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 0.3584928800000000 0.5357903499999992 0.4229767400000028 0.3710848699999971 0.4268189100000015 0.5694162100000000 0.4625780100000014 0.5207486299999999 0.4125273800000002 0.5834807600000005 0.3468870399999986 0.3089055800000011 0.5195975500000003 0.3888353099999975 0.4624099500000014 0.5066296199999982 0.2471861000000004 0.2673465000000022 0.3394065100000034 0.5027849599999996 0.5340260799999967 0.4136815900000030 0.5780356100000006 0.4187329399999982 0.2341845500000019 0.4863714399999992 0.5566981699999971 0.1785135699999998 0.4033568700000032 0.6799623200000013 0.2301407200000014 0.3376965300000023 0.5241770599999995 0.5786753499999975 0.3803147699999982 0.4259798000000004 0.5675291700000002 0.2577792599999995 0.2909715300000002 0.6451007399999966 0.5002759699999970 0.4596374200000000 0.6360373099999990 0.6090576200000015 0.5971223100000032 0.6056771100000020 0.6350825999999969 0.4076297100000019 0.3426958900000017 0.5630410500000025 0.6092729300000030 0.2865427500000024 0.4807837899999967 0.5260801000000015 0.4153275800000031 0.6223040900000001 0.5138766999999973 0.4140221099999977 0.6288373000000007 0.3309600400000008 0.6073621000000031 0.3313624099999970 0.4939036399999992 0.6013532999999995 0.4555247199999997 0.4308798300000021 0.5827919899999969 0.2191496299999969 0.3852548500000026 0.5972437200000016 0.2208113000000012 0.2111093500000010 0.2145506199999971 0.4076954900000018 0.5881249099999977 0.2313685299999975 0.3500225399999977 0.4105671399999977 0.1310015899999968 0.4516632099999995 0.6728012100000029 0.6295166299999977 0.5813940800000026 0.4863411299999996 0.6167155600000029 0.6159449299999977 0.2975203199999967 0.6887955400000010 0.6287554499999999 0.6331074799999996 0.3580319900000006 0.4953554000000011 0.3729298599999993 0.3335528699999983 0.5729508800000005 0.4009662200000008 0.3664745800000020 0.5951975099999984 0.5962268600000016 0.3677567000000010 0.3858199599999992 0.5209177899999986 0.3584061999999975 0.4087607900000023 0.6339167100000012 0.4067936799999998 0.4377949499999971 0.5777075600000003 0.4945598400000009 0.5479545099999967 0.4117648300000027 0.4613043900000022 0.4898171600000012 0.3515451600000006 0.4636047999999988 0.4865284099999982 0.4698112600000002 0.4405768499999994 0.6516398500000022 0.5241515900000024 0.4423886399999972 0.6376188699999972 0.3022361299999972 0.2284109000000001 0.5320597700000036 0.6346986200000018 0.2086745499999978 0.5129615999999970 0.4789844299999970 0.1656221300000027 0.3316374400000015 0.6881088499999990 0.2015479900000017 0.4276810300000022 0.7618745099999984 0.2760759800000017 0.3159892700000029 0.5490913699999993 0.1970162900000005 0.2842630399999990 0.5444667599999988 0.2577985699999985 0.3740485399999969 0.3826339100000027 0.2028944099999990 0.3607143600000029 0.3765714299999985 0.1308076400000004 0.4992580600000025 0.6965668499999964 0.1083307399999995 0.4457340100000025 0.6230251400000029 0.5640622800000017 0.3786397200000025 0.2629444800000016 0.6188085799999996 0.3520157999999967 0.2893100599999983 0.6057801199999986 0.2842335899999995 0.4764257200000017 0.5006272400000000 0.4215617899999984 0.4181132800000000 0.5182440099999965 0.4105951599999997 0.5300023799999991 0.5026885199999995 0.3401510999999999 0.4649279400000026 0.4972929099999988 0.1940728800000002 0.2627034799999990 0.4973919400000000 0.2713516000000027 0.2039828300000011 0.4862081500000031 0.2700953599999991 0.3200908100000035 0.5854760699999986 0.1708043200000020 0.3830158100000034 0.5840366199999991 0.2167763599999972 0.1523787499999969 0.6670849599999968 0.4715159699999987 0.5401933699999972 0.6768043100000014 0.4999059100000025 0.3829077999999981 0.6085395899999995 0.6711986400000001 0.6037071200000028 0.6196892500000004 0.5560259499999987 0.6589107900000002 0.5559544600000024 0.6341516700000014 0.4152871300000029 0.6226271199999971 0.7038356899999982 0.4257860700000009 0.6004116800000006 0.5772423100000026 0.2679858099999990 0.6483979899999994 0.6193294400000013 0.2737150600000007 0.7101960700000021 0.5916515500000017 0.6511195400000034 0.7057821499999974 0.6678741599999967 0.6060629099999986 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00