No title
1.0
14.12525579 -0.40972724 -0.51032360
-0.41819856 13.50102589 0.06770677
-0.52046244 0.06266642 13.17122873
C H O N F
110 60 25 10 30
Direct
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0.87556774 0.01970303 0.60779691 # 2 Untitled_1::C2
0.90811536 0.96056280 0.68379069 # 3 Untitled_1::C3
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0.90488844 0.82530513 0.95394777 # 6 Untitled_1::C6
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0.92886463 0.86301515 0.64084998 # 8 Untitled_1::C8
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0.86278513 0.00357482 0.12460545 # 10 Untitled_1::C10
0.80617948 0.05328054 0.18556975 # 11 Untitled_1::C11
0.77318592 0.84832196 0.15410624 # 12 Untitled_1::C12
0.71580795 0.89748222 0.21596047 # 13 Untitled_1::C13
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0.88947427 0.50474032 0.21281969 # 23 Untitled_1::C1
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0.95943995 0.64641387 0.23011544 # 25 Untitled_1::C3
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0.76756203 0.35953730 0.91003335 # 34 Untitled_1::C12
0.69973485 0.32691335 0.83822004 # 35 Untitled_1::C13
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0.44799198 0.27986382 0.76755192 # 37 Untitled_1::C15
0.41367358 0.27385425 0.66500578 # 38 Untitled_1::C16
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0.38836254 0.30651999 0.84068896 # 40 Untitled_1::C18
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0.26175923 0.32488847 0.70923102 # 42 Untitled_1::C20
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0.47584232 0.24440249 0.58548679 # 44 Untitled_1::C22
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0.62882529 0.86673185 0.71481416 # 46 Untitled_1::C2
0.60161037 0.86435005 0.59927266 # 47 Untitled_1::C3
0.69270614 0.80753941 0.58265218 # 48 Untitled_1::C4
0.71405379 0.69696254 0.72691126 # 49 Untitled_1::C5
0.69439149 0.70195467 0.54821780 # 50 Untitled_1::C6
0.66406373 0.97512080 0.73507719 # 51 Untitled_1::C7
0.61949334 0.97240364 0.56498139 # 52 Untitled_1::C8
0.76203086 0.55407747 0.62833641 # 53 Untitled_1::C9
0.85267885 0.55594118 0.67475603 # 54 Untitled_1::C10
0.91096747 0.47556139 0.66176269 # 55 Untitled_1::C11
0.72362360 0.47136177 0.57243658 # 56 Untitled_1::C12
0.77868288 0.39095581 0.56084787 # 57 Untitled_1::C13
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0.96031036 0.25835015 0.66686483 # 59 Untitled_1::C15
0.04091090 0.20595732 0.65419428 # 60 Untitled_1::C16
0.07978062 0.15365842 0.73757714 # 61 Untitled_1::C17
0.91587416 0.25239744 0.75741517 # 62 Untitled_1::C18
0.95399762 0.19752062 0.83861789 # 63 Untitled_1::C19
0.03753818 0.14976001 0.82963968 # 64 Untitled_1::C20
0.00621518 0.49199292 0.69277018 # 65 Untitled_1::C21
0.08112442 0.20014906 0.55235829 # 66 Untitled_1::C22
0.60780608 0.48518101 0.99425836 # 67 Untitled_1::C1
0.45928480 0.50778289 0.14375916 # 68 Untitled_1::C2
0.54048194 0.58502309 0.13705801 # 69 Untitled_1::C3
0.60414304 0.58237697 0.04519370 # 70 Untitled_1::C4
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0.56114518 0.64777276 0.96066723 # 72 Untitled_1::C6
0.46137613 0.46793636 0.24308734 # 73 Untitled_1::C7
0.59442790 0.57753794 0.23838565 # 74 Untitled_1::C8
0.48523839 0.61936927 0.78489317 # 75 Untitled_1::C9
0.48455713 0.56890052 0.69225242 # 76 Untitled_1::C10
0.43546731 0.60569341 0.60540481 # 77 Untitled_1::C11
0.43287216 0.70419776 0.78806320 # 78 Untitled_1::C12
0.38630174 0.74188782 0.70107019 # 79 Untitled_1::C13
0.38933850 0.69430855 0.60873067 # 80 Untitled_1::C14
0.27265466 0.78133342 0.50707135 # 81 Untitled_1::C15
0.27253288 0.87579712 0.46199865 # 82 Untitled_1::C16
0.18648671 0.91697862 0.43431461 # 83 Untitled_1::C17
0.18840107 0.73213427 0.53226179 # 84 Untitled_1::C18
0.10272555 0.77504394 0.50554904 # 85 Untitled_1::C19
0.10157853 0.86531621 0.45337628 # 86 Untitled_1::C20
0.42908230 0.55158947 0.50647596 # 87 Untitled_1::C21
0.36423744 0.93515614 0.45226695 # 88 Untitled_1::C22
0.11769017 0.31778640 0.18867834 # 89 Untitled_1::C1
0.19996626 0.24629703 0.20630241 # 90 Untitled_1::C2
0.18844590 0.21805244 0.09236366 # 91 Untitled_1::C3
0.10190577 0.28667324 0.07679819 # 92 Untitled_1::C4
0.15951371 0.42267697 0.18652106 # 93 Untitled_1::C5
0.12497768 0.37874697 0.01592570 # 94 Untitled_1::C6
0.17167334 0.15217697 0.26292318 # 95 Untitled_1::C7
0.15951658 0.10798441 0.09159982 # 96 Untitled_1::C8
0.21034087 0.54543365 0.05230589 # 97 Untitled_1::C9
0.25162019 0.61189725 0.12591562 # 98 Untitled_1::C10
0.28383760 0.70722881 0.09898356 # 99 Untitled_1::C11
0.21230816 0.57276083 0.94928388 # 100 Untitled_1::C12
0.24473995 0.66797529 0.92248677 # 101 Untitled_1::C13
0.27495280 0.73810057 0.99683977 # 102 Untitled_1::C14
0.33614743 0.89096528 0.91050871 # 103 Untitled_1::C15
0.29734060 0.93543095 0.82089929 # 104 Untitled_1::C16
0.35658302 0.99991091 0.76636999 # 105 Untitled_1::C17
0.43188307 0.90795157 0.94157111 # 106 Untitled_1::C18
0.49038398 0.96898239 0.88445934 # 107 Untitled_1::C19
0.45225573 0.01654106 0.79772845 # 108 Untitled_1::C20
0.32785351 0.77412467 0.18232515 # 109 Untitled_1::C21
0.19664796 0.91370701 0.77894037 # 110 Untitled_1::C22
0.13875170 0.81880160 0.01866853 # 111 Untitled_1::H1
0.84848822 0.09339479 0.61163879 # 112 Untitled_1::H3
0.91604585 0.97566952 0.76479386 # 113 Untitled_1::H5
0.01437821 0.76955764 0.85643126 # 114 Untitled_1::H7
0.92077003 0.04327791 0.08888783 # 115 Untitled_1::H8
0.76242459 0.76875282 0.14174117 # 116 Untitled_1::H10
0.66043956 0.85696322 0.25536856 # 117 Untitled_1::H11
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0.55265357 0.94365106 0.17063842 # 119 Untitled_1::H14
0.39027430 0.99353497 0.12659350 # 120 Untitled_1::H15
0.33378179 0.14698579 0.19437977 # 121 H_head
0.91497717 0.81721370 0.48562493 # 122 H_tail
0.68004704 0.64420788 0.34112648 # 123 Untitled_1::H1
0.84181070 0.59625661 0.33668018 # 124 Untitled_1::H3
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0.02303532 0.53528820 0.13336722 # 126 Untitled_1::H7
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0.24923204 0.35010246 0.86824397 # 132 Untitled_1::H15
0.18957754 0.34250704 0.68670341 # 133 H_head
0.12949058 0.58331360 0.39887282 # 134 H_tail
0.78278303 0.83753865 0.73323054 # 135 Untitled_1::H1
0.57983409 0.83820853 0.76999232 # 136 Untitled_1::H3
0.53365989 0.83079053 0.56800416 # 137 Untitled_1::H5
0.74083173 0.85059153 0.53552479 # 138 Untitled_1::H7
0.88278963 0.62159555 0.71527947 # 139 Untitled_1::H8
0.65020780 0.46922265 0.54102633 # 140 Untitled_1::H10
0.75014338 0.32374947 0.52279222 # 141 Untitled_1::H11
0.14366204 0.11484706 0.72903167 # 142 Untitled_1::H12
0.84888279 0.28667084 0.76045424 # 143 Untitled_1::H14
0.91678769 0.19148782 0.90823236 # 144 Untitled_1::H15
0.06998221 0.10822276 0.89286558 # 145 H_head
0.69372256 0.11563532 0.63904381 # 146 H_tail
0.43099130 0.39728528 0.09323443 # 147 Untitled_1::H1
0.39091895 0.52220972 0.10469040 # 148 Untitled_1::H3
0.51563476 0.66136861 0.13571789 # 149 Untitled_1::H5
0.67525103 0.61659438 0.06768059 # 150 Untitled_1::H7
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0.18560605 0.99113946 0.40101427 # 154 Untitled_1::H12
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0.03750611 0.73579042 0.52690109 # 156 Untitled_1::H15
0.03575774 0.89880182 0.42826857 # 157 H_head
0.57609904 0.49261795 0.36761369 # 158 H_tail
0.05987348 0.30991570 0.23963744 # 159 Untitled_1::H1
0.26715463 0.28151732 0.23917058 # 160 Untitled_1::H3
0.24746160 0.23587760 0.04472491 # 161 Untitled_1::H5
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0.49711331 0.06649071 0.75426061 # 169 H_head
0.12432639 0.00657604 0.20663094 # 170 H_tail
0.04056603 0.89837597 0.17412867 # 171 Untitled_1::O1
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0.74263736 0.41670389 0.23327792 # 176 Untitled_1::O1
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0.68972961 0.67005030 0.46016131 # 182 Untitled_1::O2
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0.60750017 0.00165961 0.47639606 # 184 Untitled_1::O4
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0.56375966 0.42544959 0.82456964 # 186 Untitled_1::O1
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0.41001877 0.41099619 0.29155363 # 188 Untitled_1::O3
0.66662661 0.63940444 0.26506674 # 189 Untitled_1::O4
0.35774587 0.73603462 0.51782204 # 190 Untitled_1::O5
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0.10966806 0.38862232 0.92405628 # 192 Untitled_1::O2
0.16917360 0.14165820 0.35457100 # 193 Untitled_1::O3
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0.91421929 0.85516150 0.05705489 # 196 Untitled_1::N1
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0.46052768 0.61022712 0.42905773 # 226 Untitled_1::F3
0.41115961 0.94877402 0.54694994 # 227 Untitled_1::F4
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0.42500539 0.89201016 0.39309841 # 229 Untitled_1::F6
0.42042002 0.80457963 0.16301326 # 230 Untitled_1::F1
0.33456443 0.72821185 0.27402214 # 231 Untitled_1::F2
0.28146368 0.85861670 0.19261229 # 232 Untitled_1::F3
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