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 0.99794753 0.36776178 0.26955514 F F F # 1 Si1 0.99794753 0.43567959 0.18622180 F F F # 2 Si2 0.12294753 0.36776178 0.35288847 F F F # 3 Si3 0.12294753 0.43567959 0.10288847 F F F # 4 Si4 0.99923338 0.64029971 0.26661594 T T T # 5 Si5 0.99975774 0.16210753 0.18676089 T T T # 6 Si6 0.12403638 0.64173731 0.34994839 T T T # 7 Si7 0.12475642 0.16211611 0.10221119 T T T # 8 Si8 0.99802444 0.23165240 0.26859819 F F F # 9 Si9 0.99740534 0.57112654 0.18579665 T T T # 10 Si10 0.12304731 0.23172951 0.35352812 F F F # 11 Si11 0.12275016 0.57152772 0.10159779 T T T # 12 Si12 0.99794753 0.50359739 0.26955514 F F F # 13 Si13 0.99794753 0.29984398 0.18622180 F F F # 14 Si14 0.12294753 0.50359739 0.35288847 F F F # 15 Si15 0.12294753 0.29984398 0.10288847 F F F # 16 Si16 0.99794753 0.36776178 0.60288847 F F F # 17 Si17 0.99794753 0.43567959 0.51955514 F F F # 18 Si18 0.12294753 0.36776178 0.68622180 F F F # 19 Si19 0.12294753 0.43567959 0.43622180 F F F # 20 Si20 0.00191772 0.64131455 0.60223043 T T T # 21 Si21 0.00003094 0.16218880 0.51999022 T T T # 22 Si22 0.12589558 0.64106703 0.68783094 T T T # 23 Si23 0.12501518 0.16222851 0.43544838 T T T # 24 Si24 0.99798421 0.23164724 0.60198368 F F F # 25 Si25 0.49791511 0.57207542 0.52047391 T T T # 26 Si26 0.12296833 0.23167256 0.68697447 F F F # 27 Si27 0.12351599 0.57276816 0.43476443 T T T # 28 Si28 0.99794753 0.50359739 0.60288847 F F F # 29 Si29 0.99794753 0.29984398 0.51955514 F F F # 30 Si30 0.12294753 0.50359739 0.68622180 F F F # 31 Si31 0.12294753 0.29984398 0.43622180 F F F # 32 Si32 0.99794753 0.36776178 0.93622180 F F F # 33 Si33 0.99794753 0.43567959 0.85288847 F F F # 34 Si34 0.12294753 0.36776178 0.01955514 F F F # 35 Si35 0.12294753 0.43567959 0.76955514 F F F # 36 Si36 0.99988715 0.64101393 0.93546854 T T T # 37 Si37 0.99997475 0.16220635 0.85338464 T T T # 38 Si38 0.12478139 0.64109634 0.02004439 T T T # 39 Si39 0.12500741 0.16218197 0.76885965 T T T # 40 Si40 0.99801148 0.23165721 0.93542382 F F F # 41 Si41 0.49913017 0.57144968 0.85445679 T T T # 42 Si42 0.12299008 0.23166880 0.02038697 F F F # 43 Si43 0.12354268 0.57153957 0.76909479 T T T # 44 Si44 0.99794753 0.50359739 0.93622180 F F F # 45 Si45 0.99794753 0.29984398 0.85288847 F F F # 46 Si46 0.12294753 0.50359739 0.01955514 F F F # 47 Si47 0.12294753 0.29984398 0.76955514 F F F # 48 Si48 0.24794753 0.36776178 0.26955514 F F F # 49 Si49 0.24794753 0.43567959 0.18622180 F F F # 50 Si50 0.37294753 0.36776178 0.35288847 F F F # 51 Si51 0.37294753 0.43567959 0.10288847 F F F # 52 Si52 0.24935125 0.64044820 0.26654888 T T T # 53 Si53 0.24975490 0.16211195 0.18675366 T T T # 54 Si54 0.37323842 0.64095228 0.35210142 T T T # 55 Si55 0.37475788 0.16211716 0.10220930 T T T # 56 Si56 0.24803795 0.23165192 0.26860341 F F F # 57 Si57 0.24796078 0.57117840 0.18581591 T T T # 58 Si58 0.37304970 0.23172881 0.35353154 F F F # 59 Si59 0.37321720 0.57153215 0.10185072 T T T # 60 Si60 0.24794753 0.50359739 0.26955514 F F F # 61 Si61 0.24794753 0.29984398 0.18622180 F F F # 62 Si62 0.37294753 0.50359739 0.35288847 F F F # 63 Si63 0.37294753 0.29984398 0.10288847 F F F # 64 Si64 0.24794753 0.36776178 0.60288847 F F F # 65 Si65 0.24794753 0.43567959 0.51955514 F F F # 66 Si66 0.37294753 0.36776178 0.68622180 F F F # 67 Si67 0.37294753 0.43567959 0.43622180 F F F # 68 Si68 0.25247968 0.64187515 0.60582782 T T T # 69 Si69 0.25004488 0.16221992 0.52000284 T T T # 70 Si70 0.37633659 0.63956225 0.69057918 T T T # 71 Si71 0.37501656 0.16222862 0.43544011 T T T # 72 Si72 0.24799225 0.23166441 0.60203986 F F F # 73 Si73 0.24817454 0.57289583 0.52084045 T T T # 74 Si74 0.37301379 0.23166265 0.68698121 F F F # 75 Si75 0.37292467 0.57190248 0.43531336 T T T # 76 Si76 0.24794753 0.50359739 0.60288847 F F F # 77 Si77 0.24794753 0.29984398 0.51955514 F F F # 78 Si78 0.37294753 0.50359739 0.68622180 F F F # 79 Si79 0.37294753 0.29984398 0.43622180 F F F # 80 Si80 0.24794753 0.36776178 0.93622180 F F F # 81 Si81 0.24794753 0.43567959 0.85288847 F F F # 82 Si82 0.37294753 0.36776178 0.01955514 F F F # 83 Si83 0.37294753 0.43567959 0.76955514 F F F # 84 Si84 0.25005475 0.64101011 0.93608496 T T T # 85 Si85 0.24998840 0.16222397 0.85339821 T T T # 86 Si86 0.37533169 0.64106338 0.02022663 T T T # 87 Si87 0.37500799 0.16215891 0.76883601 T T T # 88 Si88 0.24801073 0.23166477 0.93547286 F F F # 89 Si89 0.24824987 0.57155086 0.85418101 T T T # 90 Si90 0.37301289 0.23167066 0.02038625 F F F # 91 Si91 0.37405362 0.57055213 0.77084789 T T T # 92 Si92 0.24794753 0.50359739 0.93622180 F F F # 93 Si93 0.24794753 0.29984398 0.85288847 F F F # 94 Si94 0.37294753 0.50359739 0.01955514 F F F # 95 Si95 0.37294753 0.29984398 0.76955514 F F F # 96 Si96 0.49794753 0.36776178 0.26955514 F F F # 97 Si98 0.49794753 0.43567959 0.18622180 F F F # 98 Si99 0.62294753 0.36776178 0.35288847 F F F # 99 Si100 0.62294753 0.43567959 0.10288847 F F F # 100 Si101 0.49939618 0.64125116 0.26899251 T T T # 101 Si102 0.49975923 0.16211313 0.18674595 T T T # 102 Si103 0.62485647 0.64094487 0.35285521 T T T # 103 Si104 0.62476282 0.16211389 0.10220575 T T T # 104 Si105 0.49802444 0.23165240 0.26859819 F F F # 105 Si106 0.49795874 0.57171131 0.18710013 T T T # 106 Si107 0.62304731 0.23172951 0.35352812 F F F # 107 Si108 0.62307290 0.57156905 0.10235078 T T T # 108 Si109 0.49794753 0.50359739 0.26955514 F F F # 109 Si110 0.49794753 0.29984398 0.18622180 F F F # 110 Si111 0.62294753 0.50359739 0.35288847 F F F # 111 Si112 0.62294753 0.29984398 0.10288847 F F F # 112 Si113 0.49794753 0.36776178 0.60288847 F F F # 113 Si114 0.49794753 0.43567959 0.51955514 F F F # 114 Si115 0.62294753 0.36776178 0.68622180 F F F # 115 Si116 0.62294753 0.43567959 0.43622180 F F F # 116 Si117 0.49958808 0.64117322 0.60393464 T T T # 117 Si118 0.50004441 0.16219394 0.51999642 T T T # 118 Si119 0.62576228 0.64095993 0.68677149 T T T # 119 Si120 0.62502403 0.16223898 0.43545356 T T T # 120 Si121 0.49798421 0.23164724 0.60198368 F F F # 121 Si122 0.99872768 0.57184843 0.52016570 T T T # 122 Si123 0.62296833 0.23167256 0.68697447 F F F # 123 Si124 0.62295421 0.57177660 0.43556174 T T T # 124 Si125 0.49794753 0.50359739 0.60288847 F F F # 125 Si126 0.49794753 0.29984398 0.51955514 F F F # 126 Si127 0.62294753 0.50359739 0.68622180 F F F # 127 Si128 0.62294753 0.29984398 0.43622180 F F F # 128 Si129 0.49794753 0.36776178 0.93622180 F F F # 129 Si130 0.49794753 0.43567959 0.85288847 F F F # 130 Si131 0.62294753 0.36776178 0.01955514 F F F # 131 Si132 0.62294753 0.43567959 0.76955514 F F F # 132 Si133 0.50070972 0.64089704 0.93628294 T T T # 133 Si134 0.49997686 0.16221141 0.85337534 T T T # 134 Si135 0.62542476 0.64096199 0.02057990 T T T # 135 Si136 0.62501174 0.16216909 0.76884681 T T T # 136 Si137 0.49801148 0.23165721 0.93542382 F F F # 137 Si138 0.99827447 0.57158624 0.85359398 T T T # 138 Si139 0.62299008 0.23166880 0.02038697 F F F # 139 Si140 0.62352596 0.57156308 0.76878653 T T T # 140 Si141 0.49794753 0.50359739 0.93622180 F F F # 141 Si142 0.49794753 0.29984398 0.85288847 F F F # 142 Si143 0.62294753 0.50359739 0.01955514 F F F # 143 Si144 0.62294753 0.29984398 0.76955514 F F F # 144 Si145 0.74794753 0.36776178 0.26955514 F F F # 145 Si146 0.74794753 0.43567959 0.18622180 F F F # 146 Si147 0.87294753 0.36776178 0.35288847 F F F # 147 Si148 0.87294753 0.43567959 0.10288847 F F F # 148 Si149 0.75013971 0.64097328 0.26888601 T T T # 149 Si150 0.74976381 0.16211372 0.18674656 T T T # 150 Si151 0.87557492 0.64091962 0.35290807 T T T # 151 Si152 0.87476796 0.16211491 0.10220566 T T T # 152 Si153 0.74803795 0.23165192 0.26860341 F F F # 153 Si154 0.74816048 0.57157693 0.18687193 T T T # 154 Si155 0.87304970 0.23172881 0.35353154 F F F # 155 Si156 0.87265599 0.57151204 0.10152244 T T T # 156 Si157 0.74794753 0.50359739 0.26955514 F F F # 157 Si158 0.74794753 0.29984398 0.18622180 F F F # 158 Si159 0.87294753 0.50359739 0.35288847 F F F # 159 Si160 0.87294753 0.29984398 0.10288847 F F F # 160 Si161 0.74794753 0.36776178 0.60288847 F F F # 161 Si162 0.74794753 0.43567959 0.51955514 F F F # 162 Si163 0.87294753 0.36776178 0.68622180 F F F # 163 Si164 0.87294753 0.43567959 0.43622180 F F F # 164 Si165 0.75084358 0.64099988 0.60223593 T T T # 165 Si166 0.75004481 0.16220395 0.52002464 T T T # 166 Si167 0.87620044 0.64120711 0.68633940 T T T # 167 Si168 0.87500339 0.16222223 0.43544151 T T T # 168 Si169 0.74799225 0.23166441 0.60203986 F F F # 169 Si170 0.74829515 0.57163438 0.52019874 T T T # 170 Si171 0.87301379 0.23166265 0.68698121 F F F # 171 Si172 0.87338636 0.57168878 0.43543479 T T T # 172 Si173 0.74794753 0.50359739 0.60288847 F F F # 173 Si174 0.74794753 0.29984398 0.51955514 F F F # 174 Si175 0.87294753 0.50359739 0.68622180 F F F # 175 Si176 0.87294753 0.29984398 0.43622180 F F F # 176 Si177 0.74794753 0.36776178 0.93622180 F F F # 177 Si178 0.74794753 0.43567959 0.85288847 F F F # 178 Si179 0.87294753 0.36776178 0.01955514 F F F # 179 Si180 0.87294753 0.43567959 0.76955514 F F F # 180 Si181 0.75000004 0.64098850 0.93536969 T T T # 181 Si182 0.74998137 0.16222028 0.85340447 T T T # 182 Si183 0.87477554 0.64099719 0.01974917 T T T # 183 Si184 0.87500175 0.16215682 0.76884913 T T T # 184 Si185 0.74801073 0.23166477 0.93547286 F F F # 185 Si186 0.74847806 0.57158797 0.85345023 T T T # 186 Si187 0.87301289 0.23167066 0.02038625 F F F # 187 Si188 0.87352010 0.57175814 0.76844415 T T T # 188 Si189 0.74794753 0.50359739 0.93622180 F F F # 189 Si190 0.74794753 0.29984398 0.85288847 F F F # 190 Si191 0.87294753 0.50359739 0.01955514 F F F # 191 Si192 0.87294753 0.29984398 0.76955514 F F F # 192 Si193 0.37268986 0.80419854 0.57958318 T T T # 193 Si194 0.00500314 0.11635316 0.25255975 T T T # 194 O1 0.12999522 0.11637256 0.03638000 T T T # 195 O2 0.00519207 0.11639618 0.58574891 T T T # 196 O3 0.13006016 0.11648217 0.36960491 T T T # 197 O4 0.00506240 0.11641307 0.91914565 T T T # 198 O5 0.13016302 0.11643219 0.70304341 T T T # 199 O6 0.25500117 0.11635014 0.25253433 T T T # 200 O7 0.37998753 0.11637345 0.03637844 T T T # 201 O8 0.25520568 0.11647333 0.58581921 T T T # 202 O9 0.38006280 0.11649347 0.36957908 T T T # 203 O10 0.25504546 0.11642401 0.91915477 T T T # 204 O11 0.38019753 0.11638585 0.70308761 T T T # 205 O12 0.00414356 0.68619114 0.20095862 T T T # 206 O13 0.12722173 0.69057913 0.40521004 T T T # 207 O14 0.00951276 0.68717955 0.53748133 T T T # 208 O15 0.13000385 0.68687238 0.75388725 T T T # 209 O16 0.00473277 0.68689488 0.86986868 T T T # 210 O17 0.12938377 0.68698758 0.08543684 T T T # 211 O18 0.25558602 0.68633775 0.20078581 T T T # 212 O19 0.37494913 0.68686498 0.41683254 T T T # 213 O20 0.26016151 0.68746122 0.54177891 T T T # 214 O21 0.38188958 0.68497497 0.75733559 T T T # 215 O22 0.25486276 0.68694174 0.87047777 T T T # 216 O23 0.38044779 0.68685267 0.08583155 T T T # 217 O24 0.50500745 0.11636593 0.25255860 T T T # 218 O29 0.62998714 0.11636622 0.03638733 T T T # 219 O30 0.50524668 0.11642118 0.58576542 T T T # 220 O31 0.63007355 0.11650185 0.36958761 T T T # 221 O32 0.50505274 0.11642968 0.91916195 T T T # 222 O33 0.63020739 0.11640155 0.70307373 T T T # 223 O34 0.75500654 0.11636288 0.25255491 T T T # 224 O35 0.88000378 0.11637480 0.03637354 T T T # 225 O36 0.75520528 0.11639291 0.58574398 T T T # 226 O37 0.88003698 0.11645563 0.36963361 T T T # 227 O38 0.75505639 0.11642194 0.91915638 T T T # 228 O39 0.88017005 0.11638196 0.70307775 T T T # 229 O40 0.50516054 0.68699555 0.20306225 T T T # 230 O41 0.63174657 0.68667758 0.41833314 T T T # 231 O42 0.50124470 0.68777930 0.54038077 T T T # 232 O43 0.63059759 0.68665203 0.75298306 T T T # 233 O44 0.50646324 0.68662123 0.87054458 T T T # 234 O45 0.63031762 0.68683702 0.08615883 T T T # 235 O46 0.75512630 0.68683296 0.20318963 T T T # 236 O47 0.88227420 0.68655033 0.41883277 T T T # 237 O48 0.75553482 0.68665604 0.53619253 T T T # 238 O49 0.88051167 0.68694654 0.75240085 T T T # 239 O50 0.75529910 0.68680014 0.86969305 T T T # 240 O51 0.87911835 0.68697265 0.08507848 T T T # 241 O52 0.29708828 0.78091784 0.54166358 T T T # 242 O53 0.41923702 0.77906187 0.64781672 T T T # 243 O54 0.43761191 0.82557781 0.51062584 T T T # 244 O55 0.28508293 0.84437882 0.62406256 T T T # 245 O56 0.45603994 0.11381769 0.29235740 T T T # 246 H1 0.08104653 0.11381919 0.99658045 T T T # 247 H2 0.45625898 0.11381436 0.62548876 T T T # 248 H3 0.08104316 0.11391909 0.32987515 T T T # 249 H4 0.45606440 0.11387542 0.95890628 T T T # 250 H5 0.08121193 0.11389418 0.66324780 T T T # 251 H6 0.20604068 0.11379499 0.29233297 T T T # 252 H7 0.33104048 0.11382478 0.99657543 T T T # 253 H8 0.20622818 0.11391083 0.62557077 T T T # 254 H9 0.33103742 0.11391263 0.32986430 T T T # 255 H10 0.20605925 0.11387333 0.95890462 T T T # 256 H11 0.33126064 0.11383727 0.66328401 T T T # 257 H12 0.45629945 0.68946244 0.16310348 T T T # 258 H13 0.09237508 0.69158182 0.45576234 T T T # 259 H14 0.08084465 0.68918996 0.79358801 T T T # 260 H16 0.45733689 0.68839392 0.83034936 T T T # 261 H17 0.08040815 0.68924386 0.12547685 T T T # 262 H18 0.20617073 0.68933819 0.16156468 T T T # 263 H19 0.32611523 0.68816478 0.45688203 T T T # 264 H20 0.33199265 0.68790631 0.79615123 T T T # 265 H22 0.20599524 0.68929724 0.83043730 T T T # 266 H23 0.33132856 0.68913775 0.12579177 T T T # 267 H24 0.16701637 0.83464604 0.67506118 T T T # 268 H35 0.20812891 0.91888881 0.68924113 T T T # 269 H38 0.95603452 0.11379488 0.29234578 T T T # 270 H45 0.58104662 0.11381849 0.99657623 T T T # 271 H46 0.95621938 0.11384165 0.62550464 T T T # 272 H47 0.58105232 0.11393618 0.32986146 T T T # 273 H48 0.95607461 0.11385026 0.95888925 T T T # 274 H49 0.58125701 0.11385431 0.66328223 T T T # 275 H50 0.70604300 0.11382778 0.29235918 T T T # 276 H51 0.83105445 0.11381791 0.99657449 T T T # 277 H52 0.70624435 0.11383906 0.62551443 T T T # 278 H53 0.83103946 0.11390302 0.32988094 T T T # 279 H54 0.70606934 0.11385347 0.95889855 T T T # 280 H55 0.83122351 0.11384218 0.66328180 T T T # 281 H56 0.95502528 0.68900761 0.16138741 T T T # 282 H57 0.58425048 0.69339693 0.45290262 T T T # 283 H58 0.96240553 0.68968821 0.49600937 T T T # 284 H59 0.58204017 0.68863197 0.79338158 T T T # 285 H60 0.95591312 0.68932261 0.82985169 T T T # 286 H61 0.58131956 0.68930724 0.12595687 T T T # 287 H62 0.70609849 0.68932004 0.16345547 T T T # 288 H63 0.83380654 0.68916669 0.45896727 T T T # 289 H64 0.42554376 0.70644996 0.51642210 T T T # 290 H65 0.83143761 0.68925857 0.79207476 T T T # 291 H66 0.70650600 0.68919524 0.82964927 T T T # 292 H67 0.83039037 0.68935469 0.12517056 T T T # 293 H68 0.52482448 0.77450475 0.68807704 T T T # 294 H69 0.50175118 0.82224427 0.65691505 T T T # 295 H70 0.51560723 0.82164596 0.80829203 T T T # 296 H71 0.44539920 0.78606338 0.80910413 T T T # 297 H72 0.42643184 0.83429816 0.77899382 T T T # 298 H73 0.52728912 0.78866999 0.51114515 T T T # 299 H74 0.48727279 0.79894362 0.41944213 T T T # 300 H75 0.60512418 0.83885611 0.41655797 T T T # 301 H76 0.57198646 0.86195621 0.49976270 T T T # 302 H77 0.53106461 0.87242827 0.40871313 T T T # 303 H78 0.25526793 0.81779728 0.73584732 T T T # 304 H80 0.18660094 0.89277323 0.78298492 T T T # 305 H81 0.29373062 0.90145143 0.75267072 T T T # 306 H83 0.29587804 0.81478125 0.43047744 T T T # 307 H84 0.23344191 0.76605873 0.43514303 T T T # 308 H85 0.14570469 0.83355082 0.43029928 T T T # 309 H86 0.19695508 0.85573553 0.51813312 T T T # 310 H87 0.13559601 0.80641963 0.52569949 T T T # 311 H88 0.25908775 0.72142778 0.55875594 T T T # 312 H89 0.70687791 0.68859844 0.49597448 T T T # 313 H79 0.48202471 0.79713622 0.68969858 T T T # 314 C9 0.46606896 0.81058047 0.77653127 T T T # 315 C10 0.50238307 0.81263688 0.47174239 T T T # 316 C11 0.55560290 0.84860060 0.44787863 T T T # 317 C12 0.23170951 0.84440652 0.69337740 T T T # 318 C13 0.23009041 0.89220074 0.73167522 T T T # 319 C14 0.25267306 0.79620634 0.46815650 T T T # 320 C15 0.17858905 0.82465530 0.48733333 T T T # 321 C16