007 0.3971204300000011 0.2735964399999986 0.1346442700000026 0.4560498600000003 0.2237124999999978 0.6473753399999964 0.6385739600000022 0.4901942300000002 0.5512250399999985 0.5810651800000031 0.4922377299999994 0.5973882099999983 0.7756472800000012 0.4901047199999979 0.2668055400000000 0.4903062699999978 0.2806509300000002 0.1661848099999972 0.5357593100000031 0.2414544000000021 0.3582663199999985 0.5394847399999989 0.3567043999999981 0.4471817700000003 0.4748478200000008 0.3570808899999989 0.3726071600000012 0.4224091500000000 0.4811868700000019 0.6079971999999998 0.5747844899999990 0.4425171800000030 0.6449693100000005 0.7252001399999983 0.4453723499999995 0.6381233099999974 0.4220872599999979 0.4386923499999966 0.5733026400000014 0.3205977599999983 0.3683316899999980 0.5680484000000021 0.3665860300000006 0.5630507300000005 0.2794126599999984 0.5234017499999979 0.1828514799999965 0.3067754200000010 0.5105886600000034 0.3515938299999988 0.1906610699999973 0.5616176099999990 0.1471822000000031 0.1308373500000002 0.5968711700000000 0.2683720599999972 0.6054212199999967 0.5830259999999967 0.3327877299999997 0.6275339399999993 0.4999587900000009 0.4665957400000025 0.6406287100000014 0.7144280300000005 0.3348962600000007 0.6925928699999986 0.7665483500000008 0.4610288299999965 0.3929527299999975 0.4765657200000035 0.3983666999999969 0.3434970400000026 0.4601954700000022 0.5665399100000030 0.4686766700000007 0.5548334400000030 0.3624941100000001 0.5928351399999983 0.3699164200000027 0.4569313800000003 0.6033571400000000 0.3853390399999981 0.6501598500000014 0.6082570100000027 0.2579623299999980 0.3309652299999968 0.2012682800000007 0.4986676999999986 0.3809162800000010 0.2207197899999969 0.5781149199999973 0.3466170199999965 0.2538843900000032 0.5435025600000003 0.1520831200000003 0.2596894300000017 0.3741343299999969 0.3394372200000007 0.2965608700000004 0.3780868300000009 0.2468452099999965 0.2380651300000025 0.3800104700000020 0.2289084100000025 0.1081278400000016 0.4622490699999986 0.1736554900000016 0.1191074999999984 0.4383067600000032 0.2858975400000006 0.1570508699999991 0.4162508100000011 0.2000854699999977 0.1721780399999986 0.5847069200000021 0.1039501300000012 0.1024539699999991 0.5845430600000014 0.2944575400000033 0.3746479799999989 0.5594701899999990 0.2668382399999985 0.3571351699999994 0.5983292700000007 0.4177316099999970 0.4714700299999990 0.4227803599999973 0.4099830800000035 0.4495661400000017 0.4575865500000020 0.2605531900000031 0.3411572400000011 0.3732320000000016 0.4408415600000026 0.4121016300000022 0.3881386600000027 0.5203796400000016 0.3118890900000011 0.4766801800000025 0.5555749899999967 0.3595074799999978 0.4905875800000032 0.6105141099999969 0.4921889000000021 0.5696052400000013 0.3177049199999971 0.4745338500000003 0.5769472500000035 0.4223976600000015 0.6431938099999996 0.6400703699999966 0.5632633900000030 0.6814176500000002 0.6197870800000018 0.4777704700000029 0.6178435200000010 0.6253127000000021 0.3108753400000026 0.5510640999999978 0.5710043999999996 0.5642260799999974 0.5296383800000015 0.5436846200000005 0.4604247600000022 0.5364619899999994 0.6307200899999970 0.4807190399999968 0.5966241799999992 0.8260730200000026 0.4606970800000028 0.5994369599999985 0.7811647400000012 0.5630456600000002 0.5653181799999984 0.7514938200000003 0.4749038599999977 0.6486872999999989 0.7518111500000018 0.2969453799999968 0.6929313899999983 0.8015887399999997 0.5056549899999965 0.6496844300000006 0.4170420000000021 0.3419549500000016 0.6773251799999969 0.4017378200000010 0.4935122699999965 0.5314902699999990 0.2886976599999969 0.4011895599999988 0.5650880800000024 0.3635384700000017 0.2887719200000021 0.5309441799999988 0.4159854700000025 0.5696457199999969 0.5509438899999992 0.2971392700000024 0.5750709300000025 0.6099250899999973 0.4339605500000019 0.6652531499999981 0.6303953700000022 0.3562226100000032 0.6634282999999996 0.6328808299999977 0.2690551000000028 0.2867762500000026 0.6178083499999971 0.2202225400000017 0.3722149299999984 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00