No title
    1.0
            8.17397306 0.00000000 0.00000000 
            0.00000000 8.17397306 0.00000000 
            0.00000000 0.00000000 8.17397306 
  C H N O
  28 16 2 5
Direct
        0.51962715 0.53696695 0.98203005      	#	1      	Untitled_1::C1
        0.63092021 0.58645795 0.86575588      	#	2      	Untitled_1::C2
        0.79495873 0.53977832 0.87144209      	#	3      	Untitled_1::C3
        0.56139507 0.43506129 0.10879388      	#	4      	Untitled_1::C4
        0.72603366 0.38236919 0.12074256      	#	5      	Untitled_1::C5
        0.84506396 0.43539183 0.00282345      	#	6      	Untitled_1::C6
        0.34996542 0.61186642 0.94503815      	#	7      	Untitled_1::C7
        0.54388860 0.69661342 0.73812423      	#	8      	Untitled_1::C8
        0.02578459 0.37486386 0.01867841      	#	9      	Untitled_1::C9
        0.06572336 0.25376037 0.13805842      	#	10     	Untitled_1::C10
        0.22034575 0.18520290 0.13400769      	#	11     	Untitled_1::C11
        0.15147334 0.43366721 0.90986959      	#	12     	Untitled_1::C12
        0.31270569 0.36669052 0.92006409      	#	13     	Untitled_1::C13
        0.34059588 0.24243511 0.03211859      	#	14     	Untitled_1::C14
        0.50103614 0.14606319 0.06210462      	#	15     	Untitled_1::C15
        0.28734127 0.03944450 0.23706709      	#	16     	Untitled_1::C16
        0.57872617 0.87284124 0.23487236      	#	17     	Untitled_1::C17
        0.52200037 0.74046550 0.33023338      	#	18     	Untitled_1::C18
        0.62446994 0.60229777 0.35609494      	#	19     	Untitled_1::C19
        0.73969758 0.87301439 0.17745261      	#	20     	Untitled_1::C20
        0.84124408 0.73736546 0.20361087      	#	21     	Untitled_1::C21
        0.78260460 0.59920428 0.28748753      	#	22     	Untitled_1::C22
        0.81954922 0.31422013 0.40643325      	#	23     	Untitled_1::C23
        0.80536010 0.15393537 0.34172263      	#	24     	Untitled_1::C24
        0.75308436 0.02544045 0.44184659      	#	25     	Untitled_1::C25
        0.77186105 0.34468321 0.56716460      	#	26     	Untitled_1::C26
        0.71893810 0.21530505 0.66685609      	#	27     	Untitled_1::C27
        0.71175489 0.05564850 0.60465021      	#	28     	Untitled_1::C28
        0.88171809 0.58117897 0.77897101      	#	29     	Untitled_1::H1
        0.47020798 0.39533612 0.19761089      	#	30     	Untitled_1::H3
        0.76216235 0.30200297 0.21887390      	#	31     	Untitled_1::H4
        0.97820823 0.21804603 0.23061574      	#	32     	Untitled_1::H7
        0.12382200 0.52845537 0.82015816      	#	33     	Untitled_1::H8
        0.41086888 0.41165345 0.84175632      	#	34     	Untitled_1::H9
        0.58092838 0.49935671 0.42869047      	#	35     	Untitled_1::H10
        0.39994753 0.74421315 0.38386382      	#	36     	Untitled_1::H11
        0.78654779 0.97919769 0.11192232      	#	37     	Untitled_1::H12
        0.96684437 0.73921830 0.15875807      	#	38     	Untitled_1::H13
        0.74482663 0.90154289 0.39278688      	#	39     	Untitled_1::H14
        0.83442362 0.13027258 0.21363838      	#	40     	Untitled_1::H15
        0.77534245 0.46869491 0.61522660      	#	41     	Untitled_1::H16
        0.68355193 0.23891354 0.79269372      	#	42     	Untitled_1::H17
        0.67467081 0.95485925 0.68374284      	#	43     	H_head
        0.27277410 0.77986021 0.73104461      	#	44     	H_tail
        0.36719232 0.71156348 0.79103550      	#	45     	Untitled_1::N1
        0.46279332 0.01223944 0.18384877      	#	46     	Untitled_1::N2
        0.62007007 0.77394706 0.59031870      	#	47     	Untitled_1::O1
        0.19681050 0.58920309 0.04396514      	#	48     	Untitled_1::O2
        0.19382577 0.94095196 0.36053273      	#	49     	Untitled_1::O3
        0.66219155 0.17471899 0.97981772      	#	50     	Untitled_1::O4
        0.89370346 0.44983257 0.30328938      	#	51     	Untitled_1::O5