No title
    1.0
            7.92674255 0.08986940 -0.20817359 
            0.10004515 7.85750911 0.19372580 
            -0.26480846 0.17725548 8.45954894 
  C H N O
  28 16 2 5
Direct
        0.48295833 0.54556325 0.02422754      	#	1      	Untitled_1::C1
        0.56441559 0.59667141 0.88834343      	#	2      	Untitled_1::C2
        0.72604898 0.53535381 0.86216966      	#	3      	Untitled_1::C3
        0.55547211 0.42508411 0.13247871      	#	4      	Untitled_1::C4
        0.71323919 0.35748680 0.10282265      	#	5      	Untitled_1::C5
        0.80476228 0.41429000 0.97349400      	#	6      	Untitled_1::C6
        0.31819252 0.63694990 0.02635720      	#	7      	Untitled_1::C7
        0.44556544 0.71851265 0.79447426      	#	8      	Untitled_1::C8
        0.97858520 0.34337715 0.96361484      	#	9      	Untitled_1::C9
        0.05766290 0.25493544 0.09800279      	#	10     	Untitled_1::C10
        0.21409020 0.17830817 0.08627409      	#	11     	Untitled_1::C11
        0.07067952 0.35990662 0.82676511      	#	12     	Untitled_1::C12
        0.22878069 0.27900475 0.81504432      	#	13     	Untitled_1::C13
        0.29790017 0.18340217 0.94574674      	#	14     	Untitled_1::C14
        0.45830453 0.08199664 0.97358449      	#	15     	Untitled_1::C15
        0.32499349 0.08917428 0.21115878      	#	16     	Untitled_1::C16
        0.58174535 0.89993030 0.20970963      	#	17     	Untitled_1::C17
        0.52913613 0.79714908 0.33558964      	#	18     	Untitled_1::C18
        0.63666418 0.67273617 0.40958418      	#	19     	Untitled_1::C19
        0.74710363 0.87891050 0.16115023      	#	20     	Untitled_1::C20
        0.85336003 0.75109458 0.23333644      	#	21     	Untitled_1::C21
        0.79651620 0.64443110 0.35498836      	#	22     	Untitled_1::C22
        0.86926101 0.35567632 0.46978827      	#	23     	Untitled_1::C23
        0.01012153 0.24458913 0.48777691      	#	24     	Untitled_1::C24
        0.99446888 0.07618957 0.54225962      	#	25     	Untitled_1::C25
        0.70991677 0.29453003 0.50353272      	#	26     	Untitled_1::C26
        0.69569560 0.12515806 0.55741515      	#	27     	Untitled_1::C27
        0.83703429 0.01627637 0.57964042      	#	28     	Untitled_1::C28
        0.79072825 0.58203029 0.75910247      	#	29     	Untitled_1::H1
        0.49036435 0.38366752 0.23667554      	#	30     	Untitled_1::H3
        0.76669627 0.25751692 0.18484364      	#	31     	Untitled_1::H4
        0.00062445 0.24747813 0.21178234      	#	32     	Untitled_1::H7
        0.01632804 0.43385412 0.72387071      	#	33     	Untitled_1::H8
        0.29444083 0.28980363 0.70542054      	#	34     	Untitled_1::H9
        0.59358230 0.60285208 0.51196920      	#	35     	Untitled_1::H10
        0.40418106 0.81386867 0.37887566      	#	36     	Untitled_1::H11
        0.79084967 0.95853867 0.06407638      	#	37     	Untitled_1::H12
        0.98040830 0.73046895 0.19419755      	#	38     	Untitled_1::H13
        0.10710083 0.99314660 0.55244680      	#	39     	Untitled_1::H14
        0.13243393 0.29216077 0.45723530      	#	40     	Untitled_1::H15
        0.59597178 0.37370326 0.48751291      	#	41     	Untitled_1::H16
        0.57172544 0.07802388 0.58233107      	#	42     	Untitled_1::H17
        0.82210761 0.88513928 0.62262592      	#	43     	H_head
        0.20239044 0.81187840 0.84918153      	#	44     	H_tail
        0.30337214 0.73448089 0.88448389      	#	45     	Untitled_1::N1
        0.46324039 0.02036749 0.13422699      	#	46     	Untitled_1::N2
        0.45776657 0.79172168 0.66562515      	#	47     	Untitled_1::O1
        0.21540981 0.63312083 0.12914968      	#	48     	Untitled_1::O2
        0.30980560 0.08252519 0.35429491      	#	49     	Untitled_1::O3
        0.56714571 0.05373601 0.88091565      	#	50     	Untitled_1::O4
        0.91023292 0.51954153 0.41813152      	#	51     	Untitled_1::O5