No title
1.0
14.06423767 -0.45681474 -0.51816155
-0.46541543 13.50037148 0.00044529
-0.52630642 -0.00109715 13.18843855
C H O N F
110 60 25 10 30
Direct
0.06066194 0.78391513 0.03592774 # 1 Untitled_1::C1
0.87968684 0.02667305 0.61221737 # 2 Untitled_1::C2
0.91226048 0.96555988 0.68562536 # 3 Untitled_1::C3
0.00798568 0.77079432 0.94745522 # 4 Untitled_1::C4
0.00528515 0.83591385 0.10810666 # 5 Untitled_1::C5
0.91355136 0.81239126 0.95726557 # 6 Untitled_1::C6
0.88316931 0.97682705 0.51170276 # 7 Untitled_1::C7
0.93426431 0.87006570 0.63842479 # 8 Untitled_1::C8
0.84462727 0.89190092 0.10612007 # 9 Untitled_1::C9
0.85233155 0.99433401 0.09691008 # 10 Untitled_1::C10
0.79808529 0.05077489 0.15457841 # 11 Untitled_1::C11
0.78117787 0.84397642 0.16899544 # 12 Untitled_1::C12
0.72661789 0.90024703 0.22772906 # 13 Untitled_1::C13
0.73669064 0.00283928 0.22010428 # 14 Untitled_1::C14
0.59672313 0.07477050 0.26272575 # 15 Untitled_1::C15
0.56181312 0.16265517 0.30410950 # 16 Untitled_1::C16
0.46332262 0.18143819 0.28580833 # 17 Untitled_1::C17
0.53493909 0.01103130 0.20210093 # 18 Untitled_1::C18
0.43949540 0.03063764 0.18750253 # 19 Untitled_1::C19
0.40362196 0.11387429 0.23058009 # 20 Untitled_1::C20
0.80834637 0.16143189 0.14806960 # 21 Untitled_1::C21
0.62388292 0.23309572 0.35459417 # 22 Untitled_1::C22
0.87744972 0.48609570 0.21722304 # 23 Untitled_1::C1
0.89665187 0.55360706 0.30752273 # 24 Untitled_1::C2
0.95325786 0.62530163 0.23841167 # 25 Untitled_1::C3
0.94596171 0.54335592 0.15226932 # 26 Untitled_1::C4
0.79634648 0.42633465 0.18049336 # 27 Untitled_1::C5
0.90291732 0.57223911 0.05020897 # 28 Untitled_1::C6
0.97366237 0.52194460 0.38765699 # 29 Untitled_1::C7
0.05395458 0.63859555 0.28701092 # 30 Untitled_1::C8
0.73406755 0.37865992 0.01160065 # 31 Untitled_1::C9
0.62940145 0.38738811 0.02886515 # 32 Untitled_1::C10
0.56681336 0.31585840 0.96172279 # 33 Untitled_1::C11
0.75358403 0.34435434 0.91089537 # 34 Untitled_1::C12
0.68516955 0.31643335 0.83693997 # 35 Untitled_1::C13
0.58157005 0.33000534 0.85161352 # 36 Untitled_1::C14
0.43523901 0.30573785 0.74744654 # 37 Untitled_1::C15
0.41143007 0.29629089 0.64273350 # 38 Untitled_1::C16
0.33156685 0.33980876 0.59789045 # 39 Untitled_1::C17
0.37454569 0.35174901 0.80837854 # 40 Untitled_1::C18
0.29491264 0.39492779 0.76277317 # 41 Untitled_1::C19
0.27477652 0.39174544 0.65775145 # 42 Untitled_1::C20
0.51035649 0.24549767 0.00010735 # 43 Untitled_1::C21
0.47436340 0.24327130 0.57862139 # 44 Untitled_1::C22
0.71892925 0.80365964 0.69338920 # 45 Untitled_1::C1
0.62813917 0.86111214 0.70159601 # 46 Untitled_1::C2
0.60871982 0.85693263 0.58500104 # 47 Untitled_1::C3
0.70299707 0.80286990 0.57634751 # 48 Untitled_1::C4
0.72056484 0.69679459 0.72366207 # 49 Untitled_1::C5
0.70871849 0.69660454 0.54493377 # 50 Untitled_1::C6
0.65884990 0.97054053 0.72405925 # 51 Untitled_1::C7
0.62573436 0.96548077 0.55187359 # 52 Untitled_1::C8
0.76989911 0.54967193 0.63143923 # 53 Untitled_1::C9
0.85847023 0.54951741 0.68272010 # 54 Untitled_1::C10
0.91474375 0.46621010 0.67562595 # 55 Untitled_1::C11
0.73037308 0.46587422 0.57626314 # 56 Untitled_1::C12
0.78301605 0.38339324 0.56938069 # 57 Untitled_1::C13
0.87474420 0.38139473 0.61626990 # 58 Untitled_1::C14
0.96990809 0.25132831 0.67425263 # 59 Untitled_1::C15
0.05661429 0.21154327 0.65742226 # 60 Untitled_1::C16
0.10513802 0.16543760 0.73850994 # 61 Untitled_1::C17
0.92753954 0.23661207 0.76530948 # 62 Untitled_1::C18
0.97526924 0.18644761 0.84363414 # 63 Untitled_1::C19
0.06544638 0.15376367 0.83131784 # 64 Untitled_1::C20
0.00824635 0.48098578 0.71570115 # 65 Untitled_1::C21
0.09423800 0.21085850 0.55409747 # 66 Untitled_1::C22
0.60457311 0.48831375 0.99206255 # 67 Untitled_1::C1
0.45708086 0.51314271 0.13991176 # 68 Untitled_1::C2
0.53956619 0.59002523 0.13561683 # 69 Untitled_1::C3
0.60441594 0.58579373 0.04476016 # 70 Untitled_1::C4
0.57207320 0.50020961 0.89466790 # 71 Untitled_1::C5
0.56554984 0.65365260 0.96077479 # 72 Untitled_1::C6
0.46091306 0.46769441 0.23588901 # 73 Untitled_1::C7
0.59361234 0.58016135 0.23648386 # 74 Untitled_1::C8
0.49061350 0.62702945 0.78422775 # 75 Untitled_1::C9
0.49750596 0.58211699 0.68961178 # 76 Untitled_1::C10
0.44620539 0.61675223 0.60390532 # 77 Untitled_1::C11
0.42972520 0.70444664 0.79077447 # 78 Untitled_1::C12
0.38066625 0.74052295 0.70484863 # 79 Untitled_1::C13
0.39093832 0.69855019 0.61065134 # 80 Untitled_1::C14
0.27335671 0.78510748 0.51024439 # 81 Untitled_1::C15
0.27638685 0.88203853 0.47265157 # 82 Untitled_1::C16
0.19158142 0.92455006 0.44233165 # 83 Untitled_1::C17
0.18690525 0.73391818 0.52616647 # 84 Untitled_1::C18
0.10245810 0.77762341 0.49628090 # 85 Untitled_1::C19
0.10489155 0.87097726 0.45098254 # 86 Untitled_1::C20
0.44988350 0.57067526 0.50161050 # 87 Untitled_1::C21
0.37015687 0.94020230 0.46808156 # 88 Untitled_1::C22
0.11873640 0.31686179 0.19266247 # 89 Untitled_1::C1
0.19610203 0.23821026 0.19882308 # 90 Untitled_1::C2
0.16300808 0.20486629 0.08915981 # 91 Untitled_1::C3
0.09328686 0.29036732 0.08056863 # 92 Untitled_1::C4
0.16479719 0.42029630 0.19433449 # 93 Untitled_1::C5
0.13118292 0.37894832 0.02222479 # 94 Untitled_1::C6
0.17187067 0.15073970 0.26577310 # 95 Untitled_1::C7
0.11229514 0.10271172 0.10192498 # 96 Untitled_1::C8
0.21399021 0.54666455 0.06425829 # 97 Untitled_1::C9
0.25605819 0.61208623 0.13942710 # 98 Untitled_1::C10
0.28778365 0.70837990 0.11516532 # 99 Untitled_1::C11
0.21416773 0.57695342 0.96246734 # 100 Untitled_1::C12
0.24725137 0.67263887 0.93808324 # 101 Untitled_1::C13
0.27847856 0.74160144 0.01417290 # 102 Untitled_1::C14
0.33883500 0.89261520 0.92744592 # 103 Untitled_1::C15
0.29736507 0.93498074 0.83844117 # 104 Untitled_1::C16
0.35559119 0.99739990 0.78062175 # 105 Untitled_1::C17
0.43582888 0.91022549 0.95490364 # 106 Untitled_1::C18
0.49297751 0.97049727 0.89548039 # 107 Untitled_1::C19
0.45241644 0.01536016 0.80898166 # 108 Untitled_1::C20
0.33075090 0.77431132 0.20048714 # 109 Untitled_1::C21
0.19449749 0.91326748 0.80168850 # 110 Untitled_1::C22
0.13228955 0.76412589 0.05776523 # 111 Untitled_1::H1
0.85031218 0.09884025 0.61902725 # 112 Untitled_1::H3
0.91887636 0.97720081 0.76733113 # 113 Untitled_1::H5
0.02636782 0.73948166 0.87642329 # 114 Untitled_1::H7
0.90347807 0.02881617 0.04779721 # 115 Untitled_1::H8
0.77566853 0.76332061 0.17313452 # 116 Untitled_1::H10
0.67865582 0.86607852 0.28066564 # 117 Untitled_1::H11
0.43834135 0.25073920 0.31211790 # 118 Untitled_1::H12
0.56148978 0.94664538 0.16704380 # 119 Untitled_1::H14
0.39134843 0.98070253 0.14009760 # 120 Untitled_1::H15
0.32864604 0.12628417 0.21615043 # 121 H_head
0.92258195 0.83037604 0.48109630 # 122 H_tail
0.68323166 0.64387797 0.34116975 # 123 Untitled_1::H1
0.83515364 0.57736005 0.34531619 # 124 Untitled_1::H3
0.92179890 0.69435703 0.21529900 # 125 Untitled_1::H5
0.01426135 0.51090287 0.14296758 # 126 Untitled_1::H7
0.61852094 0.37718030 0.10942632 # 127 Untitled_1::H8
0.82886071 0.33849010 0.89934061 # 128 Untitled_1::H10
0.70040041 0.28465118 0.76393178 # 129 Untitled_1::H11
0.31492619 0.33344162 0.51618945 # 130 Untitled_1::H12
0.38924544 0.35667639 0.89043212 # 131 Untitled_1::H14
0.24821743 0.43065373 0.81126009 # 132 Untitled_1::H15
0.21399915 0.42730154 0.62179217 # 133 H_head
0.12250134 0.55775478 0.40468000 # 134 H_tail
0.78389389 0.84067173 0.73105262 # 135 Untitled_1::H1
0.57576460 0.83097609 0.75249962 # 136 Untitled_1::H3
0.54310146 0.82111047 0.54862224 # 137 Untitled_1::H5
0.75358075 0.84598449 0.53208687 # 138 Untitled_1::H7
0.88887556 0.61532999 0.72385398 # 139 Untitled_1::H8
0.65821300 0.46524917 0.54063600 # 140 Untitled_1::H10
0.75376992 0.31593300 0.53102559 # 141 Untitled_1::H11
0.17406612 0.13726011 0.72746895 # 142 Untitled_1::H12
0.85537161 0.25917476 0.77017667 # 143 Untitled_1::H14
0.94097625 0.17166741 0.91385689 # 144 Untitled_1::H15
0.10213138 0.11499786 0.89306644 # 145 H_head
0.69089941 0.11006330 0.63416642 # 146 H_tail
0.41089411 0.41061116 0.07551275 # 147 Untitled_1::H1
0.38814673 0.53164345 0.10500943 # 148 Untitled_1::H3
0.51644474 0.66680678 0.13504815 # 149 Untitled_1::H5
0.67696226 0.61706888 0.06873415 # 150 Untitled_1::H7
0.54120435 0.51973253 0.68250927 # 151 Untitled_1::H8
0.42398159 0.73917310 0.86377591 # 152 Untitled_1::H10
0.33721731 0.80355191 0.71015922 # 153 Untitled_1::H11
0.19349189 0.00019823 0.41336502 # 154 Untitled_1::H12
0.18666570 0.65987767 0.55929222 # 155 Untitled_1::H14
0.03522097 0.73632472 0.50884647 # 156 Untitled_1::H15
0.04022460 0.90463743 0.42234870 # 157 H_head
0.57716654 0.48894223 0.36050345 # 158 H_tail
0.06431675 0.30842015 0.24773266 # 159 Untitled_1::H1
0.26902592 0.27051284 0.21625816 # 160 Untitled_1::H3
0.21527438 0.20383482 0.03171007 # 161 Untitled_1::H5
0.01911720 0.27008764 0.05356878 # 162 Untitled_1::H7
0.26219800 0.58912924 0.21806011 # 163 Untitled_1::H8
0.18484418 0.52689351 0.90236375 # 164 Untitled_1::H10
0.24218393 0.69544232 0.85914888 # 165 Untitled_1::H11
0.32461083 0.03087695 0.71180454 # 166 Untitled_1::H12
0.46618524 0.87430975 0.02237991 # 167 Untitled_1::H14
0.56942264 0.98219962 0.91567502 # 168 Untitled_1::H15
0.49606399 0.06475801 0.76365662 # 169 H_head
0.09606350 0.00974353 0.22789763 # 170 H_tail
0.03127380 0.87289094 0.19137933 # 171 Untitled_1::O1
0.85018363 0.82716727 0.89210564 # 172 Untitled_1::O2
0.86456701 0.00748366 0.42587142 # 173 Untitled_1::O3
0.96126744 0.79381777 0.67891700 # 174 Untitled_1::O4
0.69012909 0.06420723 0.28115066 # 175 Untitled_1::O5
0.72809964 0.39858455 0.23331114 # 176 Untitled_1::O1
0.83715742 0.62299386 0.03056946 # 177 Untitled_1::O2
0.96485767 0.46340999 0.45731553 # 178 Untitled_1::O3
0.12062136 0.69147815 0.25954144 # 179 Untitled_1::O4
0.52205729 0.26982249 0.78261589 # 180 Untitled_1::O5
0.72321882 0.65872255 0.80690080 # 181 Untitled_1::O1
0.71044581 0.66174034 0.45821961 # 182 Untitled_1::O2
0.68783298 0.00408357 0.80828451 # 183 Untitled_1::O3
0.61970787 0.99364197 0.46293732 # 184 Untitled_1::O4
0.92358593 0.30175018 0.59563241 # 185 Untitled_1::O5
0.56442221 0.43309176 0.81932142 # 186 Untitled_1::O1
0.55418911 0.74219731 0.97035657 # 187 Untitled_1::O2
0.41064053 0.40676567 0.28147423 # 188 Untitled_1::O3
0.66685285 0.64114821 0.26508697 # 189 Untitled_1::O4
0.35795155 0.73872614 0.52054048 # 190 Untitled_1::O5
0.19144904 0.46740750 0.27127624 # 191 Untitled_1::O1
0.12590620 0.38614415 0.92988960 # 192 Untitled_1::O2
0.19073391 0.14430171 0.35703554 # 193 Untitled_1::O3
0.06791502 0.05060996 0.03615748 # 194 Untitled_1::O4
0.28318528 0.84285836 0.99709379 # 195 Untitled_1::O5
0.91307805 0.83862132 0.06071389 # 196 Untitled_1::N1
0.91290440 0.88168935 0.53452664 # 197 Untitled_1::N2
0.80529255 0.40268828 0.07701355 # 198 Untitled_1::N1
0.05877991 0.57344314 0.36849939 # 199 Untitled_1::N2
0.72501476 0.64080150 0.63157319 # 200 Untitled_1::N1
0.65451836 0.02372366 0.63511885 # 201 Untitled_1::N2
0.54222370 0.59622292 0.87309977 # 202 Untitled_1::N1
0.55432820 0.50906168 0.28898644 # 203 Untitled_1::N2
0.17279057 0.45219996 0.09231380 # 204 Untitled_1::N1
0.12314732 0.07749306 0.20364061 # 205 Untitled_1::N2
0.72151378 0.20038702 0.13120671 # 206 Untitled_1::F1
0.86146251 0.19152700 0.06958713 # 207 Untitled_1::F2
0.85274919 0.20465902 0.23386119 # 208 Untitled_1::F3
0.71287004 0.22348526 0.38203402 # 209 Untitled_1::F4
0.73480283 0.18816481 0.63707913 # 210 Untitled_1::F5
0.59632770 0.31876459 0.38184294 # 211 Untitled_1::F6
0.36230742 0.35706189 0.04675706 # 212 Untitled_1::F1
0.44657191 0.18204065 0.95105579 # 213 Untitled_1::F2
0.51075175 0.22972641 0.09985863 # 214 Untitled_1::F3
0.43761359 0.23730729 0.47997877 # 215 Untitled_1::F4
0.48671401 0.14829301 0.60926746 # 216 Untitled_1::F5
0.56386039 0.29005574 0.57738233 # 217 Untitled_1::F6
0.95246461 0.53716066 0.97199942 # 218 Untitled_1::F1
0.04160998 0.56343108 0.76353605 # 219 Untitled_1::F2
0.07620884 0.42091262 0.70740654 # 220 Untitled_1::F3
0.03252604 0.15645333 0.48671241 # 221 Untitled_1::F4
0.17943123 0.16863755 0.55749011 # 222 Untitled_1::F5
0.10705474 0.30283274 0.51181923 # 223 Untitled_1::F6
0.36226191 0.54145818 0.45761081 # 224 Untitled_1::F1
0.50263044 0.48835757 0.50553024 # 225 Untitled_1::F2
0.49247429 0.63516659 0.43530241 # 226 Untitled_1::F3
0.41962107 0.94353645 0.56242010 # 227 Untitled_1::F4
0.35940830 0.03564496 0.43999475 # 228 Untitled_1::F5
0.42811560 0.90105899 0.40247884 # 229 Untitled_1::F6
0.42349192 0.80705675 0.18282478 # 230 Untitled_1::F1
0.33700203 0.72695657 0.29079021 # 231 Untitled_1::F2
0.28234708 0.85718311 0.21267440 # 232 Untitled_1::F3
0.17156544 0.95850001 0.71144064 # 233 Untitled_1::F4
0.13276755 0.94194570 0.86873170 # 234 Untitled_1::F5
0.17218169 0.81352804 0.78377160 # 235 Untitled_1::F6