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 0.91516093 0.33761318 0.14611755 F F F # 1 Si1 0.91516093 0.40107264 0.06278422 F F F # 2 Si2 0.08182760 0.33761318 0.22945088 F F F # 3 Si3 0.08182760 0.40107264 0.97945088 F F F # 4 Si4 0.91719220 0.59261782 0.14363143 T T T # 5 Si5 0.91206394 0.14549611 0.06340468 T T T # 6 Si6 0.08397981 0.59388499 0.22721813 T T T # 7 Si7 0.07873381 0.14546970 0.97875519 T T T # 8 Si8 0.91443756 0.21045682 0.14523202 T T T # 9 Si9 0.91391426 0.52775467 0.06293389 T T T # 10 Si10 0.08109347 0.21045034 0.23031516 T T T # 11 Si11 0.08079493 0.52773283 0.97907030 T T T # 12 Si12 0.91516093 0.46453210 0.14611755 F F F # 13 Si13 0.91516093 0.27415372 0.06278422 F F F # 14 Si14 0.08182760 0.46453210 0.22945088 F F F # 15 Si15 0.08182760 0.27415372 0.97945088 F F F # 16 Si16 0.91516093 0.33761318 0.47945088 F F F # 17 Si17 0.91516093 0.40107264 0.39611755 F F F # 18 Si18 0.08182760 0.33761318 0.56278422 F F F # 19 Si19 0.08182760 0.40107264 0.31278422 F F F # 20 Si20 0.92174991 0.59332401 0.47901398 T T T # 21 Si21 0.91194331 0.14549368 0.39678140 T T T # 22 Si22 0.08746358 0.59237013 0.56446718 T T T # 23 Si23 0.07858785 0.14546615 0.31209756 T T T # 24 Si24 0.91464820 0.21047895 0.47852059 T T T # 25 Si25 0.91707543 0.52835814 0.39693706 T T T # 26 Si26 0.08127426 0.21048605 0.56359279 T T T # 27 Si27 0.08275650 0.52910611 0.31087645 T T T # 28 Si28 0.91516093 0.46453210 0.47945088 F F F # 29 Si29 0.91516093 0.27415372 0.39611755 F F F # 30 Si30 0.08182760 0.46453210 0.56278422 F F F # 31 Si31 0.08182760 0.27415372 0.31278422 F F F # 32 Si32 0.91516093 0.33761318 0.81278422 F F F # 33 Si33 0.91516093 0.40107264 0.72945088 F F F # 34 Si34 0.08182760 0.33761318 0.89611755 F F F # 35 Si35 0.08182760 0.40107264 0.64611755 F F F # 36 Si36 0.91802055 0.59303587 0.81212400 T T T # 37 Si37 0.91189601 0.14550524 0.73007017 T T T # 38 Si38 0.08340399 0.59258712 0.89825145 T T T # 39 Si39 0.07853600 0.14555396 0.64543246 T T T # 40 Si40 0.91490458 0.21044461 0.81190795 T T T # 41 Si41 0.91607280 0.52810611 0.73021896 T T T # 42 Si42 0.08157855 0.21045961 0.89700787 T T T # 43 Si43 0.08373101 0.52781186 0.64622743 T T T # 44 Si44 0.91516093 0.46453210 0.81278422 F F F # 45 Si45 0.91516093 0.27415372 0.72945088 F F F # 46 Si46 0.08182760 0.46453210 0.89611755 F F F # 47 Si47 0.08182760 0.27415372 0.64611755 F F F # 48 Si48 0.24849426 0.33761318 0.14611755 F F F # 49 Si49 0.24849426 0.40107264 0.06278422 F F F # 50 Si50 0.41516093 0.33761318 0.22945088 F F F # 51 Si51 0.41516093 0.40107264 0.97945088 F F F # 52 Si52 0.25042686 0.59263002 0.14335819 T T T # 53 Si53 0.24538679 0.14547859 0.06341147 T T T # 54 Si54 0.41627753 0.59301994 0.22846078 T T T # 55 Si55 0.41205514 0.14547090 0.97876450 T T T # 56 Si56 0.24777034 0.21044998 0.14521469 T T T # 57 Si57 0.24845740 0.52769681 0.06284487 T T T # 58 Si58 0.41438227 0.21046293 0.23031992 T T T # 59 Si59 0.41584575 0.52767956 0.97928078 T T T # 60 Si60 0.24849426 0.46453210 0.14611755 F F F # 61 Si61 0.24849426 0.27415372 0.06278422 F F F # 62 Si62 0.41516093 0.46453210 0.22945088 F F F # 63 Si63 0.41516093 0.27415372 0.97945088 F F F # 64 Si64 0.24849426 0.33761318 0.47945088 F F F # 65 Si65 0.24849426 0.40107264 0.39611755 F F F # 66 Si66 0.41516093 0.33761318 0.56278422 F F F # 67 Si67 0.41516093 0.40107264 0.31278422 F F F # 68 Si68 0.25618544 0.59239146 0.48190744 T T T # 69 Si69 0.24526025 0.14551157 0.39674502 T T T # 70 Si70 0.42405696 0.59302683 0.56233470 T T T # 71 Si71 0.41194056 0.14549012 0.31209201 T T T # 72 Si72 0.24793330 0.21049092 0.47855329 T T T # 73 Si73 0.24947002 0.52904918 0.39598832 T T T # 74 Si74 0.41465205 0.21051193 0.56353388 T T T # 75 Si75 0.41623185 0.52835661 0.31105737 T T T # 76 Si76 0.24849426 0.46453210 0.47945088 F F F # 77 Si77 0.24849426 0.27415372 0.39611755 F F F # 78 Si78 0.41516093 0.46453210 0.56278422 F F F # 79 Si79 0.41516093 0.27415372 0.31278422 F F F # 80 Si80 0.24849426 0.33761318 0.81278422 F F F # 81 Si81 0.24849426 0.40107264 0.72945088 F F F # 82 Si82 0.41516093 0.33761318 0.89611755 F F F # 83 Si83 0.41516093 0.40107264 0.64611755 F F F # 84 Si84 0.25059560 0.59361762 0.81545107 T T T # 85 Si85 0.24522355 0.14551346 0.73006707 T T T # 86 Si86 0.41762325 0.59254761 0.89864088 T T T # 87 Si87 0.41189304 0.14559625 0.64544502 T T T # 88 Si88 0.24822194 0.21044697 0.81192121 T T T # 89 Si89 0.25004519 0.52899739 0.73162803 T T T # 90 Si90 0.41490610 0.21045852 0.89701007 T T T # 91 Si91 0.41745538 0.52901733 0.64707472 T T T # 92 Si92 0.24849426 0.46453210 0.81278422 F F F # 93 Si93 0.24849426 0.27415372 0.72945088 F F F # 94 Si94 0.41516093 0.46453210 0.89611755 F F F # 95 Si95 0.41516093 0.27415372 0.64611755 F F F # 96 Si96 0.58182760 0.33761318 0.14611755 F F F # 97 Si97 0.58182760 0.40107264 0.06278422 F F F # 98 Si98 0.74849426 0.33761318 0.22945088 F F F # 99 Si99 0.74849426 0.40107264 0.97945088 F F F # 100 Si100 0.58482836 0.59327881 0.14577597 T T T # 101 Si101 0.57871846 0.14550841 0.06340846 T T T # 102 Si102 0.75247811 0.59309101 0.22960289 T T T # 103 Si103 0.74539561 0.14549115 0.97876060 T T T # 104 Si104 0.58110018 0.21046468 0.14524708 T T T # 105 Si105 0.58226598 0.52819073 0.06402382 T T T # 106 Si106 0.74774298 0.21046772 0.23033084 T T T # 107 Si107 0.74782664 0.52828935 0.97785554 T T T # 108 Si108 0.58182760 0.46453210 0.14611755 F F F # 109 Si109 0.58182760 0.27415372 0.06278422 F F F # 110 Si110 0.74849426 0.46453210 0.22945088 F F F # 111 Si111 0.74849426 0.27415372 0.97945088 F F F # 112 Si112 0.58182760 0.33761318 0.47945088 F F F # 113 Si113 0.58182760 0.40107264 0.39611755 F F F # 114 Si114 0.74849426 0.33761318 0.56278422 F F F # 115 Si115 0.74849426 0.40107264 0.31278422 F F F # 116 Si116 0.58781612 0.59136447 0.47580178 T T T # 117 Si117 0.57859770 0.14550777 0.39675214 T T T # 118 Si118 0.75307501 0.59265013 0.56211266 T T T # 119 Si119 0.74529532 0.14550599 0.31211178 T T T # 120 Si120 0.58131586 0.21048156 0.47849883 T T T # 121 Si121 0.58429935 0.52716259 0.39452926 T T T # 122 Si122 0.74797173 0.21051200 0.56355486 T T T # 123 Si123 0.75109340 0.52807708 0.31103984 T T T # 124 Si124 0.58182760 0.46453210 0.47945088 F F F # 125 Si125 0.58182760 0.27415372 0.39611755 F F F # 126 Si126 0.74849426 0.46453210 0.56278422 F F F # 127 Si127 0.74849426 0.27415372 0.31278422 F F F # 128 Si128 0.58182760 0.33761318 0.81278422 F F F # 129 Si129 0.58182760 0.40107264 0.72945088 F F F # 130 Si130 0.74849426 0.33761318 0.89611755 F F F # 131 Si131 0.74849426 0.40107264 0.64611755 F F F # 132 Si132 0.58227514 0.59306084 0.81247139 T T T # 133 Si133 0.57858499 0.14550849 0.73006199 T T T # 134 Si134 0.75025183 0.59337472 0.89569920 T T T # 135 Si135 0.74522343 0.14560467 0.64541402 T T T # 136 Si136 0.58153898 0.21044202 0.81191449 T T T # 137 Si137 0.58386361 0.52811226 0.73098935 T T T # 138 Si138 0.74824874 0.21046999 0.89698391 T T T # 139 Si139 0.74974108 0.52809274 0.64501662 T T T # 140 Si140 0.58182760 0.46453210 0.81278422 F F F # 141 Si141 0.58182760 0.27415372 0.72945088 F F F # 142 Si142 0.74849426 0.46453210 0.89611755 F F F # 143 Si143 0.74849426 0.27415372 0.64611755 F F F # 144 Si144 0.72409584 0.77672301 0.54953916 T T T # 145 Si145 0.60859612 0.78377561 0.37302050 T T T # 146 Si146 0.45647710 0.75431254 0.53152247 T T T # 147 Si147 0.92253633 0.63557607 0.07814890 T T T # 148 O1 0.90540171 0.10276277 0.12929858 T T T # 149 O2 0.09185712 0.63884351 0.28403325 T T T # 150 O3 0.07197557 0.10269802 0.91295378 T T T # 151 O4 0.93123248 0.63607184 0.41402344 T T T # 152 O5 0.90535947 0.10275852 0.46267713 T T T # 153 O6 0.09500622 0.63495481 0.63037047 T T T # 154 O7 0.07207138 0.10273041 0.24621684 T T T # 155 O8 0.92530849 0.63564373 0.74574309 T T T # 156 O9 0.90529696 0.10269515 0.79577662 T T T # 157 O10 0.08955459 0.63554004 0.96356861 T T T # 158 O11 0.07198947 0.10280627 0.57956270 T T T # 159 O12 0.25821057 0.63553659 0.07780338 T T T # 160 O13 0.23871772 0.10275172 0.12930734 T T T # 161 O14 0.41958251 0.63596415 0.29414900 T T T # 162 O15 0.40534091 0.10270027 0.91295583 T T T # 163 O16 0.26745815 0.63807224 0.42239513 T T T # 164 O17 0.23869692 0.10280022 0.46268546 T T T # 165 O18 0.42972258 0.64029069 0.61421933 T T T # 166 O19 0.40540960 0.10277059 0.24618253 T T T # 167 O20 0.25724054 0.63859888 0.75831835 T T T # 168 O21 0.23868771 0.10270297 0.79577402 T T T # 169 O22 0.42614121 0.63534521 0.96430513 T T T # 170 O23 0.40533435 0.10287843 0.57950393 T T T # 171 O24 0.59167019 0.63583360 0.07957891 T T T # 172 O25 0.57208705 0.10279593 0.12933496 T T T # 173 O26 0.76221009 0.63567353 0.29534089 T T T # 174 O27 0.73863454 0.10272160 0.91295995 T T T # 175 O28 0.59088878 0.63498402 0.41117809 T T T # 176 O29 0.57203873 0.10278289 0.46267232 T T T # 177 O30 0.75571707 0.63494346 0.62927495 T T T # 178 O31 0.73878299 0.10280810 0.24614944 T T T # 179 O32 0.58534038 0.63566891 0.74589396 T T T # 180 O33 0.57200460 0.10267526 0.79572435 T T T # 181 O34 0.75693515 0.63614766 0.96146267 T T T # 182 O35 0.73862267 0.10289014 0.57947472 T T T # 183 O36 0.59712661 0.83609337 0.34430110 T T T # 184 O37 0.41826010 0.79226179 0.59757275 T T T # 185 O38 0.70790327 0.82622062 0.58869400 T T T # 186 O39 0.34893156 0.71456163 0.53367258 T T T # 187 O40 0.63488842 0.75098592 0.29455686 T T T # 188 O41 0.84718271 0.75928109 0.58957323 T T T # 189 O42 0.85749714 0.63788025 0.03811125 T T T # 190 H1 0.97073747 0.10047995 0.16908733 T T T # 191 H2 0.04295146 0.64050273 0.33337800 T T T # 192 H3 0.13724319 0.10038159 0.87313588 T T T # 193 H4 0.86846519 0.63823702 0.37242732 T T T # 194 H5 0.97064223 0.10052086 0.50254236 T T T # 195 H6 0.03096635 0.63721850 0.67121123 T T T # 196 H7 0.13737870 0.10048990 0.20637955 T T T # 197 H8 0.85986379 0.63777600 0.70606158 T T T # 198 H9 0.97054917 0.10040564 0.83562159 T T T # 199 H10 0.02421048 0.63791086 0.00350594 T T T # 200 H11 0.13728974 0.10056469 0.53972625 T T T # 201 H12 0.19235455 0.63808235 0.03832331 T T T # 202 H13 0.30405004 0.10047158 0.16909918 T T T # 203 H14 0.35130681 0.63871974 0.33085853 T T T # 204 H15 0.47060301 0.10038156 0.87313585 T T T # 205 H16 0.28788838 0.66521240 0.45205680 T T T # 206 H17 0.30398425 0.10058987 0.50255488 T T T # 207 H18 0.39183077 0.66704837 0.58804809 T T T # 208 H19 0.47071778 0.10054014 0.20634100 T T T # 209 H20 0.20627288 0.63947966 0.70997860 T T T # 210 H21 0.30392825 0.10042586 0.83563297 T T T # 211 H22 0.36004682 0.63789615 0.00370325 T T T # 212 H23 0.47064691 0.10062928 0.53966958 T T T # 213 H24 0.52636604 0.63767144 0.03938248 T T T # 214 H25 0.63742019 0.10054254 0.16913859 T T T # 215 H26 0.69650979 0.63899300 0.33428442 T T T # 216 H27 0.80389921 0.10040047 0.87313707 T T T # 217 H28 0.52498790 0.63690640 0.37191756 T T T # 218 H29 0.63731331 0.10060606 0.50256797 T T T # 219 H30 0.68880362 0.63682507 0.66767790 T T T # 220 H31 0.80409767 0.10058167 0.20630865 T T T # 221 H32 0.51660998 0.64014653 0.71069476 T T T # 222 H33 0.63723187 0.10039837 0.83559059 T T T # 223 H34 0.69204703 0.63826241 0.00164072 T T T # 224 H35 0.80396934 0.10061743 0.53967342 T T T # 225 H36 0.79983779 0.76712948 0.71233912 T T T # 226 H37 0.92157105 0.73337686 0.69215661 T T T # 227 H38 0.98253397 0.80487677 0.75223059 T T T # 228 H39 0.91192130 0.83389580 0.67167015 T T T # 229 H40 0.03457064 0.80049858 0.65013819 T T T # 230 H41 0.34945024 0.85134885 0.55944302 T T T # 231 H42 0.24554800 0.81101045 0.58759282 T T T # 232 H43 0.26290920 0.86831228 0.69597683 T T T # 233 H44 0.41329789 0.85637095 0.70587886 T T T # 234 H45 0.30826596 0.81620882 0.73390561 T T T # 235 H46 0.29435508 0.80185903 0.44270617 T T T # 236 H47 0.40462322 0.83955117 0.42096093 T T T # 237 H48 0.25829657 0.83373253 0.30930386 T T T # 238 H49 0.29329179 0.77736184 0.29547791 T T T # 239 H50 0.39739115 0.81889447 0.27397832 T T T # 240 H51 0.51764527 0.71906570 0.22040032 T T T # 241 H52 0.51518163 0.77731068 0.21223416 T T T # 242 H53 0.61031117 0.74245287 0.09073129 T T T # 243 H54 0.71596074 0.71841894 0.15583505 T T T # 244 H55 0.70908332 0.77660450 0.14516866 T T T # 245 H56 0.20014495 0.69267625 0.59271873 T T T # 246 H57 0.23540325 0.74831862 0.61274226 T T T # 247 H58 0.05955909 0.73991577 0.52602006 T T T # 248 H59 0.14066899 0.71186304 0.44999312 T T T # 249 H60 0.16949828 0.76845823 0.47182718 T T T # 250 H61 0.77086711 0.84888479 0.31962823 T T T # 251 H62 0.67751710 0.84828861 0.23314908 T T T # 252 H63 0.73173934 0.92502211 0.26743309 T T T # 253 H64 0.67824781 0.91808992 0.36885675 T T T # 254 H65 0.58121322 0.91711096 0.28407463 T T T # 255 H66 0.62030909 0.85999101 0.49594552 T T T # 256 H67 0.56354518 0.86548665 0.59653633 T T T # 257 H68 0.74047765 0.90775027 0.63841745 T T T # 258 H69 0.66623864 0.93339277 0.55542195 T T T # 259 H70 0.79565840 0.90280779 0.53720454 T T T # 260 H71 0.77506358 0.74303675 0.42202450 T T T # 261 H72 0.80654920 0.79957428 0.41719494 T T T # 262 H73 0.43596720 0.74094564 0.38964660 T T T # 263 H74 0.62973134 0.70645279 0.55170251 T T T # 264 H75 0.59197033 0.73560829 0.64202281 T T T # 265 H76 0.74059485 0.77580912 0.43698375 T T T # 266 C1 0.46293512 0.77155045 0.42087007 T T T # 267 C2 0.60004180 0.73841862 0.57508935 T T T # 268 C3 0.87779080 0.76398112 0.67407910 T T T # 269 C4 0.95633650 0.80324762 0.68774136 T T T # 270 C5 0.33059708 0.82494216 0.60347771 T T T # 271 C6 0.32860059 0.84249485 0.69010471 T T T # 272 C7 0.37015447 0.80725409 0.40354218 T T T # 273 C8 0.32761235 0.80928310 0.31557851 T T T # 274 C9 0.57265552 0.74864259 0.21915603 T T T # 275 C10 0.65714505 0.74644045 0.14856206 T T T # 276 C11 0.23155687 0.72323532 0.56462198 T T T # 277 C12 0.14627654 0.73661100 0.49876750 T T T # 278 C13 0.68410560 0.85834745 0.29772502 T T T # 279 C14 0.66777369 0.90762357 0.30509456 T T T # 280 C15 0.64412946 0.86332419 0.56102503 T T T # 281 C16 0.71617368 0.90434986 0.57380106 T T T # 282 C17