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
        0.85091284 0.87973485 0.09221989      	#	1      	Pt1
        0.39151725 0.55274346 0.15944287      	#	2      	Pt2
        0.71721390 0.85473625 0.41186746      	#	3      	Pt3
        0.57654426 0.71773346 0.18594865      	#	4      	Pt4
        0.29435730 0.56142804 0.28455534      	#	5      	Pt5
        0.42740925 0.84408580 0.27658371      	#	6      	Pt6
        0.31952522 0.13333525 0.48515059      	#	7      	Pt7
        0.72646515 0.55334230 0.03638718      	#	8      	Pt8
        0.09987399 0.07381539 0.70000427      	#	9      	Pt9
        0.53438089 0.00035245 0.26947409      	#	10     	Pt10
        0.92681482 0.27591592 0.22565635      	#	11     	Pt11
        0.18197633 0.77178380 0.49432780      	#	12     	Pt12
        0.52340702 0.94575807 0.83784902      	#	13     	Pt13
        0.50572510 0.26679904 0.30540811      	#	14     	Pt14
        0.56787130 0.40738199 0.24130283      	#	15     	Pt15
        0.69734501 0.09532959 0.34539553      	#	16     	Pt16
        0.50902328 0.38259185 0.17170242      	#	17     	Pt17
        0.31854021 0.47583085 0.08989886      	#	18     	Pt18
        0.77009752 0.37574593 0.59260048      	#	19     	Pt19
        0.95024001 0.44356944 0.33501877      	#	20     	Pt20
        0.38996641 0.23083615 0.85819454      	#	21     	Pt21
        0.69853093 0.45136248 0.25264110      	#	22     	Pt22
        0.89032532 0.90502620 0.82837483      	#	23     	Pt23
        0.59681680 0.11792178 0.51179249      	#	24     	Pt24
        0.99784741 0.53484250 0.84871584      	#	25     	Pt25
        0.94484661 0.31947663 0.34986058      	#	26     	Pt26
        0.88329594 0.53380798 0.81587337      	#	27     	Pt27
        0.13990028 0.86393749 0.02262989      	#	28     	Pt28
        0.93888580 0.50998173 0.41032069      	#	29     	Pt29
        0.48572009 0.22999888 0.19737555      	#	30     	Pt30
        0.70443096 0.65454649 0.39856511      	#	31     	Pt31
        0.38236700 0.63316085 0.85655102      	#	32     	Pt32
        0.80461246 0.81167032 0.01874008      	#	33     	Pt33
        0.24873152 0.03639911 0.52702886      	#	34     	Pt34
        0.54197221 0.69706957 0.25246535      	#	35     	Pt35
        0.17040704 0.63933322 0.51135568      	#	36     	Pt36
        0.90929131 0.14803622 0.47233799      	#	37     	Pt37
        0.06482057 0.56289363 0.55132826      	#	38     	Pt38
        0.69602775 0.27044769 0.73199988      	#	39     	Pt39
        0.48026604 0.09276841 0.88735291      	#	40     	Pt40
        0.85917038 0.84868985 0.33213503      	#	41     	Pt41
        0.98973140 0.87369553 0.08696014      	#	42     	Pt42
        0.97093674 0.70183776 0.41107479      	#	43     	Pt43
        0.01370666 0.35381991 0.85653115      	#	44     	Pt44
        0.39526857 0.37958808 0.73036419      	#	45     	Pt45
        0.21666150 0.70190779 0.85604954      	#	46     	Pt46
        0.77589675 0.46074909 0.99383106      	#	47     	Pt47
        0.92593802 0.73616434 0.15939835      	#	48     	Pt48
        0.17510202 0.92685092 0.77956782      	#	49     	Pt49
        0.26851951 0.00583257 0.07645035      	#	50     	Pt50
        0.59296131 0.65669346 0.15013171      	#	51     	Pt51
        0.78533560 0.47563347 0.04239343      	#	52     	Pt52
        0.11808109 0.86221349 0.30200909      	#	53     	Pt53
        0.49605748 0.49910867 0.49503667      	#	54     	Pt54
        0.50644075 0.68063556 0.96295106      	#	55     	Pt55
        0.16196114 0.50578649 0.74447986      	#	56     	Pt56
        0.92651664 0.15581522 0.99750796      	#	57     	Pt57
        0.82304978 0.83164215 0.26020652      	#	58     	Pt58
        0.17138576 0.95154778 0.77039939      	#	59     	Pt59
        0.97618693 0.32198844 0.70336269      	#	60     	Pt60
        0.35592873 0.48635507 0.32612518      	#	61     	Pt61
        0.03625471 0.66670521 0.34729797      	#	62     	Pt62
        0.14005746 0.58884263 0.47641866      	#	63     	Pt63
        0.32720587 0.89539233 0.79251522      	#	64     	Pt64
        0.15087338 0.18705693 0.07082325      	#	65     	H65
        0.87385346 0.95242605 0.23439600      	#	66     	H66
        0.11453977 0.13977089 0.13759719      	#	67     	O67
        0.09881065 0.91789215 0.03710933      	#	68     	O68
        0.85467838 0.30922938 0.04806193      	#	69     	O69
        0.46068719 0.53577927 0.59720063      	#	70     	S70