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 0.2241265400000003 0.5252354599999975 0.3406518500000004 0.2761512599999989 0.3950584999999975 0.2919716099999974 0.1459333600000008 0.4539796299999992 0.2419340699999992 0.6405359199999978 0.6429392599999986 0.4720811800000035 0.5473400099999992 0.5847527900000031 0.4882654999999971 0.5861484200000007 0.7774861999999985 0.4717623200000034 0.2779923399999973 0.4882456799999986 0.2988182599999973 0.1775045099999986 0.5337056400000009 0.2597613300000035 0.3687610899999996 0.5376943999999995 0.3742695600000019 0.4553516100000010 0.4723071599999997 0.3679210499999996 0.3831691600000013 0.4190409500000030 0.5006625400000004 0.6010440800000012 0.5789146500000015 0.4293667600000006 0.6342783300000008 0.7284349099999972 0.4264885199999995 0.6271902800000007 0.4230603299999984 0.4201504299999996 0.5619765799999996 0.3225872100000018 0.3500066200000020 0.5570633099999966 0.3683714499999979 0.5454521200000002 0.2906248199999979 0.5210731000000024 0.2009128999999987 0.3174048699999972 0.5090871199999967 0.3702151700000016 0.2019747300000034 0.5598357399999969 0.1655772700000000 0.1420855699999990 0.5947060399999984 0.2867778000000030 0.5930538599999977 0.5856799299999977 0.3194224800000001 0.6176930199999973 0.5019082199999971 0.4478132799999983 0.6295285799999988 0.7163130899999999 0.3164289199999999 0.6815837799999969 0.7696701699999977 0.4422944000000015 0.4021961199999993 0.4729269299999999 0.4156059900000031 0.3545399200000006 0.4581065400000028 0.5856852599999982 0.4679481399999972 0.5557983899999996 0.3611810199999965 0.5814970099999996 0.3719962500000022 0.4388842500000010 0.5925148299999989 0.3872409700000006 0.6318275000000000 0.5969744800000001 0.2599479499999973 0.3125270299999983 0.2125649700000025 0.4966116900000017 0.3991507100000007 0.2320399999999978 0.5760406699999976 0.3648143099999999 0.2651462400000000 0.5414386300000018 0.1702641799999967 0.2709721399999978 0.3719945400000029 0.3577774199999979 0.3078563199999991 0.3759589100000014 0.2652021500000004 0.2493778899999981 0.3779874299999975 0.2472522799999979 0.1194115699999969 0.4602037100000018 0.1919190799999981 0.1303939399999976 0.4363026199999993 0.3041652200000016 0.1683132300000025 0.4141196599999972 0.2183776899999970 0.1834024200000002 0.5827141600000019 0.1222400899999982 0.1137090100000009 0.5822751299999993 0.3129088600000003 0.3851767700000011 0.5570583299999967 0.2843821499999990 0.3686043499999982 0.5963555800000009 0.4362637099999986 0.4821395399999986 0.4248122099999989 0.4245304100000027 0.4596724399999985 0.4486023700000032 0.2717039200000002 0.3520279900000034 0.3701140000000009 0.4597710999999975 0.4234233199999977 0.3859511599999976 0.5386292199999971 0.3229291199999977 0.4746318600000023 0.5739552300000028 0.3708103000000023 0.4887200699999994 0.6292836800000003 0.4969433699999968 0.5652996800000025 0.3295176600000005 0.4660690700000032 0.5780257199999994 0.4219854800000036 0.6324921799999998 0.6418935100000027 0.5439311499999988 0.6745258400000012 0.6238940100000008 0.4602996799999985 0.6055892400000005 0.6269341200000014 0.2928818199999981 0.5460233900000020 0.5785201400000020 0.5621386500000014 0.5340622900000014 0.5388149799999979 0.4567515800000024 0.5282926000000003 0.6300089499999970 0.4672853599999982 0.5854192899999973 0.8278947399999979 0.4423627299999993 0.5881713699999978 0.7832170900000008 0.5446503000000007 0.5540008099999980 0.7536018400000017 0.4566175400000034 0.6373182299999982 0.7537906499999991 0.2784229600000003 0.6816691699999993 0.8041391100000013 0.4875216100000017 0.6383921799999968 0.4190205299999974 0.3235214799999966 0.6662473700000007 0.4036448800000016 0.4754002000000028 0.5202905700000002 0.2906865300000021 0.3829224899999986 0.5538054100000025 0.3656180199999994 0.2707627400000021 0.5202764499999972 0.4180065799999966 0.5537248099999985 0.5396479300000010 0.2990511200000014 0.5568415600000023 0.5986319200000025 0.4359471300000024 0.6472064000000017 0.6195563100000001 0.3581380199999984 0.6457222100000024 0.6216007900000022 0.2710832699999983 0.2683157000000023 0.6064939899999970 0.2220750099999975 0.3537156100000018 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00