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 0.99692130 0.36790629 0.26968940 F F F # 1 Si1 0.99692130 0.43582410 0.18635606 F F F # 2 Si2 0.12192130 0.36790629 0.35302273 F F F # 3 Si3 0.12192130 0.43582410 0.10302273 F F F # 4 Si4 0.99820574 0.64045048 0.26679231 T T T # 5 Si5 0.99873286 0.16225318 0.18689420 T T T # 6 Si6 0.12306214 0.64190579 0.35003601 T T T # 7 Si7 0.12373139 0.16226090 0.10234415 T T T # 8 Si8 0.99699821 0.23179691 0.26873245 F F F # 9 Si9 0.99639253 0.57127205 0.18596753 T T T # 10 Si10 0.12202108 0.23187402 0.35366238 F F F # 11 Si11 0.12168880 0.57165189 0.10171882 T T T # 12 Si12 0.99692130 0.50374190 0.26968940 F F F # 13 Si13 0.99692130 0.29998849 0.18635606 F F F # 14 Si14 0.12192130 0.50374190 0.35302273 F F F # 15 Si15 0.12192130 0.29998849 0.10302273 F F F # 16 Si16 0.99692130 0.36790629 0.60302273 F F F # 17 Si17 0.99692130 0.43582410 0.51968940 F F F # 18 Si18 0.12192130 0.36790629 0.68635606 F F F # 19 Si19 0.12192130 0.43582410 0.43635606 F F F # 20 Si20 0.00086947 0.64141566 0.60236721 T T T # 21 Si21 0.99900534 0.16233367 0.52012471 T T T # 22 Si22 0.12481539 0.64106268 0.68798894 T T T # 23 Si23 0.12398847 0.16237354 0.43558160 T T T # 24 Si24 0.99695798 0.23179175 0.60211794 F F F # 25 Si25 0.49687269 0.57250304 0.52073212 T T T # 26 Si26 0.12194210 0.23181707 0.68710873 F F F # 27 Si27 0.12248199 0.57292481 0.43485574 T T T # 28 Si28 0.99692130 0.50374190 0.60302273 F F F # 29 Si29 0.99692130 0.29998849 0.51968940 F F F # 30 Si30 0.12192130 0.50374190 0.68635606 F F F # 31 Si31 0.12192130 0.29998849 0.43635606 F F F # 32 Si32 0.99692130 0.36790629 0.93635606 F F F # 33 Si33 0.99692130 0.43582410 0.85302273 F F F # 34 Si34 0.12192130 0.36790629 0.01968940 F F F # 35 Si35 0.12192130 0.43582410 0.76968940 F F F # 36 Si36 0.99883682 0.64113599 0.93560220 T T T # 37 Si37 0.99895007 0.16235134 0.85351777 T T T # 38 Si38 0.12368500 0.64122416 0.02020292 T T T # 39 Si39 0.12398166 0.16232658 0.76899018 T T T # 40 Si40 0.99698525 0.23180172 0.93555808 F F F # 41 Si41 0.49810465 0.57158841 0.85465935 T T T # 42 Si42 0.12196385 0.23181331 0.02052123 F F F # 43 Si43 0.12245194 0.57162335 0.76932504 T T T # 44 Si44 0.99692130 0.50374190 0.93635606 F F F # 45 Si45 0.99692130 0.29998849 0.85302273 F F F # 46 Si46 0.12192130 0.50374190 0.01968940 F F F # 47 Si47 0.12192130 0.29998849 0.76968940 F F F # 48 Si48 0.24692130 0.36790629 0.26968940 F F F # 49 Si49 0.24692130 0.43582410 0.18635606 F F F # 50 Si50 0.37192130 0.36790629 0.35302273 F F F # 51 Si51 0.37192130 0.43582410 0.10302273 F F F # 52 Si52 0.24827553 0.64050799 0.26649499 T T T # 53 Si53 0.24873013 0.16225765 0.18688773 T T T # 54 Si54 0.37203387 0.64116711 0.35210308 T T T # 55 Si55 0.37373170 0.16226263 0.10234197 T T T # 56 Si56 0.24701172 0.23179643 0.26873767 F F F # 57 Si57 0.24690370 0.57126761 0.18583753 T T T # 58 Si58 0.37202347 0.23187332 0.35366580 F F F # 59 Si59 0.37221282 0.57166778 0.10196978 T T T # 60 Si60 0.24692130 0.50374190 0.26968940 F F F # 61 Si61 0.24692130 0.29998849 0.18635606 F F F # 62 Si62 0.37192130 0.50374190 0.35302273 F F F # 63 Si63 0.37192130 0.29998849 0.10302273 F F F # 64 Si64 0.24692130 0.36790629 0.60302273 F F F # 65 Si65 0.24692130 0.43582410 0.51968940 F F F # 66 Si66 0.37192130 0.36790629 0.68635606 F F F # 67 Si67 0.37192130 0.43582410 0.43635606 F F F # 68 Si68 0.25139064 0.64178801 0.60599230 T T T # 69 Si69 0.24901711 0.16236545 0.52013766 T T T # 70 Si70 0.37512513 0.63961692 0.69095219 T T T # 71 Si71 0.37398691 0.16237602 0.43557341 T T T # 72 Si72 0.24696602 0.23180892 0.60217412 F F F # 73 Si73 0.24717311 0.57295525 0.52086215 T T T # 74 Si74 0.37198756 0.23180716 0.68711547 F F F # 75 Si75 0.37197051 0.57212612 0.43539853 T T T # 76 Si76 0.24692130 0.50374190 0.60302273 F F F # 77 Si77 0.24692130 0.29998849 0.51968940 F F F # 78 Si78 0.37192130 0.50374190 0.68635606 F F F # 79 Si79 0.37192130 0.29998849 0.43635606 F F F # 80 Si80 0.24692130 0.36790629 0.93635606 F F F # 81 Si81 0.24692130 0.43582410 0.85302273 F F F # 82 Si82 0.37192130 0.36790629 0.01968940 F F F # 83 Si83 0.37192130 0.43582410 0.76968940 F F F # 84 Si84 0.24896142 0.64113287 0.93629745 T T T # 85 Si85 0.24896146 0.16236924 0.85353111 T T T # 86 Si86 0.37428132 0.64120921 0.02037700 T T T # 87 Si87 0.37398175 0.16230523 0.76897003 T T T # 88 Si88 0.24698450 0.23180928 0.93560712 F F F # 89 Si89 0.24717098 0.57168032 0.85438300 T T T # 90 Si90 0.37198666 0.23181517 0.02052051 F F F # 91 Si91 0.37299914 0.57064172 0.77114015 T T T # 92 Si92 0.24692130 0.50374190 0.93635606 F F F # 93 Si93 0.24692130 0.29998849 0.85302273 F F F # 94 Si94 0.37192130 0.50374190 0.01968940 F F F # 95 Si95 0.37192130 0.29998849 0.76968940 F F F # 96 Si96 0.49692130 0.36790629 0.26968940 F F F # 97 Si98 0.49692130 0.43582410 0.18635606 F F F # 98 Si99 0.62192130 0.36790629 0.35302273 F F F # 99 Si100 0.62192130 0.43582410 0.10302273 F F F # 100 Si101 0.49826806 0.64142581 0.26910568 T T T # 101 Si102 0.49873423 0.16226063 0.18687614 T T T # 102 Si103 0.62395189 0.64099834 0.35263927 T T T # 103 Si104 0.62373784 0.16225992 0.10233842 T T T # 104 Si105 0.49699821 0.23179691 0.26873245 F F F # 105 Si106 0.49694748 0.57186475 0.18724380 T T T # 106 Si107 0.62202108 0.23187402 0.35366238 F F F # 107 Si108 0.62202889 0.57171010 0.10243896 T T T # 108 Si109 0.49692130 0.50374190 0.26968940 F F F # 109 Si110 0.49692130 0.29998849 0.18635606 F F F # 110 Si111 0.62192130 0.50374190 0.35302273 F F F # 111 Si112 0.62192130 0.29998849 0.10302273 F F F # 112 Si113 0.49692130 0.36790629 0.60302273 F F F # 113 Si114 0.49692130 0.43582410 0.51968940 F F F # 114 Si115 0.62192130 0.36790629 0.68635606 F F F # 115 Si116 0.62192130 0.43582410 0.43635606 F F F # 116 Si117 0.49845879 0.64162825 0.60465693 T T T # 117 Si118 0.49901670 0.16234269 0.52012308 T T T # 118 Si119 0.62479816 0.64104804 0.68720717 T T T # 119 Si120 0.62399989 0.16238628 0.43558736 T T T # 120 Si121 0.49695798 0.23179175 0.60211794 F F F # 121 Si122 0.99769881 0.57197631 0.52026768 T T T # 122 Si123 0.62194210 0.23181707 0.68710873 F F F # 123 Si124 0.62186450 0.57196965 0.43570948 T T T # 124 Si125 0.49692130 0.50374190 0.60302273 F F F # 125 Si126 0.49692130 0.29998849 0.51968940 F F F # 126 Si127 0.62192130 0.50374190 0.68635606 F F F # 127 Si128 0.62192130 0.29998849 0.43635606 F F F # 128 Si129 0.49692130 0.36790629 0.93635606 F F F # 129 Si130 0.49692130 0.43582410 0.85302273 F F F # 130 Si131 0.62192130 0.36790629 0.01968940 F F F # 131 Si132 0.62192130 0.43582410 0.76968940 F F F # 132 Si133 0.49962192 0.64106356 0.93640437 T T T # 133 Si134 0.49895096 0.16235736 0.85350868 T T T # 134 Si135 0.62437279 0.64111515 0.02068103 T T T # 135 Si136 0.62398572 0.16231677 0.76898108 T T T # 136 Si137 0.49698525 0.23180172 0.93555808 F F F # 137 Si138 0.99719543 0.57170909 0.85376349 T T T # 138 Si139 0.62196385 0.23181331 0.02052123 F F F # 139 Si140 0.62250410 0.57164124 0.76903700 T T T # 140 Si141 0.49692130 0.50374190 0.93635606 F F F # 141 Si142 0.49692130 0.29998849 0.85302273 F F F # 142 Si143 0.62192130 0.50374190 0.01968940 F F F # 143 Si144 0.62192130 0.29998849 0.76968940 F F F # 144 Si145 0.74692130 0.36790629 0.26968940 F F F # 145 Si146 0.74692130 0.43582410 0.18635606 F F F # 146 Si147 0.87192130 0.36790629 0.35302273 F F F # 147 Si148 0.87192130 0.43582410 0.10302273 F F F # 148 Si149 0.74918436 0.64095237 0.26874047 T T T # 149 Si150 0.74873832 0.16226003 0.18687915 T T T # 150 Si151 0.87448555 0.64103064 0.35298831 T T T # 151 Si152 0.87374265 0.16226001 0.10233855 T T T # 152 Si153 0.74701172 0.23179643 0.26873767 F F F # 153 Si154 0.74721324 0.57162758 0.18680940 T T T # 154 Si155 0.87202347 0.23187332 0.35366580 F F F # 155 Si156 0.87172163 0.57162610 0.10160967 T T T # 156 Si157 0.74692130 0.50374190 0.26968940 F F F # 157 Si158 0.74692130 0.29998849 0.18635606 F F F # 158 Si159 0.87192130 0.50374190 0.35302273 F F F # 159 Si160 0.87192130 0.29998849 0.10302273 F F F # 160 Si161 0.74692130 0.36790629 0.60302273 F F F # 161 Si162 0.74692130 0.43582410 0.51968940 F F F # 162 Si163 0.87192130 0.36790629 0.68635606 F F F # 163 Si164 0.87192130 0.43582410 0.43635606 F F F # 164 Si165 0.74976440 0.64108282 0.60250746 T T T # 165 Si166 0.74901998 0.16235083 0.52015814 T T T # 166 Si167 0.87517815 0.64133317 0.68650543 T T T # 167 Si168 0.87397846 0.16236783 0.43557453 T T T # 168 Si169 0.74696602 0.23180892 0.60217412 F F F # 169 Si170 0.74723874 0.57177466 0.52033219 T T T # 170 Si171 0.87198756 0.23180716 0.68711547 F F F # 171 Si172 0.87234520 0.57183012 0.43557340 T T T # 172 Si173 0.74692130 0.50374190 0.60302273 F F F # 173 Si174 0.74692130 0.29998849 0.51968940 F F F # 174 Si175 0.87192130 0.50374190 0.68635606 F F F # 175 Si176 0.87192130 0.29998849 0.43635606 F F F # 176 Si177 0.74692130 0.36790629 0.93635606 F F F # 177 Si178 0.74692130 0.43582410 0.85302273 F F F # 178 Si179 0.87192130 0.36790629 0.01968940 F F F # 179 Si180 0.87192130 0.43582410 0.76968940 F F F # 180 Si181 0.74901047 0.64111926 0.93555479 T T T # 181 Si182 0.74895615 0.16236608 0.85353752 T T T # 182 Si183 0.87376742 0.64111688 0.01990593 T T T # 183 Si184 0.87397658 0.16230257 0.76898229 T T T # 184 Si185 0.74698450 0.23180928 0.93560712 F F F # 185 Si186 0.74746674 0.57172232 0.85363545 T T T # 186 Si187 0.87198666 0.23181517 0.02052051 F F F # 187 Si188 0.87247543 0.57189121 0.76859967 T T T # 188 Si189 0.74692130 0.50374190 0.93635606 F F F # 189 Si190 0.74692130 0.29998849 0.85302273 F F F # 190 Si191 0.87192130 0.50374190 0.01968940 F F F # 191 Si192 0.87192130 0.29998849 0.76968940 F F F # 192 Si193 0.38830593 0.79774648 0.57650710 T T T # 193 Si194 0.00397656 0.11649562 0.25269372 T T T # 194 O1 0.12896878 0.11651486 0.03651282 T T T # 195 O2 0.00416082 0.11653474 0.58587816 T T T # 196 O3 0.12903191 0.11662091 0.36974309 T T T # 197 O4 0.00403417 0.11655431 0.91927618 T T T # 198 O5 0.12913790 0.11657249 0.70317372 T T T # 199 O6 0.25397633 0.11649261 0.25267130 T T T # 200 O7 0.37895901 0.11651548 0.03651117 T T T # 201 O8 0.25417439 0.11660796 0.58594461 T T T # 202 O9 0.37902811 0.11663319 0.36971797 T T T # 203 O10 0.25401826 0.11656496 0.91928444 T T T # 204 O11 0.37916371 0.11652750 0.70321525 T T T # 205 O12 0.00307399 0.68633292 0.20110512 T T T # 206 O13 0.12639360 0.69077804 0.40516970 T T T # 207 O14 0.00853705 0.68729476 0.53767098 T T T # 208 O15 0.12891822 0.68688729 0.75404471 T T T # 209 O16 0.00371088 0.68701526 0.86998802 T T T # 210 O17 0.12823177 0.68714425 0.08552659 T T T # 211 O18 0.25450733 0.68641722 0.20074923 T T T # 212 O19 0.37333710 0.68725174 0.41615651 T T T # 213 O20 0.25887906 0.68747769 0.54220868 T T T # 214 O21 0.38044556 0.68519483 0.75744031 T T T # 215 O22 0.25367185 0.68706618 0.87066917 T T T # 216 O23 0.37938007 0.68700267 0.08596551 T T T # 217 O24 0.50397807 0.11650949 0.25269222 T T T # 218 O29 0.62895654 0.11650858 0.03652013 T T T # 219 O30 0.50420209 0.11656546 0.58589753 T T T # 220 O31 0.62903452 0.11664103 0.36972762 T T T # 221 O32 0.50402091 0.11656988 0.91929093 T T T # 222 O33 0.62916892 0.11654474 0.70320356 T T T # 223 O34 0.75397460 0.11650392 0.25268607 T T T # 224 O35 0.87897302 0.11651662 0.03650716 T T T # 225 O36 0.75416490 0.11653347 0.58587468 T T T # 226 O37 0.87900300 0.11659579 0.36976957 T T T # 227 O38 0.75402302 0.11656231 0.91928459 T T T # 228 O39 0.87913727 0.11652412 0.70320964 T T T # 229 O40 0.50412074 0.68716476 0.20314403 T T T # 230 O41 0.63202779 0.68673663 0.41779383 T T T # 231 O42 0.49933651 0.68877024 0.54268658 T T T # 232 O43 0.62990365 0.68665065 0.75359145 T T T # 233 O44 0.50527527 0.68679961 0.87066936 T T T # 234 O45 0.62925939 0.68698322 0.08627856 T T T # 235 O46 0.75413720 0.68689567 0.20318281 T T T # 236 O47 0.88110482 0.68667219 0.41891312 T T T # 237 O48 0.75434570 0.68673505 0.53645837 T T T # 238 O49 0.87949644 0.68708858 0.75255153 T T T # 239 O50 0.75441148 0.68693939 0.86992810 T T T # 240 O51 0.87809999 0.68709713 0.08521479 T T T # 241 O52 0.31086834 0.78097628 0.54098303 T T T # 242 O53 0.43372801 0.77787964 0.64718473 T T T # 243 O54 0.45356677 0.81765020 0.50655470 T T T # 244 O55 0.28017044 0.83542435 0.62160270 T T T # 245 O56 0.45501136 0.11397300 0.29249395 T T T # 246 H1 0.08002146 0.11396699 0.99671017 T T T # 247 H2 0.45522139 0.11398257 0.62563728 T T T # 248 H3 0.08001902 0.11406656 0.33000581 T T T # 249 H4 0.45503637 0.11402579 0.95904274 T T T # 250 H5 0.08018692 0.11404102 0.66337638 T T T # 251 H6 0.20501539 0.11394566 0.29247173 T T T # 252 H7 0.33001372 0.11397455 0.99670381 T T T # 253 H8 0.20520086 0.11405862 0.62570546 T T T # 254 H9 0.33000982 0.11406816 0.32998914 T T T # 255 H10 0.20503433 0.11402070 0.95903886 T T T # 256 H11 0.33022718 0.11399491 0.66340590 T T T # 257 H12 0.45524342 0.68963420 0.16319928 T T T # 258 H13 0.09177767 0.69184308 0.45583262 T T T # 259 H14 0.07974936 0.68918845 0.79374902 T T T # 260 H16 0.45614699 0.68859626 0.83050180 T T T # 261 H17 0.07928255 0.68938959 0.12560170 T T T # 262 H18 0.20506159 0.68945446 0.16157390 T T T # 263 H19 0.32527416 0.68840163 0.45689277 T T T # 264 H20 0.33068270 0.68801110 0.79644899 T T T # 265 H22 0.20480633 0.68933867 0.83060408 T T T # 266 H23 0.33024743 0.68925437 0.12594171 T T T # 267 H24 0.16555533 0.82707877 0.67746085 T T T # 268 H35 0.20574249 0.91129694 0.68508901 T T T # 269 H38 0.95500879 0.11394359 0.29248165 T T T # 270 H45 0.58001828 0.11396969 0.99670451 T T T # 271 H46 0.95519268 0.11399013 0.62564137 T T T # 272 H47 0.58002215 0.11409431 0.32998579 T T T # 273 H48 0.95504862 0.11399759 0.95902357 T T T # 274 H49 0.58022216 0.11401615 0.66340386 T T T # 275 H50 0.70501379 0.11397840 0.29249397 T T T # 276 H51 0.83002642 0.11396653 0.99670397 T T T # 277 H52 0.70521120 0.11399778 0.62565804 T T T # 278 H53 0.83001134 0.11405561 0.33000716 T T T # 279 H54 0.70504074 0.11400412 0.95903450 T T T # 280 H55 0.83019367 0.11399484 0.66340868 T T T # 281 H56 0.95395902 0.68912700 0.16152366 T T T # 282 H57 0.58535064 0.69585540 0.44977944 T T T # 283 H58 0.96148490 0.68982209 0.49616863 T T T # 284 H59 0.58112909 0.68878931 0.79370975 T T T # 285 H60 0.95488409 0.68944773 0.82997397 T T T # 286 H61 0.58026365 0.68944261 0.12608956 T T T # 287 H62 0.70508791 0.68939372 0.16346927 T T T # 288 H63 0.83269807 0.68923737 0.45910728 T T T # 289 H64 0.41076791 0.71565892 0.52610446 T T T # 290 H65 0.83046698 0.68937967 0.79228742 T T T # 291 H66 0.70562362 0.68926399 0.82980958 T T T # 292 H67 0.82936641 0.68945448 0.12532303 T T T # 293 H68 0.53382239 0.78184334 0.68485571 T T T # 294 H69 0.49928956 0.82406681 0.65640276 T T T # 295 H70 0.51730064 0.82482384 0.80702134 T T T # 296 H71 0.46227548 0.78667839 0.80744533 T T T # 297 H72 0.43134821 0.82939017 0.78005492 T T T # 298 H73 0.54413754 0.78997440 0.51468920 T T T # 299 H74 0.51224191 0.79653056 0.42193389 T T T # 300 H75 0.61263839 0.84229434 0.41947526 T T T # 301 H76 0.57040790 0.86166739 0.49735583 T T T # 302 H77 0.53761239 0.86823116 0.40516716 T T T # 303 H78 0.25619622 0.81143831 0.73519143 T T T # 304 H80 0.18922436 0.88714001 0.78033071 T T T # 305 H81 0.29409052 0.89513835 0.74527907 T T T # 306 H83 0.31297842 0.81248894 0.42838796 T T T # 307 H84 0.24501517 0.76746383 0.43523269 T T T # 308 H85 0.16867704 0.83731286 0.42729484 T T T # 309 H86 0.22269280 0.85788529 0.51439933 T T T # 310 H87 0.15553256 0.81228573 0.52350145 T T T # 311 H88 0.25705538 0.72125884 0.56022745 T T T # 312 H89 0.70587212 0.68844408 0.49599085 T T T # 313 H79 0.48869967 0.79946909 0.68831136 T T T # 314 C9 0.47369899 0.81074220 0.77576390 T T T # 315 C10 0.51911134 0.81051230 0.47242663 T T T # 316 C11 0.56227644 0.84786495 0.44720932 T T T # 317 C12 0.23052499 0.83712841 0.69249989 T T T # 318 C13 0.22999990 0.88552278 0.72768797 T T T # 319 C14 0.26847649 0.79664814 0.46681313 T T T # 320 C15 0.20003966 0.82786195 0.48468437 T T T # 321 C16