No title
    1.0
            5.03221047 0.00000000 0.00000000 
            0.00000000 5.03221047 0.00000000 
            0.00000000 0.00000000 5.03221047 
  C H N O
  28 16 2 5
Direct
        0.61114978 0.33614483 0.18994911      	#	1      	Untitled_1::C1
        0.65074625 0.13345923 0.34115770      	#	2      	Untitled_1::C2
        0.70656749 0.94504708 0.17546092      	#	3      	Untitled_1::C3
        0.62717719 0.38073594 0.92854890      	#	4      	Untitled_1::C4
        0.61680027 0.16644784 0.77566563      	#	5      	Untitled_1::C5
        0.58976527 0.98509520 0.95054328      	#	6      	Untitled_1::C6
        0.48907099 0.47841058 0.56393751      	#	7      	Untitled_1::C7
        0.50037868 0.08495288 0.55802231      	#	8      	Untitled_1::C8
        0.67204105 0.63532092 0.68762998      	#	9      	Untitled_1::C9
        0.84484172 0.47816220 0.80151955      	#	10     	Untitled_1::C10
        0.85757564 0.24254628 0.69528618      	#	11     	Untitled_1::C11
        0.76040007 0.72386127 0.47179968      	#	12     	Untitled_1::C12
        0.71327545 0.56154888 0.25947930      	#	13     	Untitled_1::C13
        0.86220074 0.19250025 0.45540192      	#	14     	Untitled_1::C14
        0.95989362 0.84067244 0.19407982      	#	15     	Untitled_1::C15
        0.98324740 0.06580179 0.83201833      	#	16     	Untitled_1::C16
        0.95477153 0.58213446 0.17353306      	#	17     	Untitled_1::C17
        0.07565152 0.47299279 0.37129881      	#	18     	Untitled_1::C18
        0.03570239 0.23058334 0.28419665      	#	19     	Untitled_1::C19
        0.04813425 0.52584630 0.94804873      	#	20     	Untitled_1::C20
        0.24279606 0.35183364 0.94838780      	#	21     	Untitled_1::C21
        0.20914693 0.89112154 0.13893128      	#	22     	Untitled_1::C22
        0.32917711 0.51487196 0.34931089      	#	23     	Untitled_1::C23
        0.18833879 0.79888420 0.58743186      	#	24     	Untitled_1::C24
        0.20471505 0.01352484 0.72866826      	#	25     	Untitled_1::C25
        0.35927056 0.31453986 0.17663234      	#	26     	Untitled_1::C26
        0.25456175 0.10101719 0.28141445      	#	27     	Untitled_1::C27
        0.26259418 0.16467329 0.53263861      	#	28     	Untitled_1::C28
        0.57007007 0.77128670 0.17597804      	#	29     	Untitled_1::H1
        0.50743128 0.53096630 0.96207117      	#	30     	Untitled_1::H3
        0.63887413 0.35899571 0.51717281      	#	31     	Untitled_1::H4
        0.80032535 0.29511594 0.04909133      	#	32     	Untitled_1::H7
        0.70431668 0.91197977 0.53556867      	#	33     	Untitled_1::H8
        0.67739955 0.64412702 0.07160952      	#	34     	Untitled_1::H9
        0.93360297 0.00555984 0.51542716      	#	35     	Untitled_1::H10
        0.98947469 0.49834508 0.55001594      	#	36     	Untitled_1::H11
        0.12179779 0.70119636 0.89654597      	#	37     	Untitled_1::H12
        0.27703652 0.15870920 0.89333425      	#	38     	Untitled_1::H13
        0.24510302 0.91406892 0.93422072      	#	39     	Untitled_1::H14
        0.13687781 0.62771104 0.66814244      	#	40     	Untitled_1::H15
        0.41944528 0.05060476 0.02528145      	#	41     	Untitled_1::H16
        0.52270759 0.89285978 0.29567533      	#	42     	Untitled_1::H17
        0.16841998 0.33297815 0.59875393      	#	43     	H_head
        0.33299154 0.64113759 0.81831342      	#	44     	H_tail
        0.31926858 0.46023802 0.74106645      	#	45     	Untitled_1::N1
        0.98953068 0.82031170 0.44588353      	#	46     	Untitled_1::N2
        0.52641424 0.77416256 0.84532208      	#	47     	Untitled_1::O1
        0.41832747 0.83186346 0.49622626      	#	48     	Untitled_1::O2
        0.88301198 0.85140726 0.83530512      	#	49     	Untitled_1::O3
        0.95305584 0.17748202 0.05642958      	#	50     	Untitled_1::O4
        0.34581187 0.68484173 0.16042965      	#	51     	Untitled_1::O5