No title
1.0
14.45355148 -0.18374259 -0.32046829
-0.17887990 14.03311554 0.06414948
-0.31912234 0.06542946 13.80060596
C H O N F
110 60 25 10 30
Direct
0.07704800 0.04816828 0.95176319 # 1 Untitled_1::C1
0.92846920 0.02482667 0.76066157 # 2 Untitled_1::C2
0.95298090 0.94860521 0.82833649 # 3 Untitled_1::C3
0.02293123 0.96491592 0.92131812 # 4 Untitled_1::C4
0.06620728 0.06711654 0.05152069 # 5 Untitled_1::C5
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0.99456216 0.87228697 0.76542446 # 8 Untitled_1::C8
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0.94638565 0.07825005 0.21738761 # 10 Untitled_1::C10
0.88829267 0.08169531 0.29500316 # 11 Untitled_1::C11
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0.84679282 0.99468915 0.32467841 # 14 Untitled_1::C14
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0.84614430 0.47053751 0.09137451 # 23 Untitled_1::C1
0.85558642 0.57398233 0.12987450 # 24 Untitled_1::C2
0.92190618 0.59564265 0.04737839 # 25 Untitled_1::C3
0.89741455 0.49769163 0.00433458 # 26 Untitled_1::C4
0.77095309 0.40426016 0.06417395 # 27 Untitled_1::C5
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0.67947059 0.39415902 0.90310857 # 31 Untitled_1::C9
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0.54621697 0.28134444 0.86412810 # 33 Untitled_1::C11
0.67340292 0.41984430 0.80272090 # 34 Untitled_1::C12
0.60821202 0.38313396 0.73703732 # 35 Untitled_1::C13
0.53672976 0.31797241 0.76491146 # 36 Untitled_1::C14
0.38495974 0.26880812 0.68680578 # 37 Untitled_1::C15
0.34871553 0.21651334 0.60656784 # 38 Untitled_1::C16
0.25398666 0.21756730 0.58260793 # 39 Untitled_1::C17
0.32354968 0.30592144 0.75006833 # 40 Untitled_1::C18
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0.19442189 0.26769024 0.63760251 # 42 Untitled_1::C20
0.51525928 0.19441631 0.88949804 # 43 Untitled_1::C21
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0.75572710 0.84095583 0.73184362 # 45 Untitled_1::C1
0.66662237 0.85387338 0.79410519 # 46 Untitled_1::C2
0.61113837 0.85696676 0.69703887 # 47 Untitled_1::C3
0.69295351 0.82795178 0.63969381 # 48 Untitled_1::C4
0.80311084 0.74767984 0.74614039 # 49 Untitled_1::C5
0.69518997 0.72437117 0.61593677 # 50 Untitled_1::C6
0.65882265 0.95333876 0.83491280 # 51 Untitled_1::C7
0.60275530 0.96273404 0.67823759 # 52 Untitled_1::C8
0.80630772 0.59695563 0.64715687 # 53 Untitled_1::C9
0.89373230 0.57630312 0.68352513 # 54 Untitled_1::C10
0.92056791 0.48129707 0.70431056 # 55 Untitled_1::C11
0.75502057 0.52425207 0.59802594 # 56 Untitled_1::C12
0.78425342 0.43122555 0.60895576 # 57 Untitled_1::C13
0.85392788 0.40556487 0.67740917 # 58 Untitled_1::C14
0.84138597 0.26832538 0.79358082 # 59 Untitled_1::C15
0.92532162 0.24287391 0.83696423 # 60 Untitled_1::C16
0.92679301 0.20069111 0.92936581 # 61 Untitled_1::C17
0.75959262 0.23269268 0.83098157 # 62 Untitled_1::C18
0.76141989 0.17858283 0.91689845 # 63 Untitled_1::C19
0.84489385 0.16798431 0.96898633 # 64 Untitled_1::C20
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0.00729671 0.24223086 0.77497808 # 66 Untitled_1::C22
0.55496007 0.44058994 0.95449431 # 67 Untitled_1::C1
0.48140131 0.42695248 0.11880448 # 68 Untitled_1::C2
0.54943257 0.50947804 0.12176836 # 69 Untitled_1::C3
0.58408892 0.52500410 0.01697156 # 70 Untitled_1::C4
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0.51632419 0.34945539 0.17161950 # 73 Untitled_1::C7
0.62233594 0.47549032 0.19383579 # 74 Untitled_1::C8
0.46536890 0.62733759 0.79099714 # 75 Untitled_1::C9
0.45185033 0.57863426 0.70324626 # 76 Untitled_1::C10
0.41334712 0.62065026 0.62018583 # 77 Untitled_1::C11
0.44717665 0.72477962 0.79136244 # 78 Untitled_1::C12
0.41268263 0.76850991 0.70623973 # 79 Untitled_1::C13
0.39206972 0.71707787 0.62110241 # 80 Untitled_1::C14
0.27504825 0.73022293 0.49547610 # 81 Untitled_1::C15
0.26398636 0.74754698 0.39556366 # 82 Untitled_1::C16
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0.20371063 0.68722736 0.54623910 # 84 Untitled_1::C18
0.12129736 0.66031226 0.49718709 # 85 Untitled_1::C19
0.10827778 0.68110568 0.39869890 # 86 Untitled_1::C20
0.39746084 0.54934627 0.53894159 # 87 Untitled_1::C21
0.33981372 0.79568360 0.34181069 # 88 Untitled_1::C22
0.21302799 0.39737828 0.18030364 # 89 Untitled_1::C1
0.30042481 0.34534489 0.22028467 # 90 Untitled_1::C2
0.29323302 0.27908579 0.13214926 # 91 Untitled_1::C3
0.20221904 0.32927829 0.09465233 # 92 Untitled_1::C4
0.24304156 0.49191303 0.13897574 # 93 Untitled_1::C5
0.21526863 0.39061322 0.00583201 # 94 Untitled_1::C6
0.29649470 0.28173705 0.30910656 # 95 Untitled_1::C7
0.28922887 0.17860645 0.17310070 # 96 Untitled_1::C8
0.25872730 0.56431564 0.97327126 # 97 Untitled_1::C9
0.25165931 0.65497028 0.01202014 # 98 Untitled_1::C10
0.23848946 0.73728365 0.95549149 # 99 Untitled_1::C11
0.26165033 0.55695034 0.87170685 # 100 Untitled_1::C12
0.25344968 0.63966145 0.81671167 # 101 Untitled_1::C13
0.24057043 0.73017377 0.85352221 # 102 Untitled_1::C14
0.25071101 0.88976928 0.77603461 # 103 Untitled_1::C15
0.21067448 0.95326803 0.70483734 # 104 Untitled_1::C16
0.21036855 0.04890330 0.73050178 # 105 Untitled_1::C17
0.31382771 0.92679580 0.84597742 # 106 Untitled_1::C18
0.31694160 0.02408429 0.86588935 # 107 Untitled_1::C19
0.25906652 0.08413944 0.81239086 # 108 Untitled_1::C20
0.21480226 0.82005047 0.01582300 # 109 Untitled_1::C21
0.18759926 0.93079014 0.59913567 # 110 Untitled_1::C22
0.13160099 0.08363351 0.91285171 # 111 Untitled_1::H1
0.89681957 0.09007857 0.78073736 # 112 Untitled_1::H3
0.89429808 0.91324652 0.86545490 # 113 Untitled_1::H5
0.07212797 0.90899096 0.90561389 # 114 Untitled_1::H7
0.97720950 0.14304148 0.18811946 # 115 Untitled_1::H8
0.95300923 0.83793688 0.18329647 # 116 Untitled_1::H10
0.84150187 0.84346807 0.31573613 # 117 Untitled_1::H11
0.64144340 0.20252687 0.57065063 # 118 Untitled_1::H12
0.65275820 0.02883961 0.25497960 # 119 Untitled_1::H14
0.53869329 0.15836677 0.27420057 # 120 Untitled_1::H15
0.53475069 0.24739094 0.42666755 # 121 H_head
0.01740732 0.87403191 0.61775541 # 122 H_tail
0.74105665 0.50539370 0.26345506 # 123 Untitled_1::H1
0.79158980 0.61500492 0.13001592 # 124 Untitled_1::H3
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0.95382220 0.45413753 0.97966605 # 126 Untitled_1::H7
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0.22747170 0.17221436 0.52365560 # 130 Untitled_1::H12
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0.18505870 0.33391148 0.77737635 # 132 Untitled_1::H15
0.12105738 0.27032831 0.61696842 # 133 H_head
0.06117011 0.59479021 0.24640028 # 134 H_tail
0.80665379 0.90067026 0.73585791 # 135 Untitled_1::H1
0.65214923 0.79800368 0.84810289 # 136 Untitled_1::H3
0.54625913 0.81795350 0.68175424 # 137 Untitled_1::H5
0.70072889 0.87034738 0.57356584 # 138 Untitled_1::H7
0.93600876 0.63424446 0.71455315 # 139 Untitled_1::H8
0.68971023 0.53813650 0.55915846 # 140 Untitled_1::H10
0.74297560 0.37138105 0.57858053 # 141 Untitled_1::H11
0.99364201 0.18644159 0.96414438 # 142 Untitled_1::H12
0.69508049 0.23697209 0.78877056 # 143 Untitled_1::H14
0.69793968 0.14528165 0.94531334 # 144 Untitled_1::H15
0.84733368 0.13190762 0.03866626 # 145 H_head
0.62300444 0.09147464 0.75241052 # 146 H_tail
0.43679541 0.35240438 0.98573179 # 147 Untitled_1::H1
0.41029963 0.43565319 0.09454072 # 148 Untitled_1::H3
0.52426534 0.57837820 0.14605677 # 149 Untitled_1::H5
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0.46723443 0.50428028 0.69503272 # 151 Untitled_1::H8
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0.39913792 0.84457174 0.70642025 # 153 Untitled_1::H11
0.16749398 0.74836908 0.27235892 # 154 Untitled_1::H12
0.20830046 0.68564996 0.62488180 # 155 Untitled_1::H14
0.06385333 0.63162902 0.53844012 # 156 Untitled_1::H15
0.03968520 0.66792380 0.36501112 # 157 H_head
0.65357604 0.34309740 0.25185953 # 158 H_tail
0.15531999 0.40645100 0.22855708 # 159 Untitled_1::H1
0.36160425 0.39275616 0.22947478 # 160 Untitled_1::H3
0.34954343 0.28219473 0.08259143 # 161 Untitled_1::H5
0.14084683 0.28248539 0.08766261 # 162 Untitled_1::H7
0.24798320 0.65734627 0.09001617 # 163 Untitled_1::H8
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0.25457977 0.15837157 0.83226243 # 169 H_head
0.29617766 0.13086852 0.32002997 # 170 H_tail
0.09715764 0.13342383 0.10323028 # 171 Untitled_1::O1
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0.78057192 0.98420381 0.39295593 # 175 Untitled_1::O5
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0.84179689 0.31177733 0.70204760 # 185 Untitled_1::O5
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0.49211524 0.26584810 0.18675808 # 188 Untitled_1::O3
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0.35765889 0.76261365 0.53970039 # 190 Untitled_1::O5
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0.00771557 0.99161492 0.08688746 # 196 Untitled_1::N1
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0.78872421 0.12916746 0.63702733 # 211 Untitled_1::F6
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0.28200089 0.84505101 0.08081356 # 230 Untitled_1::F1
0.13548996 0.79626232 0.06859696 # 231 Untitled_1::F2
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