No title
    1.0
            8.99652000 0.00000000 0.00000000 
            0.00000000 8.99652000 0.00000000 
            0.00000000 0.00000000 27.72300000 
  Ti N H Si O C
  54 63 30 1 2 4
Selective dynamics
Direct
        0.07538749 0.07095150 0.28176314  F F F      	#	1      	Ti1
        0.24270976 0.23856128 0.51207668  T T T      	#	2      	Ti2
        0.07542331 0.07091101 0.43571869  T T T      	#	3      	Ti3
        0.24205416 0.23761817 0.35825198  F F F      	#	4      	Ti4
        0.07638664 0.07102179 0.59571528  T T T      	#	5      	Ti5
        0.24205416 0.23761817 0.20527431  F F F      	#	6      	Ti6
        0.07538749 0.40428484 0.28176314  F F F      	#	7      	Ti7
        0.24195877 0.56951013 0.51226752  T T T      	#	8      	Ti8
        0.07550201 0.40429315 0.43553505  T T T      	#	9      	Ti9
        0.24205416 0.57095150 0.35825198  F F F      	#	10     	Ti10
        0.07599132 0.40406665 0.59614109  T T T      	#	11     	Ti11
        0.24205416 0.57095150 0.20527431  F F F      	#	12     	Ti12
        0.07538749 0.73761817 0.28176314  F F F      	#	13     	Ti13
        0.24198766 0.90314271 0.51192666  T T T      	#	14     	Ti14
        0.07556683 0.73741972 0.43539847  T T T      	#	15     	Ti15
        0.24205416 0.90428484 0.35825198  F F F      	#	16     	Ti16
        0.07564064 0.73846432 0.59686750  T T T      	#	17     	Ti17
        0.24205416 0.90428484 0.20527431  F F F      	#	18     	Ti18
        0.40872083 0.07095150 0.28176314  F F F      	#	19     	Ti19
        0.57419353 0.23678626 0.51176413  T T T      	#	20     	Ti20
        0.40835328 0.07104831 0.43570860  T T T      	#	21     	Ti21
        0.57538749 0.23761817 0.35825198  F F F      	#	22     	Ti22
        0.41082982 0.07134450 0.59379125  T T T      	#	23     	Ti23
        0.57538749 0.23761817 0.20527431  F F F      	#	24     	Ti24
        0.40872083 0.40428484 0.28176314  F F F      	#	25     	Ti25
        0.57453918 0.57003393 0.51218230  T T T      	#	26     	Ti26
        0.40847044 0.40431949 0.43518652  T T T      	#	27     	Ti27
        0.57538749 0.57095150 0.35825198  F F F      	#	28     	Ti28
        0.41130794 0.39430492 0.60266025  T T T      	#	29     	Ti29
        0.57538749 0.57095150 0.20527431  F F F      	#	30     	Ti30
        0.40872083 0.73761817 0.28176314  F F F      	#	31     	Ti31
        0.57711873 0.90422476 0.51175199  T T T      	#	32     	Ti32
        0.40928080 0.73733193 0.43577238  T T T      	#	33     	Ti33
        0.57538749 0.90428484 0.35825198  F F F      	#	34     	Ti34
        0.40884568 0.73566364 0.59462730  T T T      	#	35     	Ti35
        0.57538749 0.90428484 0.20527431  F F F      	#	36     	Ti36
        0.74205416 0.07095150 0.28176314  F F F      	#	37     	Ti37
        0.90912979 0.23764400 0.51203010  T T T      	#	38     	Ti38
        0.74282513 0.07051825 0.43550861  T T T      	#	39     	Ti39
        0.90872083 0.23761817 0.35825198  F F F      	#	40     	Ti40
        0.74212200 0.06864342 0.59527960  T T T      	#	41     	Ti41
        0.90872083 0.23761817 0.20527431  F F F      	#	42     	Ti42
        0.74205416 0.40428484 0.28176314  F F F      	#	43     	Ti43
        0.90930889 0.57221618 0.51198980  T T T      	#	44     	Ti44
        0.74147518 0.40403712 0.43591594  T T T      	#	45     	Ti45
        0.90872083 0.57095150 0.35825198  F F F      	#	46     	Ti46
        0.74043708 0.40429632 0.59348032  T T T      	#	47     	Ti47
        0.90872083 0.57095150 0.20527431  F F F      	#	48     	Ti48
        0.74205416 0.73761817 0.28176314  F F F      	#	49     	Ti49
        0.90928728 0.90374011 0.51180623  T T T      	#	50     	Ti50
        0.74225454 0.73742708 0.43542977  T T T      	#	51     	Ti51
        0.90872083 0.90428484 0.35825198  F F F      	#	52     	Ti52
        0.74468095 0.73713439 0.59622934  T T T      	#	53     	Ti53
        0.90872083 0.90428484 0.20527431  F F F      	#	54     	Ti54
        0.07538749 0.07095150 0.20527431  F F F      	#	55     	N1
        0.24247105 0.23914776 0.58732911  T T T      	#	56     	N2
        0.07538749 0.07095150 0.35825198  F F F      	#	57     	N3
        0.24194392 0.23757447 0.43462366  T T T      	#	58     	N4
        0.07586456 0.07085650 0.51277837  T T T      	#	59     	N5
        0.24205416 0.23761817 0.28176314  F F F      	#	60     	N6
        0.07538749 0.40428484 0.20527431  F F F      	#	61     	N7
        0.24092343 0.57158184 0.58701583  T T T      	#	62     	N8
        0.07538749 0.40428484 0.35825198  F F F      	#	63     	N9
        0.24206862 0.57087413 0.43462947  T T T      	#	64     	N10
        0.07530031 0.40421286 0.51263072  T T T      	#	65     	N11
        0.24205416 0.57095150 0.28176314  F F F      	#	66     	N12
        0.07538749 0.73761817 0.20527431  F F F      	#	67     	N13
        0.24312897 0.90357820 0.58778345  T T T      	#	68     	N14
        0.07538749 0.73761817 0.35825198  F F F      	#	69     	N15
        0.24214336 0.90405255 0.43461462  T T T      	#	70     	N16
        0.07570751 0.73730682 0.51251792  T T T      	#	71     	N17
        0.24205416 0.90428484 0.28176314  F F F      	#	72     	N18
        0.40872083 0.07095150 0.20527431  F F F      	#	73     	N19
        0.57457604 0.23470503 0.58636681  T T T      	#	74     	N20
        0.40872083 0.07095150 0.35825198  F F F      	#	75     	N21
        0.57539400 0.23741484 0.43449648  T T T      	#	76     	N22
        0.40867554 0.07018163 0.51252346  T T T      	#	77     	N23
        0.57538749 0.23761817 0.28176314  F F F      	#	78     	N24
        0.40872083 0.40428484 0.20527431  F F F      	#	79     	N25
        0.57527418 0.57049747 0.58769819  T T T      	#	80     	N26
        0.40872083 0.40428484 0.35825198  F F F      	#	81     	N27
        0.57545082 0.57078537 0.43460365  T T T      	#	82     	N28
        0.40867894 0.40399801 0.51207701  T T T      	#	83     	N29
        0.57538749 0.57095150 0.28176314  F F F      	#	84     	N30
        0.40872083 0.73761817 0.20527431  F F F      	#	85     	N31
        0.57772899 0.90478791 0.58695777  T T T      	#	86     	N32
        0.40872083 0.73761817 0.35825198  F F F      	#	87     	N33
        0.57558669 0.90411539 0.43453311  T T T      	#	88     	N34
        0.40895839 0.73731840 0.51262457  T T T      	#	89     	N35
        0.57538749 0.90428484 0.28176314  F F F      	#	90     	N36
        0.74205416 0.07095150 0.20527431  F F F      	#	91     	N37
        0.90857333 0.23773545 0.58792465  T T T      	#	92     	N38
        0.74205416 0.07095150 0.35825198  F F F      	#	93     	N39
        0.90881217 0.23746651 0.43462440  T T T      	#	94     	N40
        0.74263246 0.07074535 0.51254851  T T T      	#	95     	N41
        0.90872083 0.23761817 0.28176314  F F F      	#	96     	N42
        0.74205416 0.40428484 0.20527431  F F F      	#	97     	N43
        0.90808499 0.57127438 0.58665844  T T T      	#	98     	N44
        0.74205416 0.40428484 0.35825198  F F F      	#	99     	N45
        0.90882466 0.57079094 0.43457438  T T T      	#	100    	N46
        0.74206443 0.40403922 0.51257843  T T T      	#	101    	N47
        0.90872083 0.57095150 0.28176314  F F F      	#	102    	N48
        0.74205416 0.73761817 0.20527431  F F F      	#	103    	N49
        0.91001820 0.90294224 0.58703944  T T T      	#	104    	N50
        0.74205416 0.73761817 0.35825198  F F F      	#	105    	N51
        0.90899230 0.90404681 0.43457754  T T T      	#	106    	N52
        0.74232668 0.73725099 0.51256599  T T T      	#	107    	N53
        0.90872083 0.90428484 0.28176314  F F F      	#	108    	N54
        0.07847484 0.07347458 0.66516203  T T T      	#	109    	N55
        0.05846770 0.40400196 0.66566066  T T T      	#	110    	N56
        0.08737818 0.74115931 0.66612270  T T T      	#	111    	N57
        0.41187426 0.08922204 0.66395319  T T T      	#	112    	N58
        0.39195041 0.42020398 0.67084867  T T T      	#	113    	N59
        0.41677430 0.74548135 0.66480494  T T T      	#	114    	N60
        0.74526177 0.06238425 0.66530324  T T T      	#	115    	N61
        0.71825244 0.39289742 0.66380874  T T T      	#	116    	N62
        0.74879851 0.72099481 0.66539548  T T T      	#	117    	N63
        0.07707884 0.17147528 0.68405067  T T T      	#	118    	H1
        0.08542420 0.97687053 0.68468840  T T T      	#	119    	H2
        0.95628359 0.40669832 0.67997960  T T T      	#	120    	H3
        0.12366227 0.46614885 0.68383667  T T T      	#	121    	H4
        0.19041159 0.72888084 0.68162398  T T T      	#	122    	H5
        0.00403683 0.71434377 0.68667848  T T T      	#	123    	H6
        0.30942449 0.08923343 0.67974831  T T T      	#	124    	H7
        0.49128004 0.13387975 0.68336377  T T T      	#	125    	H8
        0.33697568 0.34980789 0.68720075  T T T      	#	126    	H9
        0.37080434 0.52873181 0.71119718  T T T      	#	127    	H10
        0.40280481 0.85081919 0.67815910  T T T      	#	128    	H11
        0.50152905 0.70574987 0.67772944  T T T      	#	129    	H12
        0.67612788 0.00363736 0.68481457  T T T      	#	130    	H13
        0.84956463 0.06340665 0.67997534  T T T      	#	131    	H14
        0.74061250 0.28769768 0.67655753  T T T      	#	132    	H15
        0.63156234 0.43059714 0.67741555  T T T      	#	133    	H16
        0.75382009 0.79340668 0.68629869  T T T      	#	134    	H17
        0.77426409 0.62675862 0.68224096  T T T      	#	135    	H18
        0.49618058 0.92999461 0.82540279  T T T      	#	136    	H19
        0.35860472 0.66697613 0.80644522  T T T      	#	137    	H20
        0.68622203 0.63719403 0.80225489  T T T      	#	138    	H21
        0.25532974 0.60238490 0.93618966  T T T      	#	139    	H22
        0.13215446 0.52599714 0.92143734  T T T      	#	140    	H23
        0.18783227 0.64055056 0.89627262  T T T      	#	141    	H24
        0.68577841 0.38163442 0.84500826  T T T      	#	142    	H25
        0.55577004 0.41608174 0.80346791  T T T      	#	143    	H26
        0.57101600 0.28160081 0.84448301  T T T      	#	144    	H27
        0.65141077 0.45941815 0.93256566  T T T      	#	145    	H28
        0.55895298 0.32923530 0.93068111  T T T      	#	146    	H29
        0.48103149 0.48056979 0.94124420  T T T      	#	147    	H30
        0.49256989 0.48095457 0.86679291  T T T      	#	148    	Si
        0.51131020 0.63526255 0.85906275  T T T      	#	149    	O1
        0.33141706 0.49658402 0.88616040  T T T      	#	150    	O2
        0.46509498 0.67291508 0.82101367  T T T      	#	151    	C1
        0.22300459 0.56707317 0.91066496  T T T      	#	152    	C2
        0.58514474 0.38134636 0.83660719  T T T      	#	153    	C3
        0.55178474 0.43307178 0.92264402  T T T      	#	154    	C4