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 0.99897377 0.36761728 0.26942088 F F F # 1 Si1 0.99897377 0.43553509 0.18608754 F F F # 2 Si2 0.12397377 0.36761728 0.35275421 F F F # 3 Si3 0.12397377 0.43553509 0.10275421 F F F # 4 Si4 0.00026102 0.64014894 0.26643957 T T T # 5 Si5 0.00078263 0.16196188 0.18662759 T T T # 6 Si6 0.12501062 0.64156883 0.34986077 T T T # 7 Si7 0.12578145 0.16197132 0.10207823 T T T # 8 Si8 0.99905068 0.23150790 0.26846393 F F F # 9 Si9 0.99841815 0.57098103 0.18562577 T T T # 10 Si10 0.12407355 0.23158501 0.35339386 F F F # 11 Si11 0.12381152 0.57140355 0.10147676 T T T # 12 Si12 0.99897377 0.50345289 0.26942088 F F F # 13 Si13 0.99897377 0.29969948 0.18608754 F F F # 14 Si14 0.12397377 0.50345289 0.35275421 F F F # 15 Si15 0.12397377 0.29969948 0.10275421 F F F # 16 Si16 0.99897377 0.36761728 0.60275421 F F F # 17 Si17 0.99897377 0.43553509 0.51942088 F F F # 18 Si18 0.12397377 0.36761728 0.68608754 F F F # 19 Si19 0.12397377 0.43553509 0.43608754 F F F # 20 Si20 0.00296596 0.64121345 0.60209364 T T T # 21 Si21 0.00105655 0.16204392 0.51985573 T T T # 22 Si22 0.12697577 0.64107138 0.68767294 T T T # 23 Si23 0.12604189 0.16208349 0.43531517 T T T # 24 Si24 0.99901045 0.23150274 0.60184942 F F F # 25 Si25 0.49895754 0.57164780 0.52021571 T T T # 26 Si26 0.12399457 0.23152806 0.68684021 F F F # 27 Si27 0.12454999 0.57261151 0.43467312 T T T # 28 Si28 0.99897377 0.50345289 0.60275421 F F F # 29 Si29 0.99897377 0.29969948 0.51942088 F F F # 30 Si30 0.12397377 0.50345289 0.68608754 F F F # 31 Si31 0.12397377 0.29969948 0.43608754 F F F # 32 Si32 0.99897377 0.36761728 0.93608754 F F F # 33 Si33 0.99897377 0.43553509 0.85275421 F F F # 34 Si34 0.12397377 0.36761728 0.01942088 F F F # 35 Si35 0.12397377 0.43553509 0.76942088 F F F # 36 Si36 0.00093749 0.64089187 0.93533489 T T T # 37 Si37 0.00099943 0.16206137 0.85325151 T T T # 38 Si38 0.12587779 0.64096853 0.01988586 T T T # 39 Si39 0.12603316 0.16203735 0.76872912 T T T # 40 Si40 0.99903772 0.23151271 0.93528956 F F F # 41 Si41 0.50015570 0.57131095 0.85425423 T T T # 42 Si42 0.12401632 0.23152430 0.02025271 F F F # 43 Si43 0.12463343 0.57145579 0.76886455 T T T # 44 Si44 0.99897377 0.50345289 0.93608754 F F F # 45 Si45 0.99897377 0.29969948 0.85275421 F F F # 46 Si46 0.12397377 0.50345289 0.01942088 F F F # 47 Si47 0.12397377 0.29969948 0.76942088 F F F # 48 Si48 0.24897377 0.36761728 0.26942088 F F F # 49 Si49 0.24897377 0.43553509 0.18608754 F F F # 50 Si50 0.37397377 0.36761728 0.35275421 F F F # 51 Si51 0.37397377 0.43553509 0.10275421 F F F # 52 Si52 0.25042697 0.64038842 0.26660277 T T T # 53 Si53 0.25077968 0.16196625 0.18661959 T T T # 54 Si54 0.37444297 0.64073745 0.35209977 T T T # 55 Si55 0.37578405 0.16197168 0.10207663 T T T # 56 Si56 0.24906419 0.23150742 0.26846915 F F F # 57 Si57 0.24901786 0.57108919 0.18579428 T T T # 58 Si58 0.37407594 0.23158431 0.35339728 F F F # 59 Si59 0.37422158 0.57139653 0.10173165 T T T # 60 Si60 0.24897377 0.50345289 0.26942088 F F F # 61 Si61 0.24897377 0.29969948 0.18608754 F F F # 62 Si62 0.37397377 0.50345289 0.35275421 F F F # 63 Si63 0.37397377 0.29969948 0.10275421 F F F # 64 Si64 0.24897377 0.36761728 0.60275421 F F F # 65 Si65 0.24897377 0.43553509 0.51942088 F F F # 66 Si66 0.37397377 0.36761728 0.68608754 F F F # 67 Si67 0.37397377 0.43553509 0.43608754 F F F # 68 Si68 0.25356872 0.64196230 0.60566333 T T T # 69 Si69 0.25107265 0.16207438 0.51986801 T T T # 70 Si70 0.37754805 0.63950758 0.69020618 T T T # 71 Si71 0.37604621 0.16208122 0.43530680 T T T # 72 Si72 0.24901849 0.23151991 0.60190560 F F F # 73 Si73 0.24917597 0.57283641 0.52081875 T T T # 74 Si74 0.37404003 0.23151815 0.68684695 F F F # 75 Si75 0.37387883 0.57167883 0.43522818 T T T # 76 Si76 0.24897377 0.50345289 0.60275421 F F F # 77 Si77 0.24897377 0.29969948 0.51942088 F F F # 78 Si78 0.37397377 0.50345289 0.68608754 F F F # 79 Si79 0.37397377 0.29969948 0.43608754 F F F # 80 Si80 0.24897377 0.36761728 0.93608754 F F F # 81 Si81 0.24897377 0.43553509 0.85275421 F F F # 82 Si82 0.37397377 0.36761728 0.01942088 F F F # 83 Si83 0.37397377 0.43553509 0.76942088 F F F # 84 Si84 0.25114808 0.64088734 0.93587246 T T T # 85 Si85 0.25101534 0.16207871 0.85326532 T T T # 86 Si86 0.37638205 0.64091755 0.02007627 T T T # 87 Si87 0.37603423 0.16201259 0.76870199 T T T # 88 Si88 0.24903697 0.23152027 0.93533860 F F F # 89 Si89 0.24932875 0.57142140 0.85397901 T T T # 90 Si90 0.37403913 0.23152616 0.02025199 F F F # 91 Si91 0.37510809 0.57046254 0.77055564 T T T # 92 Si92 0.24897377 0.50345289 0.93608754 F F F # 93 Si93 0.24897377 0.29969948 0.85275421 F F F # 94 Si94 0.37397377 0.50345289 0.01942088 F F F # 95 Si95 0.37397377 0.29969948 0.76942088 F F F # 96 Si96 0.49897377 0.36761728 0.26942088 F F F # 97 Si98 0.49897377 0.43553509 0.18608754 F F F # 98 Si99 0.62397377 0.36761728 0.35275421 F F F # 99 Si100 0.62397377 0.43553509 0.10275421 F F F # 100 Si101 0.50052431 0.64107651 0.26887933 T T T # 101 Si102 0.50078423 0.16196563 0.18661577 T T T # 102 Si103 0.62576104 0.64089140 0.35307114 T T T # 103 Si104 0.62578779 0.16196785 0.10207308 T T T # 104 Si105 0.49905068 0.23150790 0.26846393 F F F # 105 Si106 0.49896999 0.57155788 0.18695647 T T T # 106 Si107 0.62407355 0.23158501 0.35339386 F F F # 107 Si108 0.62411690 0.57142801 0.10226260 T T T # 108 Si109 0.49897377 0.50345289 0.26942088 F F F # 109 Si110 0.49897377 0.29969948 0.18608754 F F F # 110 Si111 0.62397377 0.50345289 0.35275421 F F F # 111 Si112 0.62397377 0.29969948 0.10275421 F F F # 112 Si113 0.49897377 0.36761728 0.60275421 F F F # 113 Si114 0.49897377 0.43553509 0.51942088 F F F # 114 Si115 0.62397377 0.36761728 0.68608754 F F F # 115 Si116 0.62397377 0.43553509 0.43608754 F F F # 116 Si117 0.50071737 0.64071818 0.60321235 T T T # 117 Si118 0.50107211 0.16204519 0.51986977 T T T # 118 Si119 0.62672640 0.64087182 0.68633580 T T T # 119 Si120 0.62604816 0.16209168 0.43531975 T T T # 120 Si121 0.49901045 0.23150274 0.60184942 F F F # 121 Si122 0.99975656 0.57172055 0.52006372 T T T # 122 Si123 0.62399457 0.23152806 0.68684021 F F F # 123 Si124 0.62404393 0.57158355 0.43541400 T T T # 124 Si125 0.49897377 0.50345289 0.60275421 F F F # 125 Si126 0.49897377 0.29969948 0.51942088 F F F # 126 Si127 0.62397377 0.50345289 0.68608754 F F F # 127 Si128 0.62397377 0.29969948 0.43608754 F F F # 128 Si129 0.49897377 0.36761728 0.93608754 F F F # 129 Si130 0.49897377 0.43553509 0.85275421 F F F # 130 Si131 0.62397377 0.36761728 0.01942088 F F F # 131 Si132 0.62397377 0.43553509 0.76942088 F F F # 132 Si133 0.50179752 0.64073053 0.93616151 T T T # 133 Si134 0.50100276 0.16206545 0.85324200 T T T # 134 Si135 0.62647673 0.64080882 0.02047877 T T T # 135 Si136 0.62603775 0.16202141 0.76871254 T T T # 136 Si137 0.49903772 0.23151271 0.93528956 F F F # 137 Si138 0.99935351 0.57146338 0.85342448 T T T # 138 Si139 0.62401632 0.23152430 0.02025271 F F F # 139 Si140 0.62454782 0.57148493 0.76853605 T T T # 140 Si141 0.49897377 0.50345289 0.93608754 F F F # 141 Si142 0.49897377 0.29969948 0.85275421 F F F # 142 Si143 0.62397377 0.50345289 0.01942088 F F F # 143 Si144 0.62397377 0.29969948 0.76942088 F F F # 144 Si145 0.74897377 0.36761728 0.26942088 F F F # 145 Si146 0.74897377 0.43553509 0.18608754 F F F # 146 Si147 0.87397377 0.36761728 0.35275421 F F F # 147 Si148 0.87397377 0.43553509 0.10275421 F F F # 148 Si149 0.75109506 0.64099420 0.26903155 T T T # 149 Si150 0.75078930 0.16196740 0.18661396 T T T # 150 Si151 0.87666429 0.64080860 0.35282783 T T T # 151 Si152 0.87579327 0.16196981 0.10207278 T T T # 152 Si153 0.74906419 0.23150742 0.26846915 F F F # 153 Si154 0.74910771 0.57152628 0.18693446 T T T # 154 Si155 0.87407594 0.23158431 0.35339728 F F F # 155 Si156 0.87359035 0.57139798 0.10143521 T T T # 156 Si157 0.74897377 0.50345289 0.26942088 F F F # 157 Si158 0.74897377 0.29969948 0.18608754 F F F # 158 Si159 0.87397377 0.50345289 0.35275421 F F F # 159 Si160 0.87397377 0.29969948 0.10275421 F F F # 160 Si161 0.74897377 0.36761728 0.60275421 F F F # 161 Si162 0.74897377 0.43553509 0.51942088 F F F # 162 Si163 0.87397377 0.36761728 0.68608754 F F F # 163 Si164 0.87397377 0.43553509 0.43608754 F F F # 164 Si165 0.75192276 0.64091694 0.60196440 T T T # 165 Si166 0.75106965 0.16205706 0.51989114 T T T # 166 Si167 0.87722274 0.64108105 0.68617337 T T T # 167 Si168 0.87602832 0.16207664 0.43530849 T T T # 168 Si169 0.74901849 0.23151991 0.60190560 F F F # 169 Si170 0.74935156 0.57149410 0.52006530 T T T # 170 Si171 0.87404003 0.23151815 0.68684695 F F F # 171 Si172 0.87442751 0.57154744 0.43529619 T T T # 172 Si173 0.74897377 0.50345289 0.60275421 F F F # 173 Si174 0.74897377 0.29969948 0.51942088 F F F # 174 Si175 0.87397377 0.50345289 0.68608754 F F F # 175 Si176 0.87397377 0.29969948 0.43608754 F F F # 176 Si177 0.74897377 0.36761728 0.93608754 F F F # 177 Si178 0.74897377 0.43553509 0.85275421 F F F # 178 Si179 0.87397377 0.36761728 0.01942088 F F F # 179 Si180 0.87397377 0.43553509 0.76942088 F F F # 180 Si181 0.75098961 0.64085775 0.93518458 T T T # 181 Si182 0.75100659 0.16207448 0.85327143 T T T # 182 Si183 0.87578366 0.64087751 0.01959240 T T T # 183 Si184 0.87602692 0.16201108 0.76871597 T T T # 184 Si185 0.74903697 0.23152027 0.93533860 F F F # 185 Si186 0.74948938 0.57145363 0.85326501 T T T # 186 Si187 0.87403913 0.23152616 0.02025199 F F F # 187 Si188 0.87456476 0.57162507 0.76828864 T T T # 188 Si189 0.74897377 0.50345289 0.93608754 F F F # 189 Si190 0.74897377 0.29969948 0.85275421 F F F # 190 Si191 0.87397377 0.50345289 0.01942088 F F F # 191 Si192 0.87397377 0.29969948 0.76942088 F F F # 192 Si193 0.35707380 0.81065061 0.58265925 T T T # 193 Si194 0.00602973 0.11621071 0.25242578 T T T # 194 O1 0.13102167 0.11623027 0.03624719 T T T # 195 O2 0.00622332 0.11625762 0.58561967 T T T # 196 O3 0.13108841 0.11634342 0.36946673 T T T # 197 O4 0.00609062 0.11627182 0.91901511 T T T # 198 O5 0.13118814 0.11629188 0.70291311 T T T # 199 O6 0.25602601 0.11620766 0.25239735 T T T # 200 O7 0.38101606 0.11623142 0.03624571 T T T # 201 O8 0.25623697 0.11633871 0.58569381 T T T # 202 O9 0.38109748 0.11635375 0.36944019 T T T # 203 O10 0.25607266 0.11628307 0.91902510 T T T # 204 O11 0.38123135 0.11624421 0.70295996 T T T # 205 O12 0.00521313 0.68604937 0.20081213 T T T # 206 O13 0.12804986 0.69038023 0.40525038 T T T # 207 O14 0.01048847 0.68706435 0.53729168 T T T # 208 O15 0.13108948 0.68685747 0.75372979 T T T # 209 O16 0.00575465 0.68677449 0.86974934 T T T # 210 O17 0.13053577 0.68683090 0.08534708 T T T # 211 O18 0.25666472 0.68625827 0.20082238 T T T # 212 O19 0.37656116 0.68647821 0.41750858 T T T # 213 O20 0.26144397 0.68744474 0.54134914 T T T # 214 O21 0.38333360 0.68475512 0.75723088 T T T # 215 O22 0.25605367 0.68681729 0.87028637 T T T # 216 O23 0.38151551 0.68670267 0.08569759 T T T # 217 O24 0.50603684 0.11622238 0.25242498 T T T # 218 O29 0.63101775 0.11622385 0.03625454 T T T # 219 O30 0.50629126 0.11627690 0.58563331 T T T # 220 O31 0.63111259 0.11636267 0.36944760 T T T # 221 O32 0.50608458 0.11628947 0.91903297 T T T # 222 O33 0.63124586 0.11625836 0.70294390 T T T # 223 O34 0.75603849 0.11622184 0.25242375 T T T # 224 O35 0.88103453 0.11623298 0.03623992 T T T # 225 O36 0.75624566 0.11625235 0.58561327 T T T # 226 O37 0.88107096 0.11631547 0.36949764 T T T # 227 O38 0.75608976 0.11628157 0.91902816 T T T # 228 O39 0.88120283 0.11623980 0.70294585 T T T # 229 O40 0.50620035 0.68682634 0.20298048 T T T # 230 O41 0.63146535 0.68661853 0.41887245 T T T # 231 O42 0.50315288 0.68678836 0.53807496 T T T # 232 O43 0.63129153 0.68665342 0.75237467 T T T # 233 O44 0.50765121 0.68644285 0.87041979 T T T # 234 O45 0.63137586 0.68669082 0.08603910 T T T # 235 O46 0.75611540 0.68677024 0.20319646 T T T # 236 O47 0.88344358 0.68642847 0.41875242 T T T # 237 O48 0.75672395 0.68657703 0.53592669 T T T # 238 O49 0.88152689 0.68680450 0.75225016 T T T # 239 O50 0.75618671 0.68666089 0.86945800 T T T # 240 O51 0.88013671 0.68684817 0.08494217 T T T # 241 O52 0.28330823 0.78085941 0.54234412 T T T # 242 O53 0.40474603 0.78024409 0.64844871 T T T # 243 O54 0.42165705 0.83350542 0.51469698 T T T # 244 O55 0.28999541 0.85333329 0.62652242 T T T # 245 O56 0.45706851 0.11366238 0.29222085 T T T # 246 H1 0.08207160 0.11367140 0.99645072 T T T # 247 H2 0.45729658 0.11364614 0.62534023 T T T # 248 H3 0.08206730 0.11377162 0.32974449 T T T # 249 H4 0.45709243 0.11372506 0.95876982 T T T # 250 H5 0.08223694 0.11374734 0.66311923 T T T # 251 H6 0.20706596 0.11364432 0.29219420 T T T # 252 H7 0.33206723 0.11367502 0.99644705 T T T # 253 H8 0.20725550 0.11376304 0.62543608 T T T # 254 H9 0.33206502 0.11375711 0.32973946 T T T # 255 H10 0.20708416 0.11372596 0.95877039 T T T # 256 H11 0.33229409 0.11367963 0.66316213 T T T # 257 H12 0.45735548 0.68929068 0.16300768 T T T # 258 H13 0.09297249 0.69132055 0.45569207 T T T # 259 H14 0.08193995 0.68919148 0.79342700 T T T # 260 H16 0.45852679 0.68819159 0.83019692 T T T # 261 H17 0.08153375 0.68909813 0.12535201 T T T # 262 H18 0.20727987 0.68922192 0.16155545 T T T # 263 H19 0.32695630 0.68792794 0.45687130 T T T # 264 H20 0.33330261 0.68780151 0.79585346 T T T # 265 H22 0.20718416 0.68925581 0.83027053 T T T # 266 H23 0.33240969 0.68902113 0.12564183 T T T # 267 H24 0.16847740 0.84221330 0.67266152 T T T # 268 H35 0.21051533 0.92648068 0.69339326 T T T # 269 H38 0.95706024 0.11364618 0.29220992 T T T # 270 H45 0.58207497 0.11366729 0.99644795 T T T # 271 H46 0.95724607 0.11369318 0.62536792 T T T # 272 H47 0.58208248 0.11377805 0.32973713 T T T # 273 H48 0.95710060 0.11370294 0.95875493 T T T # 274 H49 0.58229186 0.11369248 0.66316061 T T T # 275 H50 0.70707221 0.11367717 0.29222440 T T T # 276 H51 0.83208248 0.11366929 0.99644502 T T T # 277 H52 0.70727751 0.11368033 0.62537081 T T T # 278 H53 0.83206759 0.11375043 0.32975473 T T T # 279 H54 0.70709795 0.11370281 0.95876261 T T T # 280 H55 0.83225334 0.11368953 0.66315492 T T T # 281 H56 0.95609154 0.68888821 0.16125115 T T T # 282 H57 0.58315033 0.69093845 0.45602580 T T T # 283 H58 0.96332616 0.68955433 0.49585012 T T T # 284 H59 0.58295126 0.68847463 0.79305341 T T T # 285 H60 0.95694215 0.68919748 0.82972940 T T T # 286 H61 0.58237548 0.68917187 0.12582417 T T T # 287 H62 0.70710907 0.68924636 0.16344168 T T T # 288 H63 0.83491501 0.68909601 0.45882726 T T T # 289 H64 0.44031960 0.69724099 0.50673974 T T T # 290 H65 0.83240823 0.68913747 0.79186210 T T T # 291 H66 0.70738837 0.68912649 0.82948896 T T T # 292 H67 0.83141433 0.68925491 0.12501810 T T T # 293 H68 0.51582656 0.76716615 0.69129837 T T T # 294 H69 0.50421281 0.82042173 0.65742733 T T T # 295 H70 0.51391382 0.81846808 0.80956273 T T T # 296 H71 0.42852292 0.78544837 0.81076293 T T T # 297 H72 0.42151547 0.83920616 0.77793272 T T T # 298 H73 0.51044069 0.78736557 0.50760111 T T T # 299 H74 0.46230366 0.80135668 0.41695038 T T T # 300 H75 0.59760997 0.83541787 0.41364067 T T T # 301 H76 0.57356502 0.86224504 0.50216957 T T T # 302 H77 0.52451683 0.87662538 0.41225911 T T T # 303 H78 0.25433965 0.82415625 0.73650320 T T T # 304 H80 0.18397751 0.89840645 0.78563913 T T T # 305 H81 0.29337073 0.90776450 0.76006237 T T T # 306 H83 0.27877766 0.81707355 0.43256692 T T T # 307 H84 0.22186866 0.76465363 0.43505337 T T T # 308 H85 0.12273234 0.82978878 0.43330372 T T T # 309 H86 0.17121736 0.85358577 0.52186691 T T T # 310 H87 0.11565946 0.80055352 0.52789753 T T T # 311 H88 0.26112011 0.72159672 0.55728443 T T T # 312 H89 0.70788370 0.68875279 0.49595811 T T T # 313 H79 0.47534975 0.79480335 0.69108579 T T T # 314 C9 0.45843893 0.81041874 0.77729865 T T T # 315 C10 0.48565480 0.81476147 0.47105815 T T T # 316 C11 0.54892936 0.84933624 0.44854794 T T T # 317 C12 0.23289404 0.85168463 0.69425490 T T T # 318 C13 0.23018092 0.89887870 0.73566248 T T T # 319 C14 0.23686963 0.79576454 0.46949986 T T T # 320 C15 0.15713844 0.82144865 0.48998230 T T T # 321 C16