No title 1.0 11.60079000 0.00000000 0.00000000 0.00000000 30.46772000 0.00000000 0.00000000 0.00000000 16.40601000 Si O H C 147 42 76 17 Selective dynamics Direct 0.92333271 0.34138955 0.13854257 F F F # 1 Si1 0.92333271 0.40484901 0.05520924 F F F # 2 Si2 0.08999938 0.34138955 0.22187590 F F F # 3 Si3 0.08999938 0.40484901 0.97187590 F F F # 4 Si4 0.92542551 0.59584047 0.13516028 T T T # 5 Si5 0.92020165 0.14926698 0.05592892 T T T # 6 Si6 0.09129838 0.59749380 0.21916918 T T T # 7 Si7 0.08687821 0.14922067 0.97125974 T T T # 8 Si8 0.92259061 0.21423243 0.13774254 T T T # 9 Si9 0.92280716 0.53116233 0.05491616 T T T # 10 Si10 0.08924615 0.21420593 0.22280586 T T T # 11 Si11 0.08989968 0.53155614 0.97126181 T T T # 12 Si12 0.92333271 0.46830847 0.13854257 F F F # 13 Si13 0.92333271 0.27793009 0.05520924 F F F # 14 Si14 0.08999938 0.46830847 0.22187590 F F F # 15 Si15 0.08999938 0.27793009 0.97187590 F F F # 16 Si16 0.92333271 0.34138955 0.47187590 F F F # 17 Si17 0.92333271 0.40484901 0.38854257 F F F # 18 Si18 0.08999938 0.34138955 0.55520924 F F F # 19 Si19 0.08999938 0.40484901 0.30520924 F F F # 20 Si20 0.92962724 0.59594419 0.47122769 T T T # 21 Si21 0.92008058 0.14922246 0.38930352 T T T # 22 Si22 0.09602206 0.59562774 0.55610542 T T T # 23 Si23 0.08672300 0.14921391 0.30461249 T T T # 24 Si24 0.92276746 0.21420682 0.47102410 T T T # 25 Si25 0.92542546 0.53157349 0.38859465 T T T # 26 Si26 0.08939585 0.21421319 0.55610239 T T T # 27 Si27 0.09173134 0.53284290 0.30338340 T T T # 28 Si28 0.92333271 0.46830847 0.47187590 F F F # 29 Si29 0.92333271 0.27793009 0.38854257 F F F # 30 Si30 0.08999938 0.46830847 0.55520924 F F F # 31 Si31 0.08999938 0.27793009 0.30520924 F F F # 32 Si32 0.92333271 0.34138955 0.80520924 F F F # 33 Si33 0.92333271 0.40484901 0.72187590 F F F # 34 Si34 0.08999938 0.34138955 0.88854257 F F F # 35 Si35 0.08999938 0.40484901 0.63854257 F F F # 36 Si36 0.92724473 0.59663424 0.80482450 T T T # 37 Si37 0.92002357 0.14923931 0.72257520 T T T # 38 Si38 0.09287572 0.59647031 0.89038674 T T T # 39 Si39 0.08668390 0.14929922 0.63792107 T T T # 40 Si40 0.92303829 0.21420049 0.80438197 T T T # 41 Si41 0.92434149 0.53180172 0.72284851 T T T # 42 Si42 0.08971098 0.21420568 0.88947990 T T T # 43 Si43 0.09209540 0.53160420 0.63910542 T T T # 44 Si44 0.92333271 0.46830847 0.80520924 F F F # 45 Si45 0.92333271 0.27793009 0.72187590 F F F # 46 Si46 0.08999938 0.46830847 0.88854257 F F F # 47 Si47 0.08999938 0.27793009 0.63854257 F F F # 48 Si48 0.25666604 0.34138955 0.13854257 F F F # 49 Si49 0.25666604 0.40484901 0.05520924 F F F # 50 Si50 0.42333271 0.34138955 0.22187590 F F F # 51 Si51 0.42333271 0.40484901 0.97187590 F F F # 52 Si52 0.25872156 0.59653486 0.13630342 T T T # 53 Si53 0.25352455 0.14924654 0.05592885 T T T # 54 Si54 0.42404216 0.59704887 0.22194029 T T T # 55 Si55 0.42020560 0.14920870 0.97126876 T T T # 56 Si56 0.25590628 0.21421966 0.13770900 T T T # 57 Si57 0.25673717 0.53150005 0.05585175 T T T # 58 Si58 0.42253567 0.21421412 0.22280370 T T T # 59 Si59 0.42412511 0.53115902 0.97257828 T T T # 60 Si60 0.25666604 0.46830847 0.13854257 F F F # 61 Si61 0.25666604 0.27793009 0.05520924 F F F # 62 Si62 0.42333271 0.46830847 0.22187590 F F F # 63 Si63 0.42333271 0.27793009 0.97187590 F F F # 64 Si64 0.25666604 0.34138955 0.47187590 F F F # 65 Si65 0.25666604 0.40484901 0.38854257 F F F # 66 Si66 0.42333271 0.34138955 0.55520924 F F F # 67 Si67 0.42333271 0.40484901 0.30520924 F F F # 68 Si68 0.26452060 0.59645241 0.47260036 T T T # 69 Si69 0.25340492 0.14924479 0.38926559 T T T # 70 Si70 0.43330972 0.60404546 0.55306804 T T T # 71 Si71 0.42006906 0.14922960 0.30461150 T T T # 72 Si72 0.25606243 0.21421688 0.47102328 T T T # 73 Si73 0.25794681 0.53246652 0.38909837 T T T # 74 Si74 0.42276897 0.21425112 0.55598982 T T T # 75 Si75 0.42413710 0.53201690 0.30365035 T T T # 76 Si76 0.25666604 0.46830847 0.47187590 F F F # 77 Si77 0.25666604 0.27793009 0.38854257 F F F # 78 Si78 0.42333271 0.46830847 0.55520924 F F F # 79 Si79 0.42333271 0.27793009 0.30520924 F F F # 80 Si80 0.25666604 0.34138955 0.80520924 F F F # 81 Si81 0.25666604 0.40484901 0.72187590 F F F # 82 Si82 0.42333271 0.34138955 0.88854257 F F F # 83 Si83 0.42333271 0.40484901 0.63854257 F F F # 84 Si84 0.26033472 0.59682942 0.80740003 T T T # 85 Si85 0.25335465 0.14924545 0.72257554 T T T # 86 Si86 0.42589168 0.59580539 0.89206964 T T T # 87 Si87 0.42002513 0.14935415 0.63792562 T T T # 88 Si88 0.25637155 0.21419802 0.80439378 T T T # 89 Si89 0.25963101 0.53254981 0.72328317 T T T # 90 Si90 0.42304289 0.21419516 0.88949923 T T T # 91 Si91 0.42556540 0.53553738 0.63663257 T T T # 92 Si92 0.25666604 0.46830847 0.80520924 F F F # 93 Si93 0.25666604 0.27793009 0.72187590 F F F # 94 Si94 0.42333271 0.46830847 0.88854257 F F F # 95 Si95 0.42333271 0.27793009 0.63854257 F F F # 96 Si96 0.58999938 0.34138955 0.13854257 F F F # 97 Si97 0.58999938 0.40484901 0.05520924 F F F # 98 Si98 0.75666604 0.34138955 0.22187590 F F F # 99 Si99 0.75666604 0.40484901 0.97187590 F F F # 100 Si100 0.59255270 0.59721756 0.13871397 T T T # 101 Si101 0.58686564 0.14926988 0.05592743 T T T # 102 Si102 0.76112140 0.59657774 0.22142520 T T T # 103 Si103 0.75355085 0.14923967 0.97125727 T T T # 104 Si104 0.58925291 0.21423590 0.13775213 T T T # 105 Si105 0.59067461 0.53206608 0.05701483 T T T # 106 Si106 0.75589785 0.21421340 0.22282439 T T T # 107 Si107 0.75645913 0.53177748 0.97081424 T T T # 108 Si108 0.58999938 0.46830847 0.13854257 F F F # 109 Si109 0.58999938 0.27793009 0.05520924 F F F # 110 Si110 0.75666604 0.46830847 0.22187590 F F F # 111 Si111 0.75666604 0.27793009 0.97187590 F F F # 112 Si112 0.58999938 0.34138955 0.47187590 F F F # 113 Si113 0.58999938 0.40484901 0.38854257 F F F # 114 Si114 0.75666604 0.34138955 0.55520924 F F F # 115 Si115 0.75666604 0.40484901 0.30520924 F F F # 116 Si116 0.59610374 0.59525285 0.46757290 T T T # 117 Si117 0.58674346 0.14925403 0.38928060 T T T # 118 Si118 0.76139291 0.59486620 0.55418062 T T T # 119 Si119 0.75340865 0.14923194 0.30462908 T T T # 120 Si120 0.58949557 0.21422102 0.47100243 T T T # 121 Si121 0.59208966 0.53087793 0.38707560 T T T # 122 Si122 0.75610297 0.21421898 0.55610606 T T T # 123 Si123 0.75879707 0.53177056 0.30347886 T T T # 124 Si124 0.58999938 0.46830847 0.47187590 F F F # 125 Si125 0.58999938 0.27793009 0.38854257 F F F # 126 Si126 0.75666604 0.46830847 0.55520924 F F F # 127 Si127 0.75666604 0.27793009 0.30520924 F F F # 128 Si128 0.58999938 0.34138955 0.80520924 F F F # 129 Si129 0.58999938 0.40484901 0.72187590 F F F # 130 Si130 0.75666604 0.34138955 0.88854257 F F F # 131 Si131 0.75666604 0.40484901 0.63854257 F F F # 132 Si132 0.59115353 0.59534323 0.80682078 T T T # 133 Si133 0.58671782 0.14924195 0.72256850 T T T # 134 Si134 0.75956734 0.59667820 0.88886781 T T T # 135 Si135 0.75336474 0.14931307 0.63790583 T T T # 136 Si136 0.58967302 0.21419457 0.80437751 T T T # 137 Si137 0.59021075 0.53157804 0.72270462 T T T # 138 Si138 0.75636496 0.21421465 0.88945579 T T T # 139 Si139 0.75759980 0.53123049 0.63812532 T T T # 140 Si140 0.58999938 0.46830847 0.80520924 F F F # 141 Si141 0.58999938 0.27793009 0.72187590 F F F # 142 Si142 0.75666604 0.46830847 0.88854257 F F F # 143 Si143 0.75666604 0.27793009 0.63854257 F F F # 144 Si144 0.72437081 0.76833349 0.58236101 T T T # 145 Si145 0.61232774 0.76777252 0.40902697 T T T # 146 Si146 0.47331696 0.72540227 0.56294062 T T T # 147 Si147 0.93127225 0.63900553 0.07000444 T T T # 148 O1 0.91348511 0.10649037 0.12175667 T T T # 149 O2 0.09406639 0.64307180 0.27458580 T T T # 150 O3 0.08009085 0.10644465 0.90545413 T T T # 151 O4 0.93721468 0.63879278 0.40597654 T T T # 152 O5 0.91347296 0.10645149 0.45515762 T T T # 153 O6 0.10418660 0.63961309 0.62021557 T T T # 154 O7 0.08016091 0.10646510 0.23873294 T T T # 155 O8 0.93581847 0.63924753 0.73827716 T T T # 156 O9 0.91337631 0.10642693 0.78830812 T T T # 157 O10 0.09844959 0.63947233 0.95571627 T T T # 158 O11 0.08007696 0.10653247 0.57204734 T T T # 159 O12 0.26673256 0.63938716 0.07046158 T T T # 160 O13 0.24682066 0.10647826 0.12176651 T T T # 161 O14 0.42684097 0.63975733 0.28793432 T T T # 162 O15 0.41345582 0.10643126 0.90546242 T T T # 163 O16 0.26706720 0.64015317 0.40835849 T T T # 164 O17 0.24679734 0.10649643 0.45517141 T T T # 165 O18 0.44378216 0.65511920 0.59154940 T T T # 166 O19 0.41351653 0.10648235 0.23872982 T T T # 167 O20 0.27158179 0.64133903 0.74874269 T T T # 168 O21 0.24676255 0.10641529 0.78827564 T T T # 169 O22 0.43432150 0.63900434 0.95689773 T T T # 170 O23 0.41342531 0.10661664 0.57198668 T T T # 171 O24 0.59996317 0.63980971 0.07244043 T T T # 172 O25 0.58019309 0.10650772 0.12178458 T T T # 173 O26 0.77253327 0.63956901 0.28618874 T T T # 174 O27 0.74674556 0.10646207 0.90545564 T T T # 175 O28 0.60341409 0.63825131 0.40118972 T T T # 176 O29 0.58014314 0.10650166 0.45518939 T T T # 177 O30 0.76486122 0.63648767 0.62346383 T T T # 178 O31 0.74686454 0.10649203 0.23871862 T T T # 179 O32 0.59599998 0.63854927 0.74131687 T T T # 180 O33 0.58005731 0.10640697 0.78826009 T T T # 181 O34 0.76516970 0.63980708 0.95405171 T T T # 182 O35 0.74674450 0.10655613 0.57200846 T T T # 183 O36 0.58853664 0.82134261 0.39548196 T T T # 184 O37 0.39693561 0.75586938 0.62457254 T T T # 185 O38 0.70026667 0.81958485 0.60612763 T T T # 186 O39 0.21311733 0.70432207 0.50280486 T T T # 187 O40 0.64591783 0.74377772 0.32202238 T T T # 188 O41 0.84874873 0.75730830 0.62615145 T T T # 189 O42 0.86604358 0.64147674 0.03011507 T T T # 190 H1 0.97881252 0.10420836 0.16156363 T T T # 191 H2 0.04679168 0.64325597 0.32484410 T T T # 192 H3 0.14537474 0.10412697 0.86564427 T T T # 193 H4 0.87487660 0.64046865 0.36367433 T T T # 194 H5 0.97877889 0.10421892 0.49501153 T T T # 195 H6 0.04143141 0.64154967 0.66232804 T T T # 196 H7 0.14547134 0.10423247 0.19888592 T T T # 197 H8 0.87035271 0.64111971 0.69855489 T T T # 198 H9 0.97867475 0.10414688 0.82812454 T T T # 199 H10 0.03302393 0.64156726 0.99572517 T T T # 200 H11 0.14542319 0.10427859 0.53224184 T T T # 201 H12 0.20090807 0.64194872 0.03098353 T T T # 202 H13 0.31214120 0.10420146 0.16157949 T T T # 203 H14 0.35780539 0.64265856 0.32463030 T T T # 204 H15 0.47872989 0.10412949 0.86563621 T T T # 205 H16 0.23888744 0.66782135 0.43381925 T T T # 206 H17 0.31210972 0.10428029 0.49502765 T T T # 207 H18 0.21089835 0.68405611 0.55043348 T T T # 208 H19 0.47882202 0.10426769 0.19887395 T T T # 209 H20 0.21994554 0.64273174 0.70095399 T T T # 210 H21 0.31204001 0.10414538 0.82811149 T T T # 211 H22 0.36837932 0.64154610 0.99647269 T T T # 212 H23 0.47879468 0.10436332 0.53218784 T T T # 213 H24 0.53467690 0.64165746 0.03225872 T T T # 214 H25 0.64551453 0.10424999 0.16160652 T T T # 215 H26 0.70673573 0.64329352 0.32517615 T T T # 216 H27 0.81202612 0.10414801 0.86563476 T T T # 217 H28 0.53578286 0.64069868 0.36344170 T T T # 218 H29 0.64545496 0.10429423 0.49505449 T T T # 219 H30 0.69827327 0.63703013 0.66242126 T T T # 220 H31 0.81217394 0.10429279 0.19885910 T T T # 221 H32 0.52435058 0.64638291 0.71220055 T T T # 222 H33 0.64533675 0.10413742 0.82809587 T T T # 223 H34 0.70031344 0.64185980 0.99429058 T T T # 224 H35 0.81211594 0.10429297 0.53222373 T T T # 225 H36 0.79207560 0.76067504 0.74785155 T T T # 226 H37 0.92953175 0.73688179 0.72968145 T T T # 227 H38 0.95193450 0.81059081 0.79186923 T T T # 228 H39 0.86856536 0.83488698 0.71166392 T T T # 229 H40 0.00589334 0.81155576 0.68969863 T T T # 230 H41 0.26426088 0.79476169 0.58048968 T T T # 231 H42 0.22221241 0.74671806 0.63769954 T T T # 232 H43 0.19273392 0.81433690 0.72169284 T T T # 233 H44 0.34179179 0.82848995 0.70888344 T T T # 234 H45 0.30109391 0.78026429 0.76578925 T T T # 235 H46 0.29217985 0.76821687 0.46644867 T T T # 236 H47 0.39254877 0.81174039 0.46512867 T T T # 237 H48 0.27029507 0.81131221 0.34092322 T T T # 238 H49 0.31704035 0.75729377 0.31605438 T T T # 239 H50 0.41587407 0.80227025 0.31416909 T T T # 240 H51 0.53355998 0.72654921 0.22958442 T T T # 241 H52 0.55461684 0.78417045 0.24179568 T T T # 242 H53 0.65878469 0.75534400 0.11868948 T T T # 243 H54 0.74068036 0.71928790 0.18200149 T T T # 244 H55 0.75770758 0.77726538 0.19177848 T T T # 245 H56 0.03397195 0.70423236 0.51909082 T T T # 246 H57 0.10566574 0.75488391 0.54564998 T T T # 247 H58 0.99239311 0.75994372 0.41978802 T T T # 248 H59 0.07767000 0.71797670 0.37263173 T T T # 249 H60 0.14173206 0.77016268 0.40076594 T T T # 250 H61 0.75105052 0.84875238 0.41369246 T T T # 251 H62 0.71508979 0.83772246 0.30887409 T T T # 252 H63 0.70688998 0.91791012 0.33704429 T T T # 253 H64 0.60414062 0.90834485 0.41700833 T T T # 254 H65 0.56704976 0.89739097 0.31238738 T T T # 255 H66 0.56208634 0.84706027 0.54224123 T T T # 256 H67 0.53283439 0.83254320 0.64614914 T T T # 257 H68 0.67257910 0.89011247 0.69416517 T T T # 258 H69 0.55975903 0.91308157 0.63175523 T T T # 259 H70 0.70196006 0.90427488 0.59036794 T T T # 260 H71 0.77134060 0.72494592 0.46465039 T T T # 261 H72 0.81200230 0.78025881 0.44780484 T T T # 262 H73 0.45234488 0.71671549 0.41458851 T T T # 263 H74 0.65541575 0.69772565 0.60738074 T T T # 264 H75 0.58856390 0.73225562 0.68153556 T T T # 265 H76 0.74329379 0.75916589 0.47212032 T T T # 266 C1 0.46869309 0.74598002 0.45233937 T T T # 267 C2 0.61135206 0.72897300 0.61680790 T T T # 268 C3 0.87177374 0.76377827 0.71128021 T T T # 269 C4 0.92773222 0.80799955 0.72709371 T T T # 270 C5 0.28421245 0.77417709 0.63444535 T T T # 271 C6 0.28000571 0.80093626 0.71247251 T T T # 272 C7 0.37045589 0.78009240 0.43680497 T T T # 273 C8 0.34242480 0.78794254 0.34674307 T T T # 274 C9 0.59869820 0.75199542 0.24278023 T T T # 275 C10 0.69495696 0.75089120 0.18008589 T T T # 276 C11 0.10308971 0.72742807 0.50197924 T T T # 277 C12 0.07850467 0.74466823 0.41753715 T T T # 278 C13 0.68072473 0.84962526 0.36797686 T T T # 279 C14 0.63681750 0.89619653 0.35804842 T T T # 280 C15 0.59908959 0.84609024 0.60449090 T T T # 281 C16 0.63542525 0.89142890 0.63223363 T T T # 282 C17