No title
    1.0
            11.08690000 0.00000000 0.00000000 
            5.54345000 9.60153705 0.00000000 
            0.00000000 0.00000000 29.05240000 
  Pt H O S
  64 2 3 1
Direct
        0.00947379 0.35595200 0.43764449      	#	1      	Pt1
        0.34226877 0.14685243 0.16921416      	#	2      	Pt2
        0.81017467 0.37981840 0.09290218      	#	3      	Pt3
        0.84871441 0.79218475 0.61588130      	#	4      	Pt4
        0.23008012 0.13840962 0.39842057      	#	5      	Pt5
        0.44346349 0.00130883 0.23444175      	#	6      	Pt6
        0.30055986 0.81660205 0.77457235      	#	7      	Pt7
        0.40578785 0.74704508 0.93782379      	#	8      	Pt8
        0.34162511 0.50054736 0.88024559      	#	9      	Pt9
        0.68953981 0.98975192 0.70140511      	#	10     	Pt10
        0.33819951 0.22716417 0.08925457      	#	11     	Pt11
        0.74848492 0.03760269 0.35608478      	#	12     	Pt12
        0.63232961 0.89130300 0.18763492      	#	13     	Pt13
        0.77557123 0.29284332 0.65927154      	#	14     	Pt14
        0.96376890 0.87071201 0.86780166      	#	15     	Pt15
        0.50031813 0.08412374 0.97981949      	#	16     	Pt16
        0.52003257 0.10454490 0.81422320      	#	17     	Pt17
        0.35495378 0.80023700 0.71938228      	#	18     	Pt18
        0.48269151 0.25412412 0.66189229      	#	19     	Pt19
        0.11626462 0.29820795 0.89814744      	#	20     	Pt20
        0.12814356 0.70217908 0.23388564      	#	21     	Pt21
        0.83545514 0.65913174 0.53340760      	#	22     	Pt22
        0.43596426 0.51728587 0.04146169      	#	23     	Pt23
        0.64498330 0.96895830 0.10089848      	#	24     	Pt24
        0.67884308 0.19249272 0.50083981      	#	25     	Pt25
        0.73918462 0.90780830 0.93928987      	#	26     	Pt26
        0.94715863 0.18902053 0.81313839      	#	27     	Pt27
        0.87911954 0.67323260 0.26419148      	#	28     	Pt28
        0.26669084 0.96522061 0.53233856      	#	29     	Pt29
        0.43439177 0.23341608 0.04811224      	#	30     	Pt30
        0.63304888 0.72801249 0.93505342      	#	31     	Pt31
        0.37661987 0.32976841 0.77318581      	#	32     	Pt32
        0.96848002 0.37934793 0.28456306      	#	33     	Pt33
        0.47521860 0.69801188 0.74674194      	#	34     	Pt34
        0.20896634 0.36722955 0.11958131      	#	35     	Pt35
        0.68396108 0.11082009 0.43369274      	#	36     	Pt36
        0.26767976 0.80043724 0.76071943      	#	37     	Pt37
        0.96141880 0.91470812 0.10017237      	#	38     	Pt38
        0.68903504 0.23170160 0.19078380      	#	39     	Pt39
        0.02132236 0.63226106 0.65074473      	#	40     	Pt40
        0.49770743 0.41238926 0.05491361      	#	41     	Pt41
        0.32633787 0.71095616 0.30283082      	#	42     	Pt42
        0.63049855 0.14257946 0.96065707      	#	43     	Pt43
        0.81419529 0.57220188 0.31081117      	#	44     	Pt44
        0.95217373 0.20973098 0.97633065      	#	45     	Pt45
        0.77478136 0.83411760 0.12253123      	#	46     	Pt46
        0.95320162 0.78810243 0.96807548      	#	47     	Pt47
        0.14315026 0.10369931 0.67137442      	#	48     	Pt48
        0.22801323 0.97746003 0.73698976      	#	49     	Pt49
        0.80349131 0.76256793 0.66836869      	#	50     	Pt50
        0.16239327 0.28311082 0.52107692      	#	51     	Pt51
        0.72734731 0.56951124 0.01534823      	#	52     	Pt52
        0.26541557 0.59671876 0.54800296      	#	53     	Pt53
        0.36434457 0.92730183 0.68442781      	#	54     	Pt54
        0.64934745 0.99433587 0.32381978      	#	55     	Pt55
        0.89847243 0.50777930 0.92854007      	#	56     	Pt56
        0.10057172 0.24375882 0.24826505      	#	57     	Pt57
        0.35461683 0.69672384 0.51913457      	#	58     	Pt58
        0.67977136 0.90075075 0.49994677      	#	59     	Pt59
        0.78926248 0.38647795 0.36374389      	#	60     	Pt60
        0.42619904 0.58520985 0.86678578      	#	61     	Pt61
        0.32288478 0.63103810 0.30133957      	#	62     	Pt62
        0.79685517 0.02626848 0.89525118      	#	63     	Pt63
        0.51918290 0.13970153 0.99186108      	#	64     	Pt64
        0.73521492 0.39041316 0.21757774      	#	65     	H65
        0.43656396 0.21749815 0.05036058      	#	66     	H66
        0.69204374 0.82003972 0.09035427      	#	67     	O67
        0.41644938 0.89341146 0.08485521      	#	68     	O68
        0.62498428 0.40519213 0.37725248      	#	69     	O69
        0.91033323 0.95367871 0.37284061      	#	70     	S70