No title
    1.0
            10.41600000 0.00000000 0.00000000 
            0.00000000 10.41600000 0.00000000 
            0.00000000 0.00000000 10.41600000 
  O C Si B H
  44 4 21 3 11
Direct
        0.31449020 0.60179512 0.18712785      	#	1      	O1
        0.33207731 0.41416755 0.81104528      	#	2      	O2
        0.66908171 0.40161701 0.18815819      	#	3      	O4
        0.60110475 0.81127238 0.68824487      	#	4      	O6
        0.39155942 0.81973642 0.31634220      	#	5      	O8
        0.19384028 0.33564340 0.59993101      	#	6      	O9
        0.81491035 0.30669273 0.40200290      	#	7      	O11
        0.81053920 0.67257865 0.60299621      	#	8      	O12
        0.82941087 0.28583382 0.92133637      	#	9      	O13
        0.81151903 0.70296766 0.10092449      	#	10     	O14
        0.16935913 0.29455721 0.07310345      	#	11     	O15
        0.18122633 0.72790102 0.92586190      	#	12     	O16
        0.30411234 0.91351886 0.83506224      	#	13     	O17
        0.29010536 0.08602314 0.17060132      	#	14     	O18
        0.70640447 0.91194261 0.21006568      	#	15     	O19
        0.71830914 0.09070981 0.84022844      	#	16     	O20
        0.90856378 0.81422892 0.31982369      	#	17     	O
        0.93119410 0.17200646 0.71057869      	#	18     	O22
        0.09834714 0.82914920 0.69827179      	#	19     	O23
        0.06596393 0.16863168 0.27746466      	#	20     	O24
        0.94506392 0.65554530 0.83017678      	#	21     	O25
        0.92670991 0.36105554 0.16912702      	#	22     	O26
        0.05549414 0.64255096 0.18634321      	#	23     	O27
        0.07424431 0.35563834 0.83391487      	#	24     	O28
        0.63897824 0.83813323 0.95331874      	#	25     	O29
        0.65771570 0.17704455 0.04837766      	#	26     	O30
        0.34685766 0.83384360 0.05581773      	#	27     	O31
        0.34904336 0.17484393 0.92089054      	#	28     	O32
        0.83013727 0.92907732 0.65966418      	#	29     	O33
        0.82777207 0.03543001 0.37502367      	#	30     	O3
        0.16004080 0.93283731 0.35318086      	#	31     	O35
        0.18622955 0.07754387 0.66052717      	#	32     	O36
        0.86945685 0.43260271 0.69989714      	#	33     	O37
        0.83953437 0.55768378 0.31836295      	#	34     	O38
        0.14962770 0.42138538 0.29646467      	#	35     	O39
        0.15984046 0.57537531 0.70954593      	#	36     	O40
        0.42849895 0.69725862 0.85501008      	#	37     	O41
        0.43082691 0.30856989 0.12270480      	#	38     	O42
        0.55403309 0.69933192 0.15311084      	#	39     	O43
        0.56934949 0.32649651 0.85819842      	#	40     	O44
        0.69543018 0.84649875 0.44070349      	#	41     	O45
        0.70709111 0.14858337 0.58445518      	#	42     	O46
        0.31962324 0.87864706 0.56548768      	#	43     	O47
        0.28105586 0.15701205 0.42302259      	#	44     	O48
        0.67687649 0.58404099 0.83225132      	#	45     	C5
        0.59563119 0.17682519 0.31879729      	#	46     	C6
        0.43385070 0.20266003 0.65190344      	#	47     	C2
        0.19126916 0.66196899 0.43268577      	#	48     	C4
        0.26867106 0.19175644 0.57942586      	#	49     	Si1
        0.26887044 0.82542403 0.42104245      	#	50     	Si2
        0.74035621 0.16011931 0.42776420      	#	51     	Si3
        0.73373659 0.81576049 0.59276052      	#	52     	Si4
        0.17897467 0.57833528 0.27242549      	#	53     	Si5
        0.18651954 0.42029422 0.73794126      	#	54     	Si6
        0.83054177 0.58530476 0.73863919      	#	55     	Si7
        0.80898293 0.40537124 0.27220120      	#	56     	Si8
        0.58085327 0.26378252 0.16122578      	#	57     	Si9
        0.58688935 0.74055786 0.83387014      	#	58     	Si10
        0.42143310 0.27532412 0.81588485      	#	59     	Si11
        0.39984889 0.73958111 0.17510500      	#	60     	Si12
        0.79812441 0.08065039 0.70000534      	#	61     	Si14
        0.22878348 0.92579762 0.69297099      	#	62     	Si15
        0.20004261 0.08343489 0.30559046      	#	63     	Si16
        0.92517702 0.31135482 0.79249825      	#	64     	Si17
        0.90493860 0.67490960 0.22817714      	#	65     	Si18
        0.07507170 0.31232003 0.20320702      	#	66     	Si19
        0.09473793 0.69845017 0.79379537      	#	67     	Si20
        0.30872812 0.21307584 0.07177911      	#	68     	Si22
        0.67630263 0.79452240 0.10536459      	#	69     	Si23
        0.76661271 0.91329150 0.33818681      	#	70     	B3
        0.29058130 0.81381425 0.93198261      	#	71     	B
        0.73054286 0.18990826 0.93396689      	#	72     	B2
        0.69596261 0.54590048 0.93241200      	#	73     	H1
        0.69464689 0.18091906 0.26185640      	#	74     	H3
        0.49745331 0.26797627 0.59282547      	#	75     	H6
        0.25643388 0.60194945 0.49585504      	#	76     	H10
        0.61545530 0.51371370 0.77663980      	#	77     	H7
        0.58432861 0.27834555 0.36319736      	#	78     	H16
        0.48063532 0.10473749 0.65475867      	#	79     	H25
        0.09488595 0.66539762 0.48265110      	#	80     	H35
        0.40418452 0.60386096 0.84399817      	#	81     	H9
        0.57458726 0.39844019 0.92194043      	#	82     	H11
        0.99257921 0.86494212 0.32846061      	#	83     	H12