No title
    1.0
            11.08690000 0.00000000 0.00000000 
            5.54345000 9.60153705 0.00000000 
            0.00000000 0.00000000 33.05240000 
  Pt S H O
  64 1 4 4
Direct
        0.65845157 0.66380186 0.00065148      	#	1      	Pt1
        0.40939450 0.91317513 0.00043989      	#	2      	Pt2
        0.40855188 0.66349028 0.00158892      	#	3      	Pt3
        0.15853617 0.91366894 0.00128795      	#	4      	Pt4
        0.90922170 0.41262495 0.00086531      	#	5      	Pt5
        0.90916339 0.16325913 0.00166249      	#	6      	Pt6
        0.65839994 0.41303004 0.00140506      	#	7      	Pt7
        0.15847592 0.16373178 0.00062613      	#	8      	Pt8
        0.90868612 0.91373587 0.00114212      	#	9      	Pt9
        0.90833506 0.66341362 0.00081223      	#	10     	Pt10
        0.65855537 0.91336305 0.00086842      	#	11     	Pt11
        0.15831905 0.66343282 0.00129366      	#	12     	Pt12
        0.65846395 0.16345152 0.00161375      	#	13     	Pt13
        0.40850166 0.41338742 0.00192908      	#	14     	Pt14
        0.40830613 0.16331840 0.00165053      	#	15     	Pt15
        0.15870536 0.41293067 0.00150282      	#	16     	Pt16
        0.74113709 0.74703415 0.07019171      	#	17     	Pt17
        0.74059425 0.49783028 0.06988753      	#	18     	Pt18
        0.49123122 0.74687721 0.07075668      	#	19     	Pt19
        0.99159581 0.49716947 0.07031821      	#	20     	Pt20
        0.49239176 0.99655518 0.07049391      	#	21     	Pt21
        0.24231525 0.24756685 0.07110643      	#	22     	Pt22
        0.24346147 0.99619727 0.07007243      	#	23     	Pt23
        0.99291010 0.24639012 0.07087166      	#	24     	Pt24
        0.49197388 0.49671520 0.07153252      	#	25     	Pt25
        0.24242432 0.74620838 0.07105804      	#	26     	Pt26
        0.24271543 0.49669016 0.07126324      	#	27     	Pt27
        0.99198191 0.74672496 0.07026372      	#	28     	Pt28
        0.74170432 0.24677689 0.07103820      	#	29     	Pt29
        0.74149853 0.99648200 0.07031932      	#	30     	Pt30
        0.49173576 0.24715784 0.07150243      	#	31     	Pt31
        0.99261188 0.99619180 0.07103158      	#	32     	Pt32
        0.32723075 0.33216545 0.14105113      	#	33     	Pt33
        0.07549988 0.57956294 0.13860065      	#	34     	Pt34
        0.07610935 0.33051325 0.13905086      	#	35     	Pt35
        0.82513931 0.57994627 0.13815945      	#	36     	Pt36
        0.57467255 0.07985442 0.13916255      	#	37     	Pt37
        0.57433696 0.83068647 0.13861349      	#	38     	Pt38
        0.32491100 0.08147737 0.13858606      	#	39     	Pt39
        0.82489713 0.82959798 0.13845001      	#	40     	Pt40
        0.57440116 0.58121225 0.13980478      	#	41     	Pt41
        0.57605551 0.33039665 0.13964758      	#	42     	Pt42
        0.32661076 0.57993359 0.14032181      	#	43     	Pt43
        0.82666510 0.32984938 0.13903758      	#	44     	Pt44
        0.32569922 0.82877478 0.14015738      	#	45     	Pt45
        0.07435429 0.08176745 0.13967736      	#	46     	Pt46
        0.07536298 0.82991031 0.13885670      	#	47     	Pt47
        0.82592724 0.07991805 0.13873405      	#	48     	Pt48
        0.41527777 0.41259833 0.21184841      	#	49     	Pt49
        0.40979203 0.16411696 0.20969220      	#	50     	Pt50
        0.15933835 0.41429211 0.20911117      	#	51     	Pt51
        0.65899002 0.16116838 0.20787972      	#	52     	Pt52
        0.15677354 0.66398050 0.20781279      	#	53     	Pt53
        0.90845106 0.91196567 0.20804426      	#	54     	Pt54
        0.90911504 0.66403950 0.20819414      	#	55     	Pt55
        0.65877980 0.91355168 0.20849641      	#	56     	Pt56
        0.15937985 0.16485420 0.20857499      	#	57     	Pt57
        0.91047369 0.41451707 0.20818318      	#	58     	Pt58
        0.90626456 0.16329370 0.21121307      	#	59     	Pt59
        0.66382513 0.41366888 0.20794330      	#	60     	Pt60
        0.40853644 0.91793990 0.20832252      	#	61     	Pt61
        0.40625139 0.67082556 0.21000829      	#	62     	Pt62
        0.15576142 0.91791210 0.20807915      	#	63     	Pt63
        0.66053140 0.66513551 0.20782707      	#	64     	Pt64
        0.45973491 0.49310198 0.28354783      	#	65     	S65
        0.31625281 0.42232023 0.28734368      	#	66     	H66
        0.86545105 0.16079794 0.25638992      	#	67     	H67
        0.64073841 0.56769842 0.34906098      	#	68     	H71
        0.70279540 0.66215236 0.35769734      	#	69     	H72
        0.31335007 0.50558777 0.29996034      	#	70     	O68
        0.55050100 0.45856386 0.31883127      	#	71     	O69
        0.41273069 0.64519384 0.27288095      	#	72     	O70
        0.64829651 0.62570198 0.37172618      	#	73     	O73