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 0.2218775199999996 0.5256319300000030 0.3370164999999972 0.2738966499999975 0.3953541300000012 0.2884056999999984 0.1437191699999971 0.4544515999999987 0.2383067499999996 0.6430800099999985 0.6419477499999999 0.4757420500000009 0.5505071999999984 0.5845526299999975 0.4939571900000033 0.5884527600000027 0.7770853800000026 0.4753046900000015 0.2756209400000031 0.4885385199999988 0.2950852399999988 0.1752813800000013 0.5341402900000034 0.2560963999999970 0.3666248400000001 0.5378885399999973 0.3706112899999994 0.4519854400000014 0.4709130800000025 0.3615129699999997 0.3809913799999975 0.4200675299999972 0.4967029100000033 0.6037431199999972 0.5784195000000025 0.4334847900000014 0.6368225900000013 0.7278595100000018 0.4302008200000031 0.6294672900000009 0.4231800700000008 0.4243732400000013 0.5643068199999988 0.3220863800000018 0.3539698800000011 0.5591745500000016 0.3680466899999999 0.5491258500000029 0.2883080599999985 0.5212071500000022 0.1970825800000000 0.3149800099999993 0.5098046299999979 0.3667008299999992 0.1997654800000035 0.5604413399999970 0.1619517500000001 0.1398511700000000 0.5949839399999988 0.2834221800000023 0.5948248300000003 0.5858198800000025 0.3244514399999971 0.6206083300000031 0.5014005499999996 0.4516029899999978 0.6320132000000029 0.7159750000000003 0.3200550199999981 0.6840245899999999 0.7698477400000030 0.4455434099999991 0.4001076099999992 0.4730729400000016 0.4113011900000032 0.3522807900000018 0.4582320600000003 0.5821572099999983 0.4635041599999994 0.5572297200000023 0.3541554500000004 0.5837328300000024 0.3714364599999982 0.4422411500000010 0.5947721100000010 0.3867432600000029 0.6352659000000003 0.5989844099999999 0.2594142800000014 0.3159038399999972 0.2103176199999979 0.4970416299999982 0.3955436199999980 0.2298796199999984 0.5764506599999990 0.3611096200000006 0.2629483799999974 0.5418312299999997 0.1665378000000004 0.2686842199999973 0.3722839200000010 0.3541440199999997 0.3055857299999971 0.3762648100000021 0.2616331899999977 0.2471184300000004 0.3784099900000015 0.2436390900000021 0.1171865399999987 0.4607128900000035 0.1883077999999969 0.1281388299999975 0.4368199999999973 0.3005469399999967 0.1660189099999982 0.4144749399999981 0.2147781500000008 0.1811294199999978 0.5831058099999993 0.1186960599999978 0.1115029699999965 0.5825185200000007 0.3093084300000015 0.3828701500000022 0.5575467099999969 0.2807387000000006 0.3663833299999979 0.5967099599999983 0.4325902699999986 0.4801771500000029 0.4264133400000034 0.4201462999999990 0.4567932300000024 0.4476831300000015 0.2681949299999999 0.3496049199999973 0.3702192399999973 0.4562607800000009 0.4212052399999990 0.3864362300000010 0.5349717599999977 0.3207559299999971 0.4752150300000011 0.5704588400000006 0.3683300200000019 0.4891611400000002 0.6255503200000021 0.4950559999999982 0.5654638500000004 0.3247874799999977 0.4616482599999969 0.5795845399999990 0.4154477299999968 0.6353817899999967 0.6418245500000026 0.5477574000000018 0.6775074999999973 0.6243376799999965 0.4645047400000024 0.6074903900000024 0.6260457500000030 0.2971456799999999 0.5498802899999973 0.5793832000000023 0.5673238700000027 0.5369611400000025 0.5377317900000023 0.4640325499999989 0.5311428899999981 0.6281842100000006 0.4726117200000033 0.5876480100000023 0.8275605500000012 0.4458821099999994 0.5904412399999970 0.7828408600000003 0.5482037700000006 0.5562799799999993 0.7531863800000025 0.4601436800000016 0.6395419899999979 0.7534258000000023 0.2817283099999983 0.6840091400000006 0.8041107100000033 0.4912869500000028 0.6406489600000000 0.4184711500000020 0.3269460599999974 0.6686208599999972 0.4029843400000033 0.4791447799999986 0.5224140600000027 0.2902288299999967 0.3867372400000022 0.5559844200000015 0.3653335600000034 0.2742306900000031 0.5223858199999967 0.4175582800000015 0.5574530700000011 0.5418572999999967 0.2984948699999990 0.5605020400000029 0.6007628600000032 0.4354895399999990 0.6508240100000009 0.6217388700000015 0.3577401800000004 0.6492776899999981 0.6236983399999971 0.2706288099999981 0.2719764100000006 0.6086378800000034 0.2216218800000007 0.3569723199999970 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00