No title 1.00000000000000 7.6631000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 25.3262000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.8372600000000006 Si O H N F 42 16 15 1 6 Direct 0.8486409300000020 0.3073264499999979 0.0630614399999985 0.8491948300000018 0.3851797199999965 0.4445518500000034 0.0985675700000002 0.3071465000000018 0.1926685800000030 0.0986866800000001 0.3832992299999987 0.3176827500000030 0.8571015799999984 0.5416069899999982 0.4365448300000025 0.1029233599999984 0.5373416899999981 0.3069222199999970 0.8476062499999983 0.4586386000000005 0.0662011300000032 0.8450789199999988 0.2294880000000035 0.4419863700000022 0.0992603099999982 0.4584191200000021 0.1921002999999999 0.0949363599999984 0.2287305500000016 0.3140806600000019 0.3284246799999977 0.6574097399999985 0.5226309800000024 0.8489943399999973 0.3078183200000026 0.5647680699999995 0.8492275899999981 0.3839717600000014 0.9391591099999985 0.0987642899999983 0.3084824700000013 0.6939676800000001 0.0997391800000003 0.3866604899999970 0.8125682200000028 0.8485801200000012 0.5370535799999985 0.9490337200000027 0.0989336199999968 0.5418831799999992 0.8245533699999967 0.8504987299999982 0.4640157899999977 0.5618613500000009 0.8451241300000021 0.2287015400000030 0.9424909000000028 0.0993927999999968 0.4646175999999969 0.6909949200000014 0.0952059199999979 0.2296890300000030 0.8150419500000012 0.3486454600000002 0.3073193800000027 0.0631394299999997 0.3493401599999970 0.3847854899999987 0.4438237500000000 0.5987063999999975 0.3074450100000021 0.1926655299999993 0.5996920799999970 0.3835711899999978 0.3179365000000018 0.3531073699999965 0.5393617000000006 0.4328403100000031 0.6066436899999985 0.5390602399999977 0.3096837300000033 0.3517991599999988 0.4585749000000021 0.0675155699999976 0.3450056000000004 0.2292329699999982 0.4417937199999997 0.6007803400000000 0.4594970799999984 0.1958636100000035 0.5950900200000007 0.2289602900000034 0.3141281799999973 0.3484255199999993 0.3075541700000031 0.5647222699999972 0.3499592200000023 0.3840431400000028 0.9396180600000008 0.5987127699999988 0.3080623099999968 0.6932501000000002 0.5995256400000031 0.3860540700000001 0.8121960499999972 0.3501593700000001 0.5367624900000010 0.9504970400000019 0.5978280200000015 0.5399193699999998 0.8243495099999976 0.3503757800000002 0.4632161099999976 0.5630560000000031 0.3451069099999984 0.2286997000000000 0.9426237099999994 0.6006947300000007 0.4644982200000030 0.6914753900000008 0.5950522500000019 0.2294490999999965 0.8149879999999996 0.6058637499999975 0.6598699099999976 0.7412627100000009 0.3547802900000008 0.5939582700000017 0.5196395800000033 0.1120014199999986 0.5897297100000003 0.2111076300000008 0.3340456999999972 0.1778963100000013 0.5409616299999982 0.0837611500000008 0.1770315600000032 0.2159244300000012 0.3626834100000025 0.5890068699999986 0.0463834999999975 0.1281215799999984 0.6005889699999969 0.7625762999999992 0.3339009800000028 0.1771234500000034 0.0411184900000023 0.0841033199999970 0.1789053099999975 0.7143481800000018 0.8555155299999981 0.5938992199999973 0.5291256100000012 0.6140572500000019 0.5904517700000014 0.2111316800000012 0.8338790299999985 0.1782188000000033 0.5413265800000033 0.5841114899999980 0.1772943100000006 0.2158604099999977 0.8623282000000003 0.5896431399999997 0.0440696900000006 0.5913619399999988 0.5958615300000005 0.7424995499999980 0.8340158500000001 0.1771500400000008 0.0410394499999995 0.5839279799999986 0.1785661700000034 0.7145821800000007 0.0125496300000023 0.5935903499999995 0.1507291499999965 0.9331781100000001 0.1749363599999967 0.6014792699999987 0.1828670499999987 0.1735270100000008 0.1558368600000009 0.2625803399999995 0.5935690900000026 0.1058913700000019 0.0496740700000018 0.6244829199999984 0.7221057300000027 0.9330532500000004 0.1736542700000001 0.1012040600000006 0.1836191599999992 0.1753277899999972 0.6544803999999971 0.9456149000000025 0.6209773400000032 0.5243872599999975 0.5138858899999974 0.5940132100000000 0.1509048500000034 0.4331886000000011 0.1745500099999973 0.6011822999999978 0.6831229000000008 0.1737487799999968 0.1556983999999986 0.7631280100000026 0.5936625000000006 0.1044790799999973 0.4330096899999987 0.1736657000000008 0.1012121899999983 0.6833642499999968 0.1751632100000009 0.6545700100000005 0.4377986800000002 0.7479573800000026 0.6503427099999968 0.4736288200000018 0.6856828399999984 0.6235884099999964 0.8048069199999972 0.6773829500000019 0.7200220499999972 0.3419359999999969 0.6778697600000001 0.3836699100000018 0.5489242100000027 0.6809577300000029 0.8751194499999997 0.1258481599999968 0.6683125899999993 0.5658041599999990 0.4254631900000021 0.7891504299999994 0.6723785800000002 0.5768092699999983 0.7235094600000025 0.5171706599999979 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00