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 0.91924682 0.33950136 0.14233006 F F F # 1 Si1 0.91924682 0.40296082 0.05899673 F F F # 2 Si2 0.08591349 0.33950136 0.22566339 F F F # 3 Si3 0.08591349 0.40296082 0.97566339 F F F # 4 Si4 0.92133885 0.59422948 0.13935187 T T T # 5 Si5 0.91617064 0.14741865 0.05961590 T T T # 6 Si6 0.08766422 0.59567944 0.22317938 T T T # 7 Si7 0.08287428 0.14737415 0.97496873 T T T # 8 Si8 0.91854750 0.21234629 0.14147378 T T T # 9 Si9 0.91839524 0.52946098 0.05893394 T T T # 10 Si10 0.08525192 0.21233727 0.22651881 T T T # 11 Si11 0.08536779 0.52966126 0.97513805 T T T # 12 Si12 0.91924682 0.46642028 0.14233006 F F F # 13 Si13 0.91924682 0.27604190 0.05899673 F F F # 14 Si14 0.08591349 0.46642028 0.22566339 F F F # 15 Si15 0.08591349 0.27604190 0.97566339 F F F # 16 Si16 0.91924682 0.33950136 0.47566339 F F F # 17 Si17 0.91924682 0.40296082 0.39233006 F F F # 18 Si18 0.08591349 0.33950136 0.55899673 F F F # 19 Si19 0.08591349 0.40296082 0.30899673 F F F # 20 Si20 0.92569965 0.59464280 0.47526557 T T T # 21 Si21 0.91601489 0.14737520 0.39297966 T T T # 22 Si22 0.09181681 0.59388251 0.56013384 T T T # 23 Si23 0.08269874 0.14737342 0.30831960 T T T # 24 Si24 0.91866542 0.21235445 0.47477580 T T T # 25 Si25 0.92131418 0.52999955 0.39274832 T T T # 26 Si26 0.08530005 0.21236618 0.55983018 T T T # 27 Si27 0.08737406 0.53093094 0.30706964 T T T # 28 Si28 0.91924682 0.46642028 0.47566339 F F F # 29 Si29 0.91924682 0.27604190 0.39233006 F F F # 30 Si30 0.08591349 0.46642028 0.55899673 F F F # 31 Si31 0.08591349 0.27604190 0.30899673 F F F # 32 Si32 0.91924682 0.33950136 0.80899673 F F F # 33 Si33 0.91924682 0.40296082 0.72566339 F F F # 34 Si34 0.08591349 0.33950136 0.89233006 F F F # 35 Si35 0.08591349 0.40296082 0.64233006 F F F # 36 Si36 0.92269002 0.59478272 0.80849904 T T T # 37 Si37 0.91601431 0.14737378 0.72629733 T T T # 38 Si38 0.08825713 0.59451514 0.89426303 T T T # 39 Si39 0.08267505 0.14744144 0.64165188 T T T # 40 Si40 0.91897869 0.21233340 0.80810642 T T T # 41 Si41 0.92024419 0.52997130 0.72647139 T T T # 42 Si42 0.08568992 0.21233423 0.89318422 T T T # 43 Si43 0.08799759 0.52973396 0.64273041 T T T # 44 Si44 0.91924682 0.46642028 0.80899673 F F F # 45 Si45 0.91924682 0.27604190 0.72566339 F F F # 46 Si46 0.08591349 0.46642028 0.89233006 F F F # 47 Si47 0.08591349 0.27604190 0.64233006 F F F # 48 Si48 0.25258015 0.33950136 0.14233006 F F F # 49 Si49 0.25258015 0.40296082 0.05899673 F F F # 50 Si50 0.41924682 0.33950136 0.22566339 F F F # 51 Si51 0.41924682 0.40296082 0.97566339 F F F # 52 Si52 0.25460863 0.59458071 0.13977100 T T T # 53 Si53 0.24949494 0.14740059 0.05961549 T T T # 54 Si54 0.42020372 0.59499489 0.22515833 T T T # 55 Si55 0.41620397 0.14736947 0.97497427 T T T # 56 Si56 0.25187840 0.21233777 0.14145367 T T T # 57 Si57 0.25262085 0.52961609 0.05934334 T T T # 58 Si58 0.41855779 0.21234560 0.22651461 T T T # 59 Si59 0.41998836 0.52945526 0.97590707 T T T # 60 Si60 0.25258015 0.46642028 0.14233006 F F F # 61 Si61 0.25258015 0.27604190 0.05899673 F F F # 62 Si62 0.41924682 0.46642028 0.22566339 F F F # 63 Si63 0.41924682 0.27604190 0.97566339 F F F # 64 Si64 0.25258015 0.33950136 0.47566339 F F F # 65 Si65 0.25258015 0.40296082 0.39233006 F F F # 66 Si66 0.41924682 0.33950136 0.55899673 F F F # 67 Si67 0.41924682 0.40296082 0.30899673 F F F # 68 Si68 0.26082302 0.59387336 0.47741437 T T T # 69 Si69 0.24932995 0.14739263 0.39295793 T T T # 70 Si70 0.42881729 0.59869947 0.55906970 T T T # 71 Si71 0.41603484 0.14738800 0.30831567 T T T # 72 Si72 0.25197153 0.21236348 0.47478971 T T T # 73 Si73 0.25348905 0.53073487 0.39245445 T T T # 74 Si74 0.41866916 0.21238710 0.55978616 T T T # 75 Si75 0.42026234 0.53016933 0.30737336 T T T # 76 Si76 0.25258015 0.46642028 0.47566339 F F F # 77 Si77 0.25258015 0.27604190 0.39233006 F F F # 78 Si78 0.41924682 0.46642028 0.55899673 F F F # 79 Si79 0.41924682 0.27604190 0.30899673 F F F # 80 Si80 0.25258015 0.33950136 0.80899673 F F F # 81 Si81 0.25258015 0.40296082 0.72566339 F F F # 82 Si82 0.41924682 0.33950136 0.89233006 F F F # 83 Si83 0.41924682 0.40296082 0.64233006 F F F # 84 Si84 0.25555105 0.59521931 0.81135879 T T T # 85 Si85 0.24935125 0.14738080 0.72629731 T T T # 86 Si86 0.42184626 0.59415759 0.89526230 T T T # 87 Si87 0.41601409 0.14748407 0.64164142 T T T # 88 Si88 0.25230027 0.21233256 0.80811845 T T T # 89 Si89 0.25516020 0.53074450 0.72739463 T T T # 90 Si90 0.41901686 0.21232963 0.89318951 T T T # 91 Si91 0.42148879 0.53209353 0.64121129 T T T # 92 Si92 0.25258015 0.46642028 0.80899673 F F F # 93 Si93 0.25258015 0.27604190 0.72566339 F F F # 94 Si94 0.41924682 0.46642028 0.89233006 F F F # 95 Si95 0.41924682 0.27604190 0.64233006 F F F # 96 Si96 0.58591349 0.33950136 0.14233006 F F F # 97 Si97 0.58591349 0.40296082 0.05899673 F F F # 98 Si98 0.75258015 0.33950136 0.22566339 F F F # 99 Si99 0.75258015 0.40296082 0.97566339 F F F # 100 Si100 0.58871015 0.59523108 0.14227313 T T T # 101 Si101 0.58282665 0.14742572 0.05961649 T T T # 102 Si102 0.75687583 0.59480448 0.22550266 T T T # 103 Si103 0.74954049 0.14739497 0.97497052 T T T # 104 Si104 0.58521306 0.21235239 0.14149128 T T T # 105 Si105 0.58647738 0.53011867 0.06050569 T T T # 106 Si106 0.75192621 0.21234959 0.22653570 T T T # 107 Si107 0.75219165 0.53004246 0.97433423 T T T # 108 Si108 0.58591349 0.46642028 0.14233006 F F F # 109 Si109 0.58591349 0.27604190 0.05899673 F F F # 110 Si110 0.75258015 0.46642028 0.22566339 F F F # 111 Si111 0.75258015 0.27604190 0.97566339 F F F # 112 Si112 0.58591349 0.33950136 0.47566339 F F F # 113 Si113 0.58591349 0.40296082 0.39233006 F F F # 114 Si114 0.75258015 0.33950136 0.55899673 F F F # 115 Si115 0.75258015 0.40296082 0.30899673 F F F # 116 Si116 0.59147477 0.59319920 0.47181210 T T T # 117 Si117 0.58266767 0.14739319 0.39296821 T T T # 118 Si118 0.75713753 0.59373718 0.55799638 T T T # 119 Si119 0.74937705 0.14739244 0.30832920 T T T # 120 Si120 0.58535460 0.21235856 0.47475351 T T T # 121 Si121 0.58848004 0.52908926 0.39067428 T T T # 122 Si122 0.75199327 0.21237965 0.55981159 T T T # 123 Si123 0.75495992 0.52988945 0.30719977 T T T # 124 Si124 0.58591349 0.46642028 0.47566339 F F F # 125 Si125 0.58591349 0.27604190 0.39233006 F F F # 126 Si126 0.75258015 0.46642028 0.55899673 F F F # 127 Si127 0.75258015 0.27604190 0.30899673 F F F # 128 Si128 0.58591349 0.33950136 0.80899673 F F F # 129 Si129 0.58591349 0.40296082 0.72566339 F F F # 130 Si130 0.75258015 0.33950136 0.89233006 F F F # 131 Si131 0.75258015 0.40296082 0.64233006 F F F # 132 Si132 0.58677548 0.59424711 0.80945424 T T T # 133 Si133 0.58269370 0.14738050 0.72628754 T T T # 134 Si134 0.75487608 0.59500056 0.89225689 T T T # 135 Si135 0.74935094 0.14746502 0.64163210 T T T # 136 Si136 0.58561957 0.21232948 0.80810054 T T T # 137 Si137 0.58679222 0.52983665 0.72674954 T T T # 138 Si138 0.75234483 0.21234277 0.89316093 T T T # 139 Si139 0.75369764 0.52969655 0.64160747 T T T # 140 Si140 0.58591349 0.46642028 0.80899673 F F F # 141 Si141 0.58591349 0.27604190 0.72566339 F F F # 142 Si142 0.75258015 0.46642028 0.89233006 F F F # 143 Si143 0.75258015 0.27604190 0.64233006 F F F # 144 Si144 0.72503086 0.77217850 0.56579905 T T T # 145 Si145 0.61137644 0.77578364 0.39097749 T T T # 146 Si146 0.46669476 0.74261400 0.54527336 T T T # 147 Si147 0.92688274 0.63737885 0.07408812 T T T # 148 O1 0.90945861 0.10461492 0.12549140 T T T # 149 O2 0.09288773 0.64107973 0.27920963 T T T # 150 O3 0.07604266 0.10455509 0.90917433 T T T # 151 O4 0.93425745 0.63757732 0.40998842 T T T # 152 O5 0.90943315 0.10457059 0.45886659 T T T # 153 O6 0.09949885 0.63720873 0.62538553 T T T # 154 O7 0.07613817 0.10457217 0.24247225 T T T # 155 O8 0.93052173 0.63753254 0.74204389 T T T # 156 O9 0.90934547 0.10452508 0.79204176 T T T # 157 O10 0.09399698 0.63757433 0.95960987 T T T # 158 O11 0.07605397 0.10463333 0.57579104 T T T # 159 O12 0.26246462 0.63754466 0.07413534 T T T # 160 O13 0.24278672 0.10460683 0.12550074 T T T # 161 O14 0.42326422 0.63799900 0.29092676 T T T # 162 O15 0.40940979 0.10454763 0.90918169 T T T # 163 O16 0.26602186 0.63905895 0.41446326 T T T # 164 O17 0.24276327 0.10460562 0.45888070 T T T # 165 O18 0.43305709 0.64626813 0.60337308 T T T # 166 O19 0.40948886 0.10458706 0.24245979 T T T # 167 O20 0.26405270 0.64005387 0.75383681 T T T # 168 O21 0.24273124 0.10451945 0.79202455 T T T # 169 O22 0.43029397 0.63722637 0.96059445 T T T # 170 O23 0.40939866 0.10468872 0.57573702 T T T # 171 O24 0.59580810 0.63789398 0.07603248 T T T # 172 O25 0.57615754 0.10463444 0.12551982 T T T # 173 O26 0.76738734 0.63770787 0.29074840 T T T # 174 O27 0.74270008 0.10457187 0.90917987 T T T # 175 O28 0.59736665 0.63682504 0.40606457 T T T # 176 O29 0.57610820 0.10459194 0.45887814 T T T # 177 O30 0.76020799 0.63588599 0.62628905 T T T # 178 O31 0.74285147 0.10459535 0.24244267 T T T # 179 O32 0.59058565 0.63728267 0.74374105 T T T # 180 O33 0.57604013 0.10451216 0.79199434 T T T # 181 O34 0.76109991 0.63804609 0.95774010 T T T # 182 O35 0.74270820 0.10466580 0.57573591 T T T # 183 O36 0.59145842 0.82878345 0.37054579 T T T # 184 O37 0.40889576 0.77384440 0.61311499 T T T # 185 O38 0.70582354 0.82197480 0.59882017 T T T # 186 O39 0.28718136 0.70484373 0.52480379 T T T # 187 O40 0.64108036 0.74723017 0.30871818 T T T # 188 O41 0.84814456 0.75790383 0.60797457 T T T # 189 O42 0.86177598 0.63965829 0.03405290 T T T # 190 H1 0.97479360 0.10237810 0.16530544 T T T # 191 H2 0.04487949 0.64182028 0.32909304 T T T # 192 H3 0.14134197 0.10228460 0.86935919 T T T # 193 H4 0.87168754 0.63929758 0.36798774 T T T # 194 H5 0.97472776 0.10240587 0.49875611 T T T # 195 H6 0.03614236 0.63924912 0.66686214 T T T # 196 H7 0.14144280 0.10239282 0.20260601 T T T # 197 H8 0.86507857 0.63938107 0.70226454 T T T # 198 H9 0.97465067 0.10230597 0.83187093 T T T # 199 H10 0.02862601 0.63972557 0.99960233 T T T # 200 H11 0.14138392 0.10245525 0.53595176 T T T # 201 H12 0.19663973 0.64000138 0.03459868 T T T # 202 H13 0.30811481 0.10237039 0.16532015 T T T # 203 H14 0.35462715 0.64056204 0.32779750 T T T # 204 H15 0.47469877 0.10228623 0.86935496 T T T # 205 H16 0.26440058 0.66676421 0.44327016 T T T # 206 H17 0.30806621 0.10247026 0.49877432 T T T # 207 H18 0.30249848 0.68059836 0.56242683 T T T # 208 H19 0.47478770 0.10243613 0.20257959 T T T # 209 H20 0.21335259 0.64105360 0.70540781 T T T # 210 H21 0.30802122 0.10231506 0.83186932 T T T # 211 H22 0.36424117 0.63970520 0.00005348 T T T # 212 H23 0.47474514 0.10253005 0.53589569 T T T # 213 H24 0.53052615 0.63964281 0.03576271 T T T # 214 H25 0.64148705 0.10243055 0.16535296 T T T # 215 H26 0.70155355 0.64106130 0.32978604 T T T # 216 H27 0.80799503 0.10230475 0.86935594 T T T # 217 H28 0.53039577 0.63873021 0.36768387 T T T # 218 H29 0.64140174 0.10248499 0.49879314 T T T # 219 H30 0.69331691 0.63690443 0.66502821 T T T # 220 H31 0.80815438 0.10246845 0.20255523 T T T # 221 H32 0.52022881 0.64305567 0.71048306 T T T # 222 H33 0.64132396 0.10229890 0.83184179 T T T # 223 H34 0.69620037 0.64004025 0.99793630 T T T # 224 H35 0.80806941 0.10248759 0.53591514 T T T # 225 H36 0.79542157 0.76386092 0.73028186 T T T # 226 H37 0.92573732 0.73489281 0.71108425 T T T # 227 H38 0.96727843 0.80776950 0.77222895 T T T # 228 H39 0.88998093 0.83459457 0.69179518 T T T # 229 H40 0.02075726 0.80607672 0.66997524 T T T # 230 H41 0.30676054 0.82431416 0.56853256 T T T # 231 H42 0.23310727 0.77937953 0.61414517 T T T # 232 H43 0.22577652 0.84186677 0.70841294 T T T # 233 H44 0.38111025 0.84334971 0.70874102 T T T # 234 H45 0.30444699 0.79703704 0.75134143 T T T # 235 H46 0.29345284 0.78497750 0.45513554 T T T # 236 H47 0.39904780 0.82577855 0.44334772 T T T # 237 H48 0.26420769 0.82244408 0.32538297 T T T # 238 H49 0.30493913 0.76707243 0.30562751 T T T # 239 H50 0.40684159 0.81058964 0.29398851 T T T # 240 H51 0.52491970 0.72248068 0.22497107 T T T # 241 H52 0.53491482 0.78091227 0.22674413 T T T # 242 H53 0.63421867 0.74891217 0.10417382 T T T # 243 H54 0.72848956 0.71867833 0.16922076 T T T # 244 H55 0.73415361 0.77724846 0.16854828 T T T # 245 H56 0.11372843 0.69679088 0.55805872 T T T # 246 H57 0.16676420 0.75011633 0.57792310 T T T # 247 H58 0.02203969 0.75003798 0.47324649 T T T # 248 H59 0.10859267 0.71481908 0.40996271 T T T # 249 H60 0.15535741 0.77045305 0.43366181 T T T # 250 H61 0.76374505 0.84862125 0.36744373 T T T # 251 H62 0.69639206 0.84229593 0.26923631 T T T # 252 H63 0.72053284 0.92141260 0.30210654 T T T # 253 H64 0.64103581 0.91388154 0.39516976 T T T # 254 H65 0.57123385 0.90746882 0.29764951 T T T # 255 H66 0.59132550 0.85369013 0.51858323 T T T # 256 H67 0.54490832 0.84893723 0.62262394 T T T # 257 H68 0.70592343 0.89877354 0.66691634 T T T # 258 H69 0.61152966 0.92443947 0.59355848 T T T # 259 H70 0.75096189 0.90375588 0.56287678 T T T # 260 H71 0.77317323 0.73379753 0.44323866 T T T # 261 H72 0.80939604 0.78986525 0.43256714 T T T # 262 H73 0.44430242 0.72854031 0.40195201 T T T # 263 H74 0.64330799 0.70117404 0.57950922 T T T # 264 H75 0.59015584 0.73379222 0.66223360 T T T # 265 H76 0.74216950 0.76735017 0.45445043 T T T # 266 C1 0.46556267 0.75882766 0.43570970 T T T # 267 C2 0.60555981 0.73281971 0.59596926 T T T # 268 C3 0.87477230 0.76373290 0.69304934 T T T # 269 C4 0.94213656 0.80572277 0.70755101 T T T # 270 C5 0.30828760 0.80084481 0.62003948 T T T # 271 C6 0.30473342 0.82206992 0.70228496 T T T # 272 C7 0.37044908 0.79371753 0.42019256 T T T # 273 C8 0.33485376 0.79849868 0.33109502 T T T # 274 C9 0.58552695 0.75023185 0.23074590 T T T # 275 C10 0.67629826 0.74868897 0.16420295 T T T # 276 C11 0.16643046 0.72359991 0.53416668 T T T # 277 C12 0.11174780 0.74054203 0.45600306 T T T # 278 C13 0.68285028 0.85386886 0.33262750 T T T # 279 C14 0.65193688 0.90216395 0.33196446 T T T # 280 C15 0.62064313 0.85470788 0.58294398 T T T # 281 C16 0.67566035 0.89844598 0.60306770 T T T # 282 C17