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 0.8486086300000011 0.3073126600000009 0.0631558199999986 0.8491532000000035 0.3851618099999996 0.4444011699999990 0.0985638200000025 0.3071174800000023 0.1926132999999979 0.0986028200000035 0.3833063100000018 0.3177885500000031 0.8565493700000033 0.5413964999999976 0.4364183699999984 0.1029868199999981 0.5373927600000030 0.3072457700000015 0.8478229799999966 0.4586012099999976 0.0662285900000015 0.8451145399999973 0.2294782700000013 0.4420241300000001 0.0993429800000030 0.4584437800000032 0.1918332600000028 0.0949425700000006 0.2287098400000005 0.3140507600000007 0.3228373000000033 0.6569887599999973 0.5207035800000028 0.8490090399999985 0.3077949700000033 0.5648516700000030 0.8492234100000005 0.3839502000000010 0.9390576099999990 0.0987751099999983 0.3084097699999973 0.6938730800000030 0.0996708500000025 0.3865397300000026 0.8128556799999984 0.8481597500000007 0.5372200700000036 0.9486616699999999 0.0991655899999984 0.5429190199999994 0.8238842599999998 0.8503994900000009 0.4639942200000036 0.5620608600000025 0.8451521400000033 0.2286846900000015 0.9425093099999984 0.0991200799999987 0.4648245699999975 0.6913300000000007 0.0952275900000004 0.2296473500000005 0.8150021800000005 0.3486746399999987 0.3073001799999986 0.0632160600000020 0.3493055200000015 0.3848762300000033 0.4436851600000011 0.5986939900000010 0.3074270799999965 0.1926733299999981 0.5997230899999977 0.3834830600000032 0.3182077199999966 0.3538947500000020 0.5396748400000035 0.4328437300000019 0.6067287500000020 0.5388055000000023 0.3094136500000033 0.3516535799999971 0.4586129999999997 0.0675295400000024 0.3450267099999991 0.2292402699999982 0.4418259899999981 0.6007802499999997 0.4592729199999965 0.1951116700000028 0.5951235300000022 0.2289565000000024 0.3140921199999980 0.3484432500000025 0.3075611699999996 0.5647756899999976 0.3499040600000001 0.3840532600000017 0.9395854200000002 0.5987322699999993 0.3080486500000035 0.6931880200000009 0.5994889099999980 0.3860597299999995 0.8123553599999980 0.3489182300000024 0.5367593499999970 0.9503187500000010 0.5969502800000015 0.5398414799999998 0.8246855800000006 0.3501766600000025 0.4634334499999966 0.5634360600000008 0.3451237000000020 0.2286812600000019 0.9426599700000011 0.6007153199999991 0.4645644300000029 0.6915914900000004 0.5950732000000016 0.2294225999999995 0.8149528900000007 0.6078062500000030 0.6597557199999997 0.7405066600000012 0.3580718700000034 0.5947318799999977 0.5177483300000034 0.1118963899999983 0.5898084499999996 0.2114497700000015 0.3340568400000024 0.1779034799999977 0.5409444100000016 0.0837429799999967 0.1770055400000032 0.2159411399999982 0.3632217299999994 0.5889421299999995 0.0462485999999984 0.1343178500000022 0.6007793300000017 0.7621189799999968 0.3338759700000011 0.1770915000000031 0.0410873499999980 0.0840792500000020 0.1788527300000027 0.7143761900000030 0.8540393500000008 0.5938488299999989 0.5290133999999966 0.6135351599999979 0.5905442899999969 0.2120436499999983 0.8338780099999994 0.1782048900000035 0.5413110799999998 0.5840936700000015 0.1772779400000033 0.2159015299999965 0.8622691799999984 0.5896199399999986 0.0440317799999974 0.5911779899999985 0.5962288300000012 0.7427348699999996 0.8339908399999985 0.1771281299999998 0.0410112599999977 0.5839182899999997 0.1785281800000007 0.7146064100000018 0.0124319000000028 0.5934838299999967 0.1507476399999987 0.9331990200000035 0.1749447400000008 0.6014839899999984 0.1828774700000011 0.1735313200000022 0.1558303400000014 0.2626548799999995 0.5935064900000029 0.1056372099999976 0.0447901699999989 0.6229178399999995 0.7244588900000011 0.9330616700000007 0.1736509200000000 0.1011934799999992 0.1836229999999972 0.1753160199999968 0.6544799300000008 0.9448828900000024 0.6209817700000002 0.5227150799999976 0.5137171599999988 0.5938456200000033 0.1511678600000010 0.4332357600000023 0.1745687499999988 0.6011780999999985 0.6831222699999984 0.1737536199999994 0.1557116600000015 0.7629751400000018 0.5937137800000016 0.1044527600000009 0.4330020399999981 0.1736671800000025 0.1012184200000021 0.6833865799999970 0.1751533400000014 0.6545719599999984 0.4331877400000010 0.7526719800000023 0.6542686499999988 0.4790339899999978 0.6861554999999981 0.6185074400000019 0.8049128500000009 0.6775697500000035 0.7198748100000003 0.3433958600000011 0.6767956400000017 0.3841322899999966 0.5490677700000006 0.6810222800000005 0.8721760800000027 0.1243682599999971 0.6690926099999999 0.5652408199999996 0.4229747899999978 0.7871606000000000 0.6748050400000025 0.5826110599999978 0.7207100099999977 0.5226255999999978 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00