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 0.2232811100000021 0.5253623700000034 0.3393321799999995 0.2752574699999997 0.3951913499999975 0.2904594199999977 0.1450559399999989 0.4541465100000011 0.2405731099999997 0.6370020900000029 0.6404322400000027 0.4732422599999992 0.5429842500000035 0.5835086700000005 0.4781593499999985 0.5869608900000003 0.7775699999999972 0.4732075200000025 0.2772619500000033 0.4884026800000001 0.2975148700000005 0.1765936800000034 0.5338758700000028 0.2583430899999968 0.3687506300000010 0.5375021700000033 0.3734856700000009 0.4572663599999984 0.4730848100000031 0.3734877200000000 0.3830745100000001 0.4205293699999970 0.4978063699999993 0.5973836300000031 0.5768820899999980 0.4263153699999975 0.6345554199999981 0.7270396799999972 0.4285915000000031 0.6277182500000009 0.4240284999999986 0.4217627700000008 0.5628426999999974 0.3224680800000002 0.3513834700000018 0.5575889500000031 0.3684908600000014 0.5461326400000033 0.2898413599999969 0.5215761600000022 0.1997179299999985 0.3171508200000019 0.5086764300000013 0.3684851300000034 0.2010883600000000 0.5597010600000019 0.1640505800000014 0.1412367000000003 0.5950143900000029 0.2852071800000004 0.5950290899999970 0.5848268200000035 0.3156731600000029 0.6171018599999982 0.5018066700000006 0.4496728200000035 0.6302235400000029 0.7163314200000030 0.3179975500000012 0.6821629000000016 0.7684631300000007 0.4441769800000017 0.4034439899999995 0.4746141600000016 0.4153982899999988 0.3539190199999993 0.4583296400000023 0.5834114199999973 0.4765945899999977 0.5517467000000025 0.3761955000000015 0.5824157500000027 0.3718406899999991 0.4401933700000029 0.5930449600000003 0.3872633599999986 0.6334784200000030 0.5978630500000008 0.2599282799999969 0.3141787799999989 0.2116803199999993 0.4967576800000018 0.3978201400000003 0.2311161100000021 0.5761873699999995 0.3635198699999975 0.2642862900000011 0.5415814899999987 0.1689926299999982 0.2701069700000005 0.3722462500000034 0.3563452699999985 0.3069870300000019 0.3762048700000022 0.2636841400000023 0.2484873699999994 0.3780913900000016 0.2457685199999986 0.1185403100000002 0.4603150499999984 0.1905276700000016 0.1295283299999994 0.4363842799999986 0.3027561199999980 0.1674711300000027 0.4143457799999979 0.2169535800000020 0.1826163100000002 0.5827770400000034 0.1208298800000023 0.1128737100000023 0.5826593900000034 0.3112995299999994 0.3850545299999979 0.5575608999999986 0.2836516400000022 0.3675464599999998 0.5964467499999984 0.4346346499999996 0.4818679199999991 0.4208691600000023 0.4268691400000009 0.4600259699999967 0.4557214299999970 0.2775569800000000 0.3515506099999968 0.3712888900000024 0.4577642400000030 0.4225202100000018 0.3862166600000023 0.5373031499999996 0.3223008300000032 0.4747522199999992 0.5724620700000003 0.3699375500000031 0.4886590500000025 0.6274157699999989 0.5025686999999976 0.5679349700000031 0.3343455500000019 0.4835772300000016 0.5758051999999978 0.4387043199999994 0.6327426000000003 0.6419726000000026 0.5464103199999997 0.6709943800000033 0.6216849600000032 0.4609149500000029 0.6074478499999998 0.6273034499999994 0.2939691899999985 0.5407414299999971 0.5729999200000009 0.5469967699999998 0.5210397000000029 0.5447732900000020 0.4448510100000007 0.5260434699999976 0.6328395399999991 0.4637733799999992 0.5862090700000024 0.8279805999999965 0.4438471799999988 0.5890217600000014 0.7830634999999972 0.5461605899999995 0.5548920100000032 0.7533766199999974 0.4580285099999983 0.6382654100000025 0.7537383000000020 0.2800889000000026 0.6825065600000002 0.8034987899999990 0.4887944099999970 0.6392660300000017 0.4189286699999997 0.3250912299999982 0.6669021599999994 0.4036094499999976 0.4766314399999985 0.5210711100000012 0.2905760599999994 0.3843143799999993 0.5546707900000030 0.3654705200000024 0.2718608899999992 0.5206242300000028 0.4178496400000000 0.5528150800000020 0.5405185400000008 0.2990971099999982 0.5581906399999994 0.5995022399999996 0.4358767599999993 0.6483889300000030 0.6199640000000031 0.3581308899999982 0.6465356300000025 0.6224944800000003 0.2709594199999970 0.2699133099999997 0.6074223000000032 0.2221328799999966 0.3553921000000031 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00