No title 1.0 15.46772000 0.00000000 0.00000000 0.00000000 28.46772000 0.00000000 0.00000000 0.00000000 16.40601000 Si O H C 193 52 68 8 Selective dynamics Direct 0.99076389 0.36877332 0.27049496 F F F # 1 Si1 0.99076389 0.43669113 0.18716162 F F F # 2 Si2 0.11576389 0.36877332 0.35382829 F F F # 3 Si3 0.11576389 0.43669113 0.10382829 F F F # 4 Si4 0.99203992 0.64135507 0.26785056 T T T # 5 Si5 0.99258353 0.16312708 0.18769406 T T T # 6 Si6 0.11721670 0.64291666 0.35056174 T T T # 7 Si7 0.11758121 0.16312964 0.10314192 T T T # 8 Si8 0.99084080 0.23266394 0.26953801 F F F # 9 Si9 0.99031566 0.57214511 0.18699282 T T T # 10 Si10 0.11586367 0.23274105 0.35446794 F F F # 11 Si11 0.11532062 0.57239694 0.10244501 T T T # 12 Si12 0.99076389 0.50460893 0.27049496 F F F # 13 Si13 0.99076389 0.30085552 0.18716162 F F F # 14 Si14 0.11576389 0.50460893 0.35382829 F F F # 15 Si15 0.11576389 0.30085552 0.10382829 F F F # 16 Si16 0.99076389 0.36877332 0.60382829 F F F # 17 Si17 0.99076389 0.43669113 0.52049496 F F F # 18 Si18 0.11576389 0.36877332 0.68716162 F F F # 19 Si19 0.11576389 0.43669113 0.43716162 F F F # 20 Si20 0.99457999 0.64202228 0.60318795 T T T # 21 Si21 0.99285170 0.16320290 0.52093166 T T T # 22 Si22 0.11833425 0.64103657 0.68893694 T T T # 23 Si23 0.11782821 0.16324368 0.43638091 T T T # 24 Si24 0.99080057 0.23265878 0.60292350 F F F # 25 Si25 0.49061813 0.57506878 0.52228134 T T T # 26 Si26 0.11578469 0.23268410 0.68791429 F F F # 27 Si27 0.11627799 0.57386472 0.43540361 T T T # 28 Si28 0.99076389 0.50460893 0.60382829 F F F # 29 Si29 0.99076389 0.30085552 0.52049496 F F F # 30 Si30 0.11576389 0.50460893 0.68716162 F F F # 31 Si31 0.11576389 0.30085552 0.43716162 F F F # 32 Si32 0.99076389 0.36877332 0.93716162 F F F # 33 Si33 0.99076389 0.43669113 0.85382829 F F F # 34 Si34 0.11576389 0.36877332 0.02049496 F F F # 35 Si35 0.11576389 0.43669113 0.77049496 F F F # 36 Si36 0.99253481 0.64186834 0.93640411 T T T # 37 Si37 0.99280200 0.16322125 0.85431655 T T T # 38 Si38 0.11710666 0.64199106 0.02115410 T T T # 39 Si39 0.11782715 0.16319426 0.76977335 T T T # 40 Si40 0.99082784 0.23266875 0.93636364 F F F # 41 Si41 0.49195149 0.57242080 0.85587472 T T T # 42 Si42 0.11580644 0.23268034 0.02132679 F F F # 43 Si43 0.11590745 0.57212603 0.77070650 T T T # 44 Si44 0.99076389 0.50460893 0.93716162 F F F # 45 Si45 0.99076389 0.30085552 0.85382829 F F F # 46 Si46 0.11576389 0.50460893 0.02049496 F F F # 47 Si47 0.11576389 0.30085552 0.77049496 F F F # 48 Si48 0.24076389 0.36877332 0.27049496 F F F # 49 Si49 0.24076389 0.43669113 0.18716162 F F F # 50 Si50 0.36576389 0.36877332 0.35382829 F F F # 51 Si51 0.36576389 0.43669113 0.10382829 F F F # 52 Si52 0.24182121 0.64086670 0.26617165 T T T # 53 Si53 0.24258146 0.16313186 0.18769214 T T T # 54 Si54 0.36480659 0.64245606 0.35211302 T T T # 55 Si55 0.36757466 0.16313548 0.10313799 T T T # 56 Si56 0.24085431 0.23266346 0.26954323 F F F # 57 Si57 0.24056122 0.57180289 0.18596728 T T T # 58 Si58 0.36586606 0.23274035 0.35447136 F F F # 59 Si59 0.36618654 0.57248151 0.10268418 T T T # 60 Si60 0.24076389 0.50460893 0.27049496 F F F # 61 Si61 0.24076389 0.30085552 0.18716162 F F F # 62 Si62 0.36576389 0.50460893 0.35382829 F F F # 63 Si63 0.36576389 0.30085552 0.10382829 F F F # 64 Si64 0.24076389 0.36877332 0.60382829 F F F # 65 Si65 0.24076389 0.43669113 0.52049496 F F F # 66 Si66 0.36576389 0.36877332 0.68716162 F F F # 67 Si67 0.36576389 0.43669113 0.43716162 F F F # 68 Si68 0.24485641 0.64126513 0.60697918 T T T # 69 Si69 0.24285050 0.16323868 0.52094661 T T T # 70 Si70 0.36785636 0.63994494 0.69319025 T T T # 71 Si71 0.36780902 0.16326039 0.43637325 T T T # 72 Si72 0.24080861 0.23267595 0.60297968 F F F # 73 Si73 0.24116454 0.57331175 0.52099234 T T T # 74 Si74 0.36583015 0.23267419 0.68792103 F F F # 75 Si75 0.36624558 0.57346800 0.43590957 T T T # 76 Si76 0.24076389 0.50460893 0.60382829 F F F # 77 Si77 0.24076389 0.30085552 0.52049496 F F F # 78 Si78 0.36576389 0.50460893 0.68716162 F F F # 79 Si79 0.36576389 0.30085552 0.43716162 F F F # 80 Si80 0.24076389 0.36877332 0.93716162 F F F # 81 Si81 0.24076389 0.43669113 0.85382829 F F F # 82 Si82 0.36576389 0.36877332 0.02049496 F F F # 83 Si83 0.36576389 0.43669113 0.77049496 F F F # 84 Si84 0.24240145 0.64186944 0.93757241 T T T # 85 Si85 0.24279982 0.16324083 0.85432846 T T T # 86 Si86 0.36797913 0.64208418 0.02127918 T T T # 87 Si87 0.36782431 0.16318313 0.76977414 T T T # 88 Si88 0.24082709 0.23267631 0.93641268 F F F # 89 Si89 0.24069769 0.57245706 0.85559496 T T T # 90 Si90 0.36582925 0.23268220 0.02132607 F F F # 91 Si91 0.36667231 0.57117925 0.77289367 T T T # 92 Si92 0.24076389 0.50460893 0.93716162 F F F # 93 Si93 0.24076389 0.30085552 0.85382829 F F F # 94 Si94 0.36576389 0.50460893 0.02049496 F F F # 95 Si95 0.36576389 0.30085552 0.77049496 F F F # 96 Si96 0.49076389 0.36877332 0.27049496 F F F # 97 Si98 0.49076389 0.43669113 0.18716162 F F F # 98 Si99 0.61576389 0.36877332 0.35382829 F F F # 99 Si100 0.61576389 0.43669113 0.10382829 F F F # 100 Si101 0.49149930 0.64247373 0.26978474 T T T # 101 Si102 0.49258423 0.16314563 0.18765723 T T T # 102 Si103 0.61852446 0.64131917 0.35134365 T T T # 103 Si104 0.61758799 0.16313615 0.10313447 T T T # 104 Si105 0.49084080 0.23266394 0.26953801 F F F # 105 Si106 0.49087997 0.57278535 0.18810579 T T T # 106 Si107 0.61586367 0.23274105 0.35446794 F F F # 107 Si108 0.61576486 0.57255634 0.10296804 T T T # 108 Si109 0.49076389 0.50460893 0.27049496 F F F # 109 Si110 0.49076389 0.30085552 0.18716162 F F F # 110 Si111 0.61576389 0.50460893 0.35382829 F F F # 111 Si112 0.61576389 0.30085552 0.10382829 F F F # 112 Si113 0.49076389 0.36877332 0.60382829 F F F # 113 Si114 0.49076389 0.43669113 0.52049496 F F F # 114 Si115 0.61576389 0.36877332 0.68716162 F F F # 115 Si116 0.61576389 0.43669113 0.43716162 F F F # 116 Si117 0.49168308 0.64435846 0.60899068 T T T # 117 Si118 0.49285050 0.16323519 0.52088301 T T T # 118 Si119 0.61901345 0.64157671 0.68982130 T T T # 119 Si120 0.61785507 0.16327007 0.43639016 T T T # 120 Si121 0.49080057 0.23265878 0.60292350 F F F # 121 Si122 0.99152555 0.57274359 0.52087956 T T T # 122 Si123 0.61578469 0.23268410 0.68791429 F F F # 123 Si124 0.61532620 0.57312794 0.43659592 T T T # 124 Si125 0.49076389 0.50460893 0.60382829 F F F # 125 Si126 0.49076389 0.30085552 0.52049496 F F F # 126 Si127 0.61576389 0.50460893 0.68716162 F F F # 127 Si128 0.61576389 0.30085552 0.43716162 F F F # 128 Si129 0.49076389 0.36877332 0.93716162 F F F # 129 Si130 0.49076389 0.43669113 0.85382829 F F F # 130 Si131 0.61576389 0.36877332 0.02049496 F F F # 131 Si132 0.61576389 0.43669113 0.77049496 F F F # 132 Si133 0.49309511 0.64206263 0.93713295 T T T # 133 Si134 0.49279554 0.16323311 0.85430872 T T T # 134 Si135 0.61806096 0.64203411 0.02128783 T T T # 135 Si136 0.61782963 0.16320288 0.76978670 T T T # 136 Si137 0.49082784 0.23266875 0.93636364 F F F # 137 Si138 0.99072117 0.57244622 0.85478049 T T T # 138 Si139 0.61580644 0.23268034 0.02132679 F F F # 139 Si140 0.61637292 0.57211018 0.77053985 T T T # 140 Si141 0.49076389 0.50460893 0.93716162 F F F # 141 Si142 0.49076389 0.30085552 0.85382829 F F F # 142 Si143 0.61576389 0.50460893 0.02049496 F F F # 143 Si144 0.61576389 0.30085552 0.77049496 F F F # 144 Si145 0.74076389 0.36877332 0.27049496 F F F # 145 Si146 0.74076389 0.43669113 0.18716162 F F F # 146 Si147 0.86576389 0.36877332 0.35382829 F F F # 147 Si148 0.86576389 0.43669113 0.10382829 F F F # 148 Si149 0.74345227 0.64082685 0.26786724 T T T # 149 Si150 0.74258538 0.16313791 0.18767471 T T T # 150 Si151 0.86794934 0.64169675 0.35346973 T T T # 151 Si152 0.86759080 0.16313062 0.10313585 T T T # 152 Si153 0.74085431 0.23266346 0.26954323 F F F # 153 Si154 0.74152981 0.57193147 0.18643421 T T T # 154 Si155 0.86586606 0.23274035 0.35447136 F F F # 155 Si156 0.86611547 0.57231047 0.10213308 T T T # 156 Si157 0.74076389 0.50460893 0.27049496 F F F # 157 Si158 0.74076389 0.30085552 0.18716162 F F F # 158 Si159 0.86576389 0.50460893 0.35382829 F F F # 159 Si160 0.86576389 0.30085552 0.10382829 F F F # 160 Si161 0.74076389 0.36877332 0.60382829 F F F # 161 Si162 0.74076389 0.43669113 0.52049496 F F F # 162 Si163 0.86576389 0.36877332 0.68716162 F F F # 163 Si164 0.86576389 0.43669113 0.43716162 F F F # 164 Si165 0.74328935 0.64158045 0.60413666 T T T # 165 Si166 0.74287096 0.16323215 0.52095915 T T T # 166 Si167 0.86904437 0.64208954 0.68750159 T T T # 167 Si168 0.86782889 0.16324138 0.43637264 T T T # 168 Si169 0.74080861 0.23267595 0.60297968 F F F # 169 Si170 0.74090029 0.57261633 0.52113288 T T T # 170 Si171 0.86583015 0.23267419 0.68792103 F F F # 171 Si172 0.86609830 0.57267817 0.43640502 T T T # 172 Si173 0.74076389 0.50460893 0.60382829 F F F # 173 Si174 0.74076389 0.30085552 0.52049496 F F F # 174 Si175 0.86576389 0.50460893 0.68716162 F F F # 175 Si176 0.86576389 0.30085552 0.43716162 F F F # 176 Si177 0.74076389 0.36877332 0.93716162 F F F # 177 Si178 0.74076389 0.43669113 0.85382829 F F F # 178 Si179 0.86576389 0.36877332 0.02049496 F F F # 179 Si180 0.86576389 0.43669113 0.77049496 F F F # 180 Si181 0.74307305 0.64190379 0.93666543 T T T # 181 Si182 0.74280483 0.16324089 0.85433580 T T T # 182 Si183 0.86771872 0.64183501 0.02084652 T T T # 183 Si184 0.86782555 0.16317701 0.76978126 T T T # 184 Si185 0.74082709 0.23267631 0.93641268 F F F # 185 Si186 0.74139881 0.57252839 0.85474678 T T T # 186 Si187 0.86582925 0.23268220 0.02132607 F F F # 187 Si188 0.86620745 0.57268964 0.76953278 T T T # 188 Si189 0.74076389 0.50460893 0.93716162 F F F # 189 Si190 0.74076389 0.30085552 0.85382829 F F F # 190 Si191 0.86576389 0.50460893 0.02049496 F F F # 191 Si192 0.86576389 0.30085552 0.77049496 F F F # 192 Si193 0.48200231 0.75903408 0.55805064 T T T # 193 Si194 0.99781705 0.11735036 0.25349755 T T T # 194 O1 0.12281009 0.11736864 0.03730972 T T T # 195 O2 0.99797331 0.11736610 0.58665362 T T T # 196 O3 0.12286240 0.11745337 0.37057215 T T T # 197 O4 0.99786483 0.11740177 0.92005938 T T T # 198 O5 0.12298717 0.11741433 0.70395554 T T T # 199 O6 0.24782730 0.11734746 0.25349314 T T T # 200 O7 0.37278787 0.11736763 0.03730756 T T T # 201 O8 0.24798666 0.11741572 0.58669702 T T T # 202 O9 0.37282000 0.11747151 0.37055129 T T T # 203 O10 0.24785508 0.11741063 0.92006244 T T T # 204 O11 0.37296080 0.11737735 0.70398111 T T T # 205 O12 0.99665656 0.68718356 0.20198408 T T T # 206 O13 0.12142480 0.69197149 0.40492764 T T T # 207 O14 0.00268280 0.68798598 0.53880886 T T T # 208 O15 0.12240444 0.68697677 0.75498948 T T T # 209 O16 0.99757959 0.68773756 0.87070404 T T T # 210 O17 0.12131975 0.68808432 0.08606515 T T T # 211 O18 0.24803516 0.68689404 0.20052978 T T T # 212 O19 0.36366492 0.68957234 0.41210030 T T T # 213 O20 0.25118434 0.68757655 0.54478728 T T T # 214 O21 0.37178144 0.68651393 0.75806858 T T T # 215 O22 0.24652640 0.68781286 0.87181754 T T T # 216 O23 0.37297376 0.68790268 0.08676927 T T T # 217 O24 0.49780176 0.11737082 0.25349396 T T T # 218 O29 0.62277289 0.11736277 0.03731691 T T T # 219 O30 0.49793457 0.11743115 0.58669020 T T T # 220 O31 0.62280030 0.11747613 0.37056770 T T T # 221 O32 0.49782993 0.11741111 0.92006480 T T T # 222 O33 0.62293810 0.11740387 0.70398252 T T T # 223 O34 0.74778291 0.11735015 0.25347301 T T T # 224 O35 0.87278848 0.11736753 0.03730888 T T T # 225 O36 0.74792264 0.11737683 0.58665892 T T T # 226 O37 0.87279909 0.11743677 0.37058537 T T T # 227 O38 0.74782280 0.11740451 0.92005387 T T T # 228 O39 0.87294061 0.11737708 0.70400102 T T T # 229 O40 0.49788189 0.68818000 0.20363471 T T T # 230 O41 0.63371514 0.68709093 0.41455797 T T T # 231 O42 0.48788739 0.69471589 0.55652146 T T T # 232 O43 0.62574000 0.68664235 0.75724180 T T T # 233 O44 0.49814747 0.68786992 0.87141806 T T T # 234 O45 0.62290997 0.68786045 0.08699692 T T T # 235 O46 0.74820260 0.68727198 0.20314186 T T T # 236 O47 0.87408854 0.68740336 0.41939523 T T T # 237 O48 0.74721097 0.68720912 0.53805340 T T T # 238 O49 0.87340508 0.68794083 0.75345565 T T T # 239 O50 0.74908581 0.68777489 0.87133839 T T T # 240 O51 0.87198982 0.68784401 0.08603265 T T T # 241 O52 0.39354866 0.78132691 0.53689976 T T T # 242 O53 0.52067397 0.77078629 0.64339278 T T T # 243 O54 0.54929593 0.77008454 0.48212787 T T T # 244 O55 0.25069553 0.78169753 0.60684353 T T T # 245 O56 0.44883992 0.11490486 0.29331327 T T T # 246 H1 0.07387102 0.11485374 0.99748853 T T T # 247 H2 0.44899582 0.11499188 0.62652844 T T T # 248 H3 0.07387418 0.11495140 0.33078977 T T T # 249 H4 0.44886818 0.11492797 0.95986152 T T T # 250 H5 0.07403685 0.11492203 0.66414782 T T T # 251 H6 0.19886368 0.11484970 0.29330432 T T T # 252 H7 0.32385320 0.11487314 0.99747410 T T T # 253 H8 0.19903695 0.11494534 0.62651360 T T T # 254 H9 0.32384421 0.11500131 0.33073820 T T T # 255 H10 0.19888487 0.11490492 0.95984428 T T T # 256 H11 0.32402644 0.11494075 0.66413721 T T T # 257 H12 0.44890724 0.69066478 0.16377408 T T T # 258 H13 0.08819321 0.69341066 0.45625426 T T T # 259 H14 0.07317761 0.68917935 0.79471507 T T T # 260 H16 0.44900757 0.68981029 0.83141644 T T T # 261 H17 0.07252895 0.69026395 0.12635076 T T T # 262 H18 0.19840677 0.69015206 0.16162927 T T T # 263 H19 0.32022773 0.68982270 0.45695716 T T T # 264 H20 0.32282300 0.68863987 0.79823558 T T T # 265 H22 0.19767286 0.68958725 0.83160472 T T T # 266 H23 0.32376064 0.68995411 0.12684137 T T T # 267 H24 0.15678913 0.78167521 0.69185883 T T T # 268 H35 0.19142395 0.86574569 0.66017626 T T T # 269 H38 0.94885444 0.11483581 0.29329683 T T T # 270 H45 0.57384821 0.11487690 0.99747420 T T T # 271 H46 0.94903249 0.11488097 0.62646171 T T T # 272 H47 0.57384115 0.11504309 0.33073178 T T T # 273 H48 0.94889266 0.11488156 0.95982949 T T T # 274 H49 0.57401304 0.11498714 0.66413363 T T T # 275 H50 0.69883850 0.11488210 0.29330270 T T T # 276 H51 0.82385825 0.11485827 0.99748084 T T T # 277 H52 0.69901225 0.11495014 0.62651973 T T T # 278 H53 0.82384260 0.11497117 0.33076442 T T T # 279 H54 0.69886910 0.11490806 0.95985014 T T T # 280 H55 0.82401466 0.11491077 0.66416994 T T T # 281 H56 0.94756147 0.68984337 0.16234122 T T T # 282 H57 0.59195155 0.71060625 0.43104036 T T T # 283 H58 0.95596113 0.69062539 0.49712415 T T T # 284 H59 0.57566259 0.68973335 0.79567878 T T T # 285 H60 0.94870991 0.69019848 0.83070768 T T T # 286 H61 0.57392815 0.69025485 0.12688575 T T T # 287 H62 0.69902442 0.68983580 0.16355204 T T T # 288 H63 0.82604725 0.68966143 0.45994737 T T T # 289 H64 0.32211284 0.77091270 0.58419862 T T T # 290 H65 0.82464321 0.69010626 0.79356337 T T T # 291 H66 0.70032938 0.68967649 0.83077142 T T T # 292 H67 0.82322265 0.69005317 0.12623783 T T T # 293 H68 0.58780989 0.82587490 0.66552773 T T T # 294 H69 0.48451982 0.83500205 0.65332905 T T T # 295 H70 0.52746111 0.84389111 0.79939718 T T T # 296 H71 0.56353315 0.79036845 0.79749254 T T T # 297 H72 0.46084643 0.79994219 0.78642151 T T T # 298 H73 0.64522810 0.79780086 0.53595346 T T T # 299 H74 0.66205666 0.78205220 0.43688443 T T T # 300 H75 0.65772365 0.86292376 0.43697904 T T T # 301 H76 0.56093657 0.85993447 0.48291463 T T T # 302 H77 0.57689907 0.84304848 0.38389133 T T T # 303 H78 0.26176592 0.77328450 0.73125610 T T T # 304 H80 0.20496492 0.85334072 0.76440546 T T T # 305 H81 0.29624989 0.85725988 0.70092920 T T T # 306 H83 0.41558072 0.79873511 0.41585105 T T T # 307 H84 0.31445470 0.77589441 0.43577064 T T T # 308 H85 0.30651114 0.85988513 0.40926818 T T T # 309 H86 0.37711910 0.87078387 0.49199660 T T T # 310 H87 0.27515186 0.84748236 0.51031322 T T T # 311 H88 0.24486119 0.72024519 0.56905651 T T T # 312 H89 0.69983737 0.68751793 0.49608906 T T T # 313 H79 0.52874942 0.81346631 0.67998807 T T T # 314 C9 0.51947919 0.81171261 0.77115965 T T T # 315 C10 0.61948096 0.79776478 0.47653206 T T T # 316 C11 0.60231767 0.84345105 0.44319346 T T T # 317 C12 0.22341784 0.79345975 0.68723487 T T T # 318 C13 0.22945684 0.84545503 0.70376441 T T T # 319 C14 0.36329705 0.79929894 0.45875293 T T T # 320 C15 0.32874329 0.84710183 0.46879057 T T T # 321 C16