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 0.2180810500000021 0.5263272700000030 0.3309411999999980 0.2700753199999966 0.3961710900000028 0.2820599799999997 0.1398776899999987 0.4551061499999989 0.2321951699999971 0.6421656899999988 0.6394811500000017 0.4816422399999993 0.5471611099999976 0.5821090100000035 0.4854606600000011 0.5921542000000031 0.7766114200000018 0.4816270700000018 0.2720569199999971 0.4893606400000010 0.2891666299999969 0.1714125900000028 0.5348420199999993 0.2499380100000010 0.3635213499999992 0.5384605300000018 0.3651486700000035 0.4518733499999996 0.4736429200000032 0.3650038199999983 0.3777522299999987 0.4215605999999994 0.4898850399999972 0.6028538999999995 0.5757818000000015 0.4344890899999996 0.6397616900000003 0.7261420900000033 0.4369650200000024 0.6328201299999989 0.4228965900000006 0.4301647200000005 0.5681864499999989 0.3212503100000035 0.3597486199999977 0.5626621899999975 0.3675140200000016 0.5540481399999990 0.2846452300000024 0.5224699999999984 0.1913170500000021 0.3120301800000007 0.5096755499999972 0.3600505799999993 0.1959112600000026 0.5606857599999984 0.1556564799999975 0.1360677999999993 0.5959121300000021 0.2768547599999991 0.6001002900000003 0.5839224099999996 0.3241712499999991 0.6222745800000027 0.5010495900000009 0.4581154199999986 0.6353798800000021 0.7153551299999990 0.3263961199999983 0.6873084899999995 0.7675029800000033 0.4525640299999978 0.3983073400000023 0.4756148399999987 0.4067715500000020 0.3487514099999984 0.4591895800000003 0.5749720700000012 0.4723222800000002 0.5535631099999989 0.3690671700000010 0.5876315499999976 0.3710102300000031 0.4487789499999977 0.5982313299999973 0.3863276200000030 0.6418081799999982 0.6029864899999993 0.2589676500000024 0.3224946899999992 0.2065068300000021 0.4977103299999968 0.3894049700000011 0.2259501300000011 0.5771408499999993 0.3551092499999982 0.2591116799999966 0.5425386399999965 0.1605770199999981 0.2649283399999973 0.3731872099999975 0.3479224000000016 0.3018046799999965 0.3771333899999973 0.2553129300000023 0.2433103899999978 0.3790479000000033 0.2373932300000021 0.1133615000000034 0.4612794499999993 0.1821346600000027 0.1243429299999974 0.4373425499999968 0.2943763899999965 0.1622922800000026 0.4152953099999976 0.2085676499999991 0.1774267600000030 0.5837341399999971 0.1124416199999985 0.1076932400000032 0.5835958899999980 0.3029213200000029 0.3798869299999978 0.5585175900000010 0.2753007999999966 0.3623787900000011 0.5973650299999989 0.4261956699999985 0.4767450900000014 0.4219251900000032 0.4184685900000034 0.4548512200000019 0.4566436499999966 0.2691209999999984 0.3463963399999983 0.3722602300000020 0.4493050800000020 0.4173499400000011 0.3871737199999998 0.5288349400000030 0.3171521100000021 0.4757064599999978 0.5640505499999975 0.3647299100000012 0.4895906200000013 0.6189436200000031 0.4973202400000005 0.5687570199999996 0.3261994100000010 0.4785625700000011 0.5762914600000002 0.4293399299999976 0.6379396700000015 0.6410254099999975 0.5547852300000002 0.6761793299999965 0.6207457699999992 0.4693001799999976 0.6126297799999989 0.6263496899999978 0.3023589700000002 0.5459749799999969 0.5720556500000029 0.5559309200000015 0.5261251800000011 0.5444078299999973 0.4534683700000031 0.5313158200000032 0.6317190999999980 0.4722889100000032 0.5913883699999971 0.8270226300000019 0.4522286899999983 0.5941997799999967 0.7821204999999978 0.5545685399999982 0.5600691400000031 0.7524480299999965 0.4664215299999981 0.6434479199999998 0.7527842000000007 0.2884695600000029 0.6876915100000005 0.8025478899999996 0.4971728800000008 0.6444529299999999 0.4180122900000001 0.3334882199999996 0.6720992899999985 0.4027050999999986 0.4850535500000035 0.5262554399999999 0.2896757800000032 0.3927269499999966 0.5598426299999986 0.3645436099999984 0.2802725900000027 0.5257777200000007 0.4169258599999992 0.5613008400000012 0.5457097399999995 0.2981154000000004 0.5666604999999976 0.6046924400000009 0.4349714499999990 0.6568399700000001 0.6252054999999999 0.3571354099999979 0.6549945100000016 0.6276413300000030 0.2700171600000019 0.2783388000000002 0.6125735000000034 0.2212333299999969 0.3637149999999991 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00