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
        0.66727629 0.66763386 0.00426638      	#	1      	Pt1
        0.41707743 0.91795410 0.00387884      	#	2      	Pt2
        0.41741130 0.66730388 0.00440373      	#	3      	Pt3
        0.16714198 0.91839457 0.00336619      	#	4      	Pt4
        0.91758848 0.41710425 0.00409277      	#	5      	Pt5
        0.91796200 0.16730752 0.00372140      	#	6      	Pt6
        0.66696081 0.41707992 0.00538858      	#	7      	Pt7
        0.16724914 0.16741291 0.00355596      	#	8      	Pt8
        0.91754347 0.91830620 0.00417114      	#	9      	Pt9
        0.91751732 0.66762680 0.00452502      	#	10     	Pt10
        0.66734068 0.91802095 0.00456267      	#	11     	Pt11
        0.16820338 0.66720747 0.00447413      	#	12     	Pt12
        0.66689734 0.16860343 0.00574762      	#	13     	Pt13
        0.41783820 0.41736484 0.00673837      	#	14     	Pt14
        0.41766526 0.16781854 0.00477507      	#	15     	Pt15
        0.16821538 0.41745508 0.00456163      	#	16     	Pt16
        0.75059697 0.75124083 0.08329327      	#	17     	Pt17
        0.75011104 0.50116535 0.08312659      	#	18     	Pt18
        0.50043679 0.75048360 0.08272021      	#	19     	Pt19
        0.00120169 0.50070341 0.08296996      	#	20     	Pt20
        0.50050911 0.00213499 0.08320840      	#	21     	Pt21
        0.25207512 0.25175070 0.08335981      	#	22     	Pt22
        0.25007222 0.00154672 0.08281193      	#	23     	Pt23
        0.99983633 0.25106544 0.08296646      	#	24     	Pt24
        0.50014541 0.49922439 0.08661226      	#	25     	Pt25
        0.25170659 0.74898986 0.08300168      	#	26     	Pt26
        0.25191708 0.50018849 0.08556468      	#	27     	Pt27
        0.00104769 0.75118815 0.08286920      	#	28     	Pt28
        0.74702702 0.25266059 0.08500755      	#	29     	Pt29
        0.74994855 0.00182346 0.08366148      	#	30     	Pt30
        0.50028737 0.25305130 0.08721703      	#	31     	Pt31
        0.99980317 0.00189562 0.08311094      	#	32     	Pt32
        0.33360722 0.33572808 0.16517865      	#	33     	Pt33
        0.08286674 0.58500410 0.16081320      	#	34     	Pt34
        0.08453309 0.33419474 0.16047443      	#	35     	Pt35
        0.83391967 0.58375269 0.16062320      	#	36     	Pt36
        0.58353770 0.08497835 0.16234483      	#	37     	Pt37
        0.58330720 0.83517704 0.16052853      	#	38     	Pt38
        0.33377492 0.08583456 0.16072620      	#	39     	Pt39
        0.83384206 0.83537813 0.16087364      	#	40     	Pt40
        0.58389502 0.58472605 0.16152114      	#	41     	Pt41
        0.57754676 0.33785755 0.16994257      	#	42     	Pt42
        0.33386303 0.58428722 0.16472757      	#	43     	Pt43
        0.83146328 0.33463837 0.16103509      	#	44     	Pt44
        0.33332232 0.83473979 0.16012730      	#	45     	Pt45
        0.08250840 0.08539682 0.16088734      	#	46     	Pt46
        0.08350896 0.83505564 0.16040439      	#	47     	Pt47
        0.83055951 0.08785017 0.16149528      	#	48     	Pt48
        0.40191660 0.42989103 0.24515154      	#	49     	Pt49
        0.41609167 0.16643768 0.24167861      	#	50     	Pt50
        0.16362273 0.41903002 0.24054274      	#	51     	Pt51
        0.67235800 0.16277934 0.24402364      	#	52     	Pt52
        0.16239159 0.67291210 0.23967207      	#	53     	Pt53
        0.91607342 0.91969580 0.24007634      	#	54     	Pt54
        0.91728505 0.66864920 0.23974229      	#	55     	Pt55
        0.66675301 0.91771659 0.24043437      	#	56     	Pt56
        0.16688088 0.16821167 0.23997582      	#	57     	Pt57
        0.91890735 0.41773890 0.23973280      	#	58     	Pt58
        0.92001735 0.16713314 0.24094896      	#	59     	Pt59
        0.67406298 0.42111567 0.24274259      	#	60     	Pt60
        0.41655233 0.92037338 0.23963678      	#	61     	Pt61
        0.41691630 0.67457900 0.24037219      	#	62     	Pt62
        0.16605085 0.91915446 0.23991193      	#	63     	Pt63
        0.66778173 0.67059253 0.23997173      	#	64     	Pt64
        0.38230486 0.38935679 0.33766625      	#	65     	H65
        0.58492450 0.31127513 0.27751543      	#	66     	H66
        0.34752776 0.48663729 0.32099002      	#	67     	O67
        0.55768499 0.40100955 0.45896008      	#	68     	O68
        0.32886674 0.64012170 0.45684379      	#	69     	O69
        0.40670706 0.49218197 0.44325297      	#	70     	S70