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 4 4 1
Direct
        0.66367438 0.67185254 0.00344466      	#	1      	Pt1
        0.41367438 0.92185254 0.00344466      	#	2      	Pt2
        0.41367438 0.67185254 0.00344466      	#	3      	Pt3
        0.16367438 0.92185254 0.00344466      	#	4      	Pt4
        0.91367438 0.42185254 0.00344466      	#	5      	Pt5
        0.91367438 0.17185254 0.00344466      	#	6      	Pt6
        0.66367438 0.42185254 0.00344466      	#	7      	Pt7
        0.16367438 0.17185254 0.00344466      	#	8      	Pt8
        0.91367438 0.92185254 0.00344466      	#	9      	Pt9
        0.91367438 0.67185254 0.00344466      	#	10     	Pt10
        0.66367438 0.92185254 0.00344466      	#	11     	Pt11
        0.16367438 0.67185254 0.00344466      	#	12     	Pt12
        0.66367438 0.17185254 0.00344466      	#	13     	Pt13
        0.41367438 0.42185254 0.00344466      	#	14     	Pt14
        0.41367438 0.17185254 0.00344466      	#	15     	Pt15
        0.16367438 0.42185254 0.00344466      	#	16     	Pt16
        0.74700438 0.75518254 0.08134026      	#	17     	Pt17
        0.74700438 0.50518254 0.08134026      	#	18     	Pt18
        0.49700438 0.75518254 0.08134026      	#	19     	Pt19
        0.99700438 0.50518254 0.08134026      	#	20     	Pt20
        0.49700438 0.00518254 0.08134026      	#	21     	Pt21
        0.24700438 0.25518254 0.08134026      	#	22     	Pt22
        0.24700438 0.00518254 0.08134026      	#	23     	Pt23
        0.99700438 0.25518254 0.08134026      	#	24     	Pt24
        0.49700438 0.50518254 0.08134026      	#	25     	Pt25
        0.24700438 0.75518254 0.08134026      	#	26     	Pt26
        0.24700438 0.50518254 0.08134026      	#	27     	Pt27
        0.99700438 0.75518254 0.08134026      	#	28     	Pt28
        0.74700438 0.25518254 0.08134026      	#	29     	Pt29
        0.74700438 0.00518254 0.08134026      	#	30     	Pt30
        0.49700438 0.25518254 0.08134026      	#	31     	Pt31
        0.99700438 0.00518254 0.08134026      	#	32     	Pt32
        0.33049438 0.33782588 0.16009810      	#	33     	Pt33
        0.08152105 0.58645254 0.15971194      	#	34     	Pt34
        0.08217105 0.33755921 0.15980451      	#	35     	Pt35
        0.83114105 0.58695254 0.15910625      	#	36     	Pt36
        0.58147438 0.08699921 0.15885763      	#	37     	Pt37
        0.58135771 0.83690254 0.15904278      	#	38     	Pt38
        0.33131771 0.08667588 0.15891317      	#	39     	Pt39
        0.83147771 0.83720921 0.15888143      	#	40     	Pt40
        0.58129438 0.58674921 0.15912212      	#	41     	Pt41
        0.58070105 0.33704588 0.15919618      	#	42     	Pt42
        0.33164105 0.58672588 0.15938397      	#	43     	Pt43
        0.83144771 0.33667588 0.15877828      	#	44     	Pt44
        0.33095105 0.83696254 0.15897930      	#	45     	Pt45
        0.08088438 0.08722588 0.15891582      	#	46     	Pt46
        0.08092771 0.83733588 0.15873861      	#	47     	Pt47
        0.83119771 0.08718921 0.15914064      	#	48     	Pt48
        0.41825105 0.41865588 0.23900141      	#	49     	Pt49
        0.41767771 0.16564254 0.23779004      	#	50     	Pt50
        0.16460438 0.41769588 0.24012815      	#	51     	Pt51
        0.66662771 0.16745921 0.23834283      	#	52     	Pt52
        0.16503771 0.67101921 0.23783500      	#	53     	Pt53
        0.91553438 0.91877588 0.23840895      	#	54     	Pt54
        0.91338105 0.67041921 0.23819471      	#	55     	Pt55
        0.66591771 0.91816254 0.23834018      	#	56     	Pt56
        0.16590771 0.16610921 0.23804924      	#	57     	Pt57
        0.91338105 0.41862254 0.23809685      	#	58     	Pt58
        0.91546105 0.16857254 0.23842482      	#	59     	Pt59
        0.66657438 0.41871588 0.23868402      	#	60     	Pt60
        0.41577105 0.91784254 0.23836928      	#	61     	Pt61
        0.41606771 0.66952588 0.23890091      	#	62     	Pt62
        0.16570771 0.91835921 0.23834547      	#	63     	Pt63
        0.66515771 0.66879588 0.23846185      	#	64     	Pt64
        0.59416105 0.37854588 0.31837023      	#	65     	H65
        0.40951771 0.60135921 0.31495829      	#	66     	H66
        0.24963105 0.42918254 0.32540837      	#	67     	H67
        0.08457438 0.51902588 0.32354635      	#	68     	H68
        0.55397771 0.40789254 0.34443594      	#	69     	O69
        0.16305438 0.42608588 0.31747361      	#	70     	O70
        0.44111432 0.46828238 0.36817266      	#	71     	O71
        0.42157766 0.69331238 0.38353173      	#	72     	O72
        0.49407099 0.54066905 0.39097189      	#	73     	S73