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 0.91788486 0.33887197 0.14359256 F F F # 1 Si1 0.91788486 0.40233143 0.06025923 F F F # 2 Si2 0.08455153 0.33887197 0.22692589 F F F # 3 Si3 0.08455153 0.40233143 0.97692589 F F F # 4 Si4 0.92000404 0.59369885 0.14072442 T T T # 5 Si5 0.91486745 0.14679961 0.06087361 T T T # 6 Si6 0.08646548 0.59510742 0.22449025 T T T # 7 Si7 0.08155098 0.14676115 0.97617966 T T T # 8 Si8 0.91730409 0.21174429 0.14268397 T T T # 9 Si9 0.91691864 0.52890512 0.06023107 T T T # 10 Si10 0.08396994 0.21172759 0.22775561 T T T # 11 Si11 0.08383549 0.52903379 0.97638832 T T T # 12 Si12 0.91788486 0.46579089 0.14359256 F F F # 13 Si13 0.91788486 0.27541251 0.06025923 F F F # 14 Si14 0.08455153 0.46579089 0.22692589 F F F # 15 Si15 0.08455153 0.27541251 0.97692589 F F F # 16 Si16 0.91788486 0.33887197 0.47692589 F F F # 17 Si17 0.91788486 0.40233143 0.39359256 F F F # 18 Si18 0.08455153 0.33887197 0.56025923 F F F # 19 Si19 0.08455153 0.40233143 0.31025923 F F F # 20 Si20 0.92444867 0.59421512 0.47646226 T T T # 21 Si21 0.91467411 0.14677895 0.39422590 T T T # 22 Si22 0.09036204 0.59336070 0.56157302 T T T # 23 Si23 0.08138108 0.14676902 0.30953383 T T T # 24 Si24 0.91737032 0.21173002 0.47599374 T T T # 25 Si25 0.91996392 0.52946433 0.39408108 T T T # 26 Si26 0.08400959 0.21174443 0.56108689 T T T # 27 Si27 0.08589990 0.53033950 0.30829177 T T T # 28 Si28 0.91788486 0.46579089 0.47692589 F F F # 29 Si29 0.91788486 0.27541251 0.39359256 F F F # 30 Si30 0.08455153 0.46579089 0.56025923 F F F # 31 Si31 0.08455153 0.27541251 0.31025923 F F F # 32 Si32 0.91788486 0.33887197 0.81025923 F F F # 33 Si33 0.91788486 0.40233143 0.72692589 F F F # 34 Si34 0.08455153 0.33887197 0.89359256 F F F # 35 Si35 0.08455153 0.40233143 0.64359256 F F F # 36 Si36 0.92121711 0.59422392 0.80964625 T T T # 37 Si37 0.91469522 0.14677993 0.72751521 T T T # 38 Si38 0.08671382 0.59389375 0.89551817 T T T # 39 Si39 0.08130260 0.14682639 0.64288063 T T T # 40 Si40 0.91769927 0.21172391 0.80935988 T T T # 41 Si41 0.91893907 0.52936716 0.72767979 T T T # 42 Si42 0.08439678 0.21173431 0.89443156 T T T # 43 Si43 0.08662390 0.52911833 0.64384433 T T T # 44 Si44 0.91788486 0.46579089 0.81025923 F F F # 45 Si45 0.91788486 0.27541251 0.72692589 F F F # 46 Si46 0.08455153 0.46579089 0.89359256 F F F # 47 Si47 0.08455153 0.27541251 0.64359256 F F F # 48 Si48 0.25121819 0.33887197 0.14359256 F F F # 49 Si49 0.25121819 0.40233143 0.06025923 F F F # 50 Si50 0.41788486 0.33887197 0.22692589 F F F # 51 Si51 0.41788486 0.40233143 0.97692589 F F F # 52 Si52 0.25320998 0.59395529 0.14092980 T T T # 53 Si53 0.24819106 0.14678201 0.06087293 T T T # 54 Si54 0.41891313 0.59435951 0.22620913 T T T # 55 Si55 0.41488044 0.14675781 0.97618555 T T T # 56 Si56 0.25063301 0.21173691 0.14266736 T T T # 57 Si57 0.25125470 0.52899880 0.06047288 T T T # 58 Si58 0.41727650 0.21173565 0.22775380 T T T # 59 Si59 0.41861792 0.52888111 0.97700227 T T T # 60 Si60 0.25121819 0.46579089 0.14359256 F F F # 61 Si61 0.25121819 0.27541251 0.06025923 F F F # 62 Si62 0.41788486 0.46579089 0.22692589 F F F # 63 Si63 0.41788486 0.27541251 0.97692589 F F F # 64 Si64 0.25121819 0.33887197 0.47692589 F F F # 65 Si65 0.25121819 0.40233143 0.39359256 F F F # 66 Si66 0.41788486 0.33887197 0.56025923 F F F # 67 Si67 0.41788486 0.40233143 0.31025923 F F F # 68 Si68 0.25932984 0.59330962 0.47881305 T T T # 69 Si69 0.24799019 0.14679461 0.39420021 T T T # 70 Si70 0.42665463 0.59705349 0.56042429 T T T # 71 Si71 0.41472169 0.14678250 0.30953066 T T T # 72 Si72 0.25067334 0.21173920 0.47601064 T T T # 73 Si73 0.25217133 0.53020690 0.39355809 T T T # 74 Si74 0.41737295 0.21176675 0.56103485 T T T # 75 Si75 0.41894801 0.52958226 0.30856778 T T T # 76 Si76 0.25121819 0.46579089 0.47692589 F F F # 77 Si77 0.25121819 0.27541251 0.39359256 F F F # 78 Si78 0.41788486 0.46579089 0.56025923 F F F # 79 Si79 0.41788486 0.27541251 0.31025923 F F F # 80 Si80 0.25121819 0.33887197 0.81025923 F F F # 81 Si81 0.25121819 0.40233143 0.72692589 F F F # 82 Si82 0.41788486 0.33887197 0.89359256 F F F # 83 Si83 0.41788486 0.40233143 0.64359256 F F F # 84 Si84 0.25396343 0.59471729 0.81264288 T T T # 85 Si85 0.24803137 0.14678574 0.72751499 T T T # 86 Si86 0.42046700 0.59363835 0.89634824 T T T # 87 Si87 0.41465762 0.14687142 0.64287379 T T T # 88 Si88 0.25101639 0.21172293 0.80937170 T T T # 89 Si89 0.25353063 0.53017225 0.72875055 T T T # 90 Si90 0.41772308 0.21173017 0.89443623 T T T # 91 Si91 0.42018657 0.53106474 0.64305157 T T T # 92 Si92 0.25121819 0.46579089 0.81025923 F F F # 93 Si93 0.25121819 0.27541251 0.72692589 F F F # 94 Si94 0.41788486 0.46579089 0.89359256 F F F # 95 Si95 0.41788486 0.27541251 0.64359256 F F F # 96 Si96 0.58455153 0.33887197 0.14359256 F F F # 97 Si97 0.58455153 0.40233143 0.06025923 F F F # 98 Si98 0.75121819 0.33887197 0.22692589 F F F # 99 Si99 0.75121819 0.40233143 0.97692589 F F F # 100 Si100 0.58747636 0.59459462 0.14339565 T T T # 101 Si101 0.58152499 0.14680713 0.06087608 T T T # 102 Si102 0.75547104 0.59424953 0.22682319 T T T # 103 Si103 0.74821643 0.14678010 0.97618033 T T T # 104 Si104 0.58396852 0.21175211 0.14270008 T T T # 105 Si105 0.58512041 0.52949644 0.06164077 T T T # 106 Si106 0.75063842 0.21173769 0.22776700 T T T # 107 Si107 0.75076918 0.52946460 0.97545571 T T T # 108 Si108 0.58455153 0.46579089 0.14359256 F F F # 109 Si109 0.58455153 0.27541251 0.06025923 F F F # 110 Si110 0.75121819 0.46579089 0.22692589 F F F # 111 Si111 0.75121819 0.27541251 0.97692589 F F F # 112 Si112 0.58455153 0.33887197 0.47692589 F F F # 113 Si113 0.58455153 0.40233143 0.39359256 F F F # 114 Si114 0.75121819 0.33887197 0.56025923 F F F # 115 Si115 0.75121819 0.40233143 0.31025923 F F F # 116 Si116 0.59030618 0.59267236 0.47319303 T T T # 117 Si117 0.58132789 0.14679222 0.39421021 T T T # 118 Si118 0.75586585 0.59338635 0.55929364 T T T # 119 Si119 0.74806542 0.14678829 0.30954282 T T T # 120 Si120 0.58404614 0.21173431 0.47597066 T T T # 121 Si121 0.58707032 0.52844723 0.39194340 T T T # 122 Si122 0.75069601 0.21176458 0.56106361 T T T # 123 Si123 0.75372809 0.52931140 0.30845165 T T T # 124 Si124 0.58455153 0.46579089 0.47692589 F F F # 125 Si125 0.58455153 0.27541251 0.39359256 F F F # 126 Si126 0.75121819 0.46579089 0.56025923 F F F # 127 Si127 0.75121819 0.27541251 0.31025923 F F F # 128 Si128 0.58455153 0.33887197 0.81025923 F F F # 129 Si129 0.58455153 0.40233143 0.72692589 F F F # 130 Si130 0.75121819 0.33887197 0.89359256 F F F # 131 Si131 0.75121819 0.40233143 0.64359256 F F F # 132 Si132 0.58527609 0.59384124 0.81043130 T T T # 133 Si133 0.58138001 0.14678548 0.72750639 T T T # 134 Si134 0.75341158 0.59448614 0.89334310 T T T # 135 Si135 0.74799190 0.14685767 0.64285280 T T T # 136 Si136 0.58433465 0.21171872 0.80936006 T T T # 137 Si137 0.58580750 0.52925769 0.72809154 T T T # 138 Si138 0.75104637 0.21174267 0.89440017 T T T # 139 Si139 0.75244787 0.52918812 0.64271020 T T T # 140 Si140 0.58455153 0.46579089 0.81025923 F F F # 141 Si141 0.58455153 0.27541251 0.72692589 F F F # 142 Si142 0.75121819 0.46579089 0.89359256 F F F # 143 Si143 0.75121819 0.27541251 0.64359256 F F F # 144 Si144 0.72426269 0.77352296 0.56041467 T T T # 145 Si145 0.61045196 0.77836894 0.38525398 T T T # 146 Si146 0.45934743 0.74616078 0.54002867 T T T # 147 Si147 0.92547595 0.63679185 0.07540454 T T T # 148 O1 0.90814813 0.10401669 0.12672556 T T T # 149 O2 0.09254002 0.64035989 0.28075431 T T T # 150 O3 0.07471854 0.10396369 0.91038694 T T T # 151 O4 0.93327165 0.63709108 0.41129772 T T T # 152 O5 0.90810838 0.10399109 0.46009774 T T T # 153 O6 0.09792641 0.63640874 0.62706704 T T T # 154 O7 0.07482417 0.10398680 0.24367732 T T T # 155 O8 0.92881551 0.63693214 0.74323854 T T T # 156 O9 0.90804574 0.10394112 0.79324308 T T T # 157 O10 0.09255513 0.63691085 0.96088452 T T T # 158 O11 0.07474026 0.10404363 0.57700759 T T T # 159 O12 0.26107255 0.63689859 0.07532749 T T T # 160 O13 0.24147183 0.10401010 0.12673486 T T T # 161 O14 0.42208638 0.63734255 0.29195881 T T T # 162 O15 0.40808392 0.10395863 0.91039232 T T T # 163 O16 0.26619371 0.63870850 0.41709492 T T T # 164 O17 0.24143983 0.10402766 0.46011240 T T T # 165 O18 0.42349371 0.64577771 0.60430662 T T T # 166 O19 0.40817222 0.10400484 0.24365899 T T T # 167 O20 0.26178507 0.63958280 0.75531366 T T T # 168 O21 0.24143275 0.10393715 0.79322974 T T T # 169 O22 0.42895245 0.63661371 0.96179111 T T T # 170 O23 0.40808871 0.10409902 0.57695537 T T T # 171 O24 0.59447449 0.63722750 0.07717489 T T T # 172 O25 0.57484208 0.10403730 0.12675485 T T T # 173 O26 0.76572095 0.63704547 0.29223441 T T T # 174 O27 0.74137629 0.10397981 0.91039296 T T T # 175 O28 0.59525009 0.63623475 0.40771392 T T T # 176 O29 0.57478452 0.10400929 0.46010468 T T T # 177 O30 0.75874269 0.63558328 0.62722274 T T T # 178 O31 0.74153804 0.10401502 0.24363805 T T T # 179 O32 0.58879738 0.63677002 0.74423218 T T T # 180 O33 0.57474378 0.10392852 0.79319657 T T T # 181 O34 0.75975608 0.63743778 0.95892699 T T T # 182 O35 0.74139196 0.10407968 0.57694785 T T T # 183 O36 0.59308028 0.83120642 0.36218089 T T T # 184 O37 0.41184717 0.77993469 0.60870839 T T T # 185 O38 0.70662513 0.82313197 0.59599746 T T T # 186 O39 0.31292558 0.70608527 0.53024304 T T T # 187 O40 0.63933861 0.74842891 0.30421233 T T T # 188 O41 0.84757247 0.75826285 0.60204044 T T T # 189 O42 0.86039962 0.63908595 0.03536375 T T T # 190 H1 0.97348770 0.10176669 0.16652839 T T T # 191 H2 0.04427406 0.64140362 0.33048220 T T T # 192 H3 0.14001625 0.10167317 0.87057594 T T T # 193 H4 0.87065186 0.63895218 0.36941922 T T T # 194 H5 0.97340980 0.10180018 0.49997368 T T T # 195 H6 0.03436768 0.63857681 0.66830980 T T T # 196 H7 0.14013175 0.10178178 0.20382198 T T T # 197 H8 0.86339155 0.63886240 0.70348098 T T T # 198 H9 0.97333046 0.10169570 0.83307954 T T T # 199 H10 0.02719412 0.63914035 0.00085997 T T T # 200 H11 0.14006698 0.10184813 0.53716979 T T T # 201 H12 0.19525212 0.63938415 0.03579659 T T T # 202 H13 0.30680546 0.10175897 0.16654136 T T T # 203 H14 0.35357386 0.63996937 0.32878200 T T T # 204 H15 0.47337396 0.10167426 0.87057300 T T T # 205 H16 0.27243478 0.66646760 0.44637503 T T T # 206 H17 0.30675071 0.10186571 0.49999147 T T T # 207 H18 0.34051586 0.67580026 0.57088470 T T T # 208 H19 0.47347551 0.10182677 0.20379097 T T T # 209 H20 0.21110384 0.64055980 0.70685478 T T T # 210 H21 0.30670284 0.10170804 0.83308199 T T T # 211 H22 0.36288524 0.63912289 0.00122981 T T T # 212 H23 0.47342795 0.10191989 0.53711279 T T T # 213 H24 0.52918583 0.63900798 0.03692709 T T T # 214 H25 0.64017664 0.10182188 0.16657685 T T T # 215 H26 0.69992828 0.64039428 0.33122981 T T T # 216 H27 0.80667075 0.10169275 0.87057366 T T T # 217 H28 0.52862601 0.63814395 0.36904035 T T T # 218 H29 0.64008431 0.10188021 0.50000782 T T T # 219 H30 0.69189539 0.63688839 0.66587964 T T T # 220 H31 0.80684585 0.10186175 0.20376371 T T T # 221 H32 0.51887019 0.64215537 0.71070210 T T T # 222 H33 0.64000752 0.10168865 0.83305017 T T T # 223 H34 0.69486227 0.63946780 0.99912570 T T T # 224 H35 0.80675107 0.10188619 0.53712714 T T T # 225 H36 0.79672962 0.76492506 0.72452971 T T T # 226 H37 0.92441462 0.73436358 0.70498162 T T T # 227 H38 0.97222780 0.80684044 0.76578542 T T T # 228 H39 0.89703626 0.83441374 0.68530609 T T T # 229 H40 0.02534687 0.80427658 0.66355841 T T T # 230 H41 0.32106892 0.83351913 0.56531702 T T T # 231 H42 0.23580013 0.79025045 0.60452724 T T T # 232 H43 0.23745148 0.85060672 0.70433562 T T T # 233 H44 0.39228892 0.84757697 0.70814901 T T T # 234 H45 0.30537856 0.80296513 0.74585858 T T T # 235 H46 0.29383508 0.79046109 0.45117590 T T T # 236 H47 0.40095915 0.83027526 0.43613397 T T T # 237 H48 0.26225332 0.82609687 0.32021089 T T T # 238 H49 0.30111574 0.77035958 0.30233841 T T T # 239 H50 0.40382328 0.81327806 0.28748600 T T T # 240 H51 0.52244217 0.72130474 0.22351628 T T T # 241 H52 0.52851405 0.77977275 0.22199657 T T T # 242 H53 0.62638614 0.74681414 0.09969895 T T T # 243 H54 0.72449517 0.71856949 0.16495928 T T T # 244 H55 0.72618730 0.77711335 0.16097650 T T T # 245 H56 0.14212868 0.69516915 0.56969139 T T T # 246 H57 0.18958378 0.74904789 0.59005801 T T T # 247 H58 0.03332149 0.74671499 0.49062771 T T T # 248 H59 0.11891555 0.71386593 0.42283681 T T T # 249 H60 0.15949364 0.77006879 0.44552482 T T T # 250 H61 0.76668170 0.84862729 0.35200517 T T T # 251 H62 0.69009949 0.84410725 0.25716199 T T T # 252 H63 0.72440499 0.92255534 0.29079704 T T T # 253 H64 0.65328419 0.91536397 0.38713790 T T T # 254 H65 0.57381512 0.91066842 0.29327297 T T T # 255 H66 0.60078433 0.85574075 0.51115393 T T T # 256 H67 0.55019497 0.85435931 0.61438324 T T T # 257 H68 0.71694813 0.90166056 0.65783916 T T T # 258 H69 0.62908734 0.92759126 0.58111219 T T T # 259 H70 0.76594726 0.90342435 0.55440177 T T T # 260 H71 0.77377218 0.73677547 0.43637611 T T T # 261 H72 0.80853457 0.79300019 0.42761470 T T T # 262 H73 0.44164446 0.73256080 0.39800618 T T T # 263 H74 0.63898070 0.70269668 0.57049863 T T T # 264 H75 0.59059472 0.73433195 0.65574324 T T T # 265 H76 0.74164732 0.77009663 0.44873157 T T T # 266 C1 0.46491602 0.76307230 0.43057595 T T T # 267 C2 0.60209543 0.73432489 0.58884329 T T T # 268 C3 0.87567371 0.76379083 0.68695275 T T T # 269 C4 0.94676084 0.80493639 0.70115145 T T T # 270 C5 0.31528520 0.80898337 0.61464817 T T T # 271 C6 0.31234968 0.82872980 0.69851595 T T T # 272 C7 0.37042780 0.79813948 0.41469262 T T T # 273 C8 0.33243505 0.80199487 0.32605816 T T T # 274 C9 0.58136959 0.74969605 0.22701598 T T T # 275 C10 0.67012731 0.74797231 0.15909821 T T T # 276 C11 0.18871799 0.72332371 0.54429028 T T T # 277 C12 0.12276117 0.73935723 0.46970436 T T T # 278 C13 0.68330798 0.85527243 0.32126866 T T T # 279 C14 0.65703425 0.90398832 0.32336954 T T T # 280 C15 0.62804554 0.85748762 0.57590605 T T T # 281 C16 0.68883893 0.90045827 0.59356909 T T T # 282 C17