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 0.92197075 0.34076016 0.13980507 F F F # 1 Si1 0.92197075 0.40421962 0.05647174 F F F # 2 Si2 0.08863742 0.34076016 0.22313840 F F F # 3 Si3 0.08863742 0.40421962 0.97313840 F F F # 4 Si4 0.92403488 0.59530703 0.13658510 T T T # 5 Si5 0.91887259 0.14863209 0.05717604 T T T # 6 Si6 0.09009160 0.59688649 0.22048727 T T T # 7 Si7 0.08551545 0.14859844 0.97249754 T T T # 8 Si8 0.92122850 0.21359126 0.13899190 T T T # 9 Si9 0.92137687 0.53060448 0.05623906 T T T # 10 Si10 0.08788244 0.21357629 0.22407668 T T T # 11 Si11 0.08839927 0.53090742 0.97254505 T T T # 12 Si12 0.92197075 0.46767908 0.13980507 F F F # 13 Si13 0.92197075 0.27730070 0.05647174 F F F # 14 Si14 0.08863742 0.46767908 0.22313840 F F F # 15 Si15 0.08863742 0.27730070 0.97313840 F F F # 16 Si16 0.92197075 0.34076016 0.47313840 F F F # 17 Si17 0.92197075 0.40421962 0.38980507 F F F # 18 Si18 0.08863742 0.34076016 0.55647174 F F F # 19 Si19 0.08863742 0.40421962 0.30647174 F F F # 20 Si20 0.92831032 0.59549933 0.47260418 T T T # 21 Si21 0.91869683 0.14859722 0.39054589 T T T # 22 Si22 0.09464841 0.59506062 0.55748056 T T T # 23 Si23 0.08538251 0.14860079 0.30584867 T T T # 24 Si24 0.92140350 0.21358688 0.47226572 T T T # 25 Si25 0.92403936 0.53104878 0.38996536 T T T # 26 Si26 0.08801323 0.21360336 0.55733908 T T T # 27 Si27 0.09027276 0.53220974 0.30459391 T T T # 28 Si28 0.92197075 0.46767908 0.47313840 F F F # 29 Si29 0.92197075 0.27730070 0.38980507 F F F # 30 Si30 0.08863742 0.46767908 0.55647174 F F F # 31 Si31 0.08863742 0.27730070 0.30647174 F F F # 32 Si32 0.92197075 0.34076016 0.80647174 F F F # 33 Si33 0.92197075 0.40421962 0.72313840 F F F # 34 Si34 0.08863742 0.34076016 0.88980507 F F F # 35 Si35 0.08863742 0.40421962 0.63980507 F F F # 36 Si36 0.92570202 0.59603540 0.80604232 T T T # 37 Si37 0.91862946 0.14862529 0.72383789 T T T # 38 Si38 0.09131549 0.59582790 0.89171141 T T T # 39 Si39 0.08527406 0.14868624 0.63917500 T T T # 40 Si40 0.92168474 0.21356732 0.80565977 T T T # 41 Si41 0.92298720 0.53120448 0.72407156 T T T # 42 Si42 0.08837818 0.21356671 0.89072801 T T T # 43 Si43 0.09070598 0.53098114 0.64028693 T T T # 44 Si44 0.92197075 0.46767908 0.80647174 F F F # 45 Si45 0.92197075 0.27730070 0.72313840 F F F # 46 Si46 0.08863742 0.46767908 0.88980507 F F F # 47 Si47 0.08863742 0.27730070 0.63980507 F F F # 48 Si48 0.25530408 0.34076016 0.13980507 F F F # 49 Si49 0.25530408 0.40421962 0.05647174 F F F # 50 Si50 0.42197075 0.34076016 0.22313840 F F F # 51 Si51 0.42197075 0.40421962 0.97313840 F F F # 52 Si52 0.25737023 0.59586742 0.13743263 T T T # 53 Si53 0.25219758 0.14861061 0.05717604 T T T # 54 Si54 0.42274075 0.59634715 0.22305315 T T T # 55 Si55 0.41884453 0.14859021 0.97250411 T T T # 56 Si56 0.25455473 0.21358112 0.13896328 T T T # 57 Si57 0.25538319 0.53088056 0.05699786 T T T # 58 Si58 0.42118192 0.21358454 0.22407289 T T T # 59 Si59 0.42273732 0.53059438 0.97369779 T T T # 60 Si60 0.25530408 0.46767908 0.13980507 F F F # 61 Si61 0.25530408 0.27730070 0.05647174 F F F # 62 Si62 0.42197075 0.46767908 0.22313840 F F F # 63 Si63 0.42197075 0.27730070 0.97313840 F F F # 64 Si64 0.25530408 0.34076016 0.47313840 F F F # 65 Si65 0.25530408 0.40421962 0.38980507 F F F # 66 Si66 0.42197075 0.34076016 0.55647174 F F F # 67 Si67 0.42197075 0.40421962 0.30647174 F F F # 68 Si68 0.26337509 0.59548968 0.47418036 T T T # 69 Si69 0.25201391 0.14861459 0.39052519 T T T # 70 Si70 0.43187191 0.60220376 0.55506373 T T T # 71 Si71 0.41872073 0.14861790 0.30585026 T T T # 72 Si72 0.25470130 0.21359593 0.47226926 T T T # 73 Si73 0.25639897 0.53186694 0.39023146 T T T # 74 Si74 0.42139166 0.21363675 0.55725841 T T T # 75 Si75 0.42281368 0.53138240 0.30494968 T T T # 76 Si76 0.25530408 0.46767908 0.47313840 F F F # 77 Si77 0.25530408 0.27730070 0.38980507 F F F # 78 Si78 0.42197075 0.46767908 0.55647174 F F F # 79 Si79 0.42197075 0.27730070 0.30647174 F F F # 80 Si80 0.25530408 0.34076016 0.80647174 F F F # 81 Si81 0.25530408 0.40421962 0.72313840 F F F # 82 Si82 0.42197075 0.34076016 0.88980507 F F F # 83 Si83 0.42197075 0.40421962 0.63980507 F F F # 84 Si84 0.25870961 0.59628294 0.80870996 T T T # 85 Si85 0.25196020 0.14863354 0.72383693 T T T # 86 Si86 0.42451922 0.59526072 0.89314056 T T T # 87 Si87 0.41861295 0.14874159 0.63917087 T T T # 88 Si88 0.25501384 0.21356568 0.80567008 T T T # 89 Si89 0.25815938 0.53190792 0.72469300 T T T # 90 Si90 0.42170668 0.21355722 0.89074284 T T T # 91 Si91 0.42416881 0.53441573 0.63812728 T T T # 92 Si92 0.25530408 0.46767908 0.80647174 F F F # 93 Si93 0.25530408 0.27730070 0.72313840 F F F # 94 Si94 0.42197075 0.46767908 0.88980507 F F F # 95 Si95 0.42197075 0.27730070 0.63980507 F F F # 96 Si96 0.58863742 0.34076016 0.13980507 F F F # 97 Si97 0.58863742 0.40421962 0.05647174 F F F # 98 Si98 0.75530408 0.34076016 0.22313840 F F F # 99 Si99 0.75530408 0.40421962 0.97313840 F F F # 100 Si100 0.59123738 0.59653180 0.13992463 T T T # 101 Si101 0.58553575 0.14863748 0.05717670 T T T # 102 Si102 0.75969015 0.59596253 0.22281736 T T T # 103 Si103 0.75218184 0.14861496 0.97249903 T T T # 104 Si104 0.58789076 0.21359875 0.13901352 T T T # 105 Si105 0.58924800 0.53139173 0.05816268 T T T # 106 Si106 0.75455311 0.21358717 0.22409217 T T T # 107 Si107 0.75503572 0.53117860 0.97199430 T T T # 108 Si108 0.58863742 0.46767908 0.13980507 F F F # 109 Si109 0.58863742 0.27730070 0.05647174 F F F # 110 Si110 0.75530408 0.46767908 0.22313840 F F F # 111 Si111 0.75530408 0.27730070 0.97313840 F F F # 112 Si112 0.58863742 0.34076016 0.47313840 F F F # 113 Si113 0.58863742 0.40421962 0.38980507 F F F # 114 Si114 0.75530408 0.34076016 0.55647174 F F F # 115 Si115 0.75530408 0.40421962 0.30647174 F F F # 116 Si116 0.59450145 0.59451043 0.46900749 T T T # 117 Si117 0.58535090 0.14862094 0.39053900 T T T # 118 Si118 0.75994183 0.59447390 0.55543903 T T T # 119 Si119 0.75206207 0.14862314 0.30586906 T T T # 120 Si120 0.58810913 0.21359595 0.47224500 T T T # 121 Si121 0.59097167 0.53027521 0.38821179 T T T # 122 Si122 0.75471858 0.21361709 0.55732934 T T T # 123 Si123 0.75748758 0.53109776 0.30475906 T T T # 124 Si124 0.58863742 0.46767908 0.47313840 F F F # 125 Si125 0.58863742 0.27730070 0.38980507 F F F # 126 Si126 0.75530408 0.46767908 0.55647174 F F F # 127 Si127 0.75530408 0.27730070 0.30647174 F F F # 128 Si128 0.58863742 0.34076016 0.80647174 F F F # 129 Si129 0.58863742 0.40421962 0.72313840 F F F # 130 Si130 0.75530408 0.34076016 0.88980507 F F F # 131 Si131 0.75530408 0.40421962 0.63980507 F F F # 132 Si132 0.58967689 0.59495217 0.80771347 T T T # 133 Si133 0.58531429 0.14862947 0.72383211 T T T # 134 Si134 0.75797740 0.59609565 0.89001896 T T T # 135 Si135 0.75195245 0.14870822 0.63915329 T T T # 136 Si136 0.58831340 0.21356094 0.80565276 T T T # 137 Si137 0.58906860 0.53098626 0.72404239 T T T # 138 Si138 0.75503142 0.21357464 0.89070724 T T T # 139 Si139 0.75626713 0.53073295 0.63929848 T T T # 140 Si140 0.58863742 0.46767908 0.80647174 F F F # 141 Si141 0.58863742 0.27730070 0.72313840 F F F # 142 Si142 0.75530408 0.46767908 0.88980507 F F F # 143 Si143 0.75530408 0.27730070 0.63980507 F F F # 144 Si144 0.72507000 0.76957226 0.57678121 T T T # 145 Si145 0.61216631 0.77046031 0.40301816 T T T # 146 Si146 0.47267130 0.73178526 0.55689762 T T T # 147 Si147 0.92978893 0.63846681 0.07137960 T T T # 148 O1 0.91211928 0.10585000 0.12302020 T T T # 149 O2 0.09364412 0.64241839 0.27609919 T T T # 150 O3 0.07870952 0.10580050 0.90670043 T T T # 151 O4 0.93621871 0.63839981 0.40734201 T T T # 152 O5 0.91209618 0.10580932 0.45640940 T T T # 153 O6 0.10270900 0.63880636 0.62194756 T T T # 154 O7 0.07880074 0.10582661 0.23999250 T T T # 155 O8 0.93401242 0.63868969 0.73954415 T T T # 156 O9 0.91200748 0.10578537 0.78956071 T T T # 157 O10 0.09694129 0.63884860 0.95703139 T T T # 158 O11 0.07870484 0.10589221 0.57331133 T T T # 159 O12 0.26530006 0.63877343 0.07168498 T T T # 160 O13 0.24545235 0.10583855 0.12303053 T T T # 161 O14 0.42566095 0.63919578 0.28888472 T T T # 162 O15 0.41207590 0.10579016 0.90670848 T T T # 163 O16 0.26666520 0.63968462 0.41009297 T T T # 164 O17 0.24542197 0.10584698 0.45642672 T T T # 165 O18 0.44117777 0.65169295 0.59608177 T T T # 166 O19 0.41215485 0.10584387 0.23998764 T T T # 167 O20 0.26903325 0.64092443 0.75048180 T T T # 168 O21 0.24539430 0.10577638 0.78953221 T T T # 169 O22 0.43297100 0.63841705 0.95814081 T T T # 170 O23 0.41204726 0.10596929 0.57325016 T T T # 171 O24 0.59856192 0.63916959 0.07366368 T T T # 172 O25 0.57882351 0.10586778 0.12304770 T T T # 173 O26 0.77079728 0.63895686 0.28771355 T T T # 174 O27 0.74536364 0.10581759 0.90670299 T T T # 175 O28 0.60139501 0.63779898 0.40283569 T T T # 176 O29 0.57876814 0.10584507 0.45643694 T T T # 177 O30 0.76326707 0.63631473 0.62439911 T T T # 178 O31 0.74550779 0.10585426 0.23997645 T T T # 179 O32 0.59417485 0.63815294 0.74221728 T T T # 180 O33 0.57869385 0.10576748 0.78951241 T T T # 181 O34 0.76381325 0.63921635 0.95529536 T T T # 182 O35 0.74536691 0.10592060 0.57326665 T T T # 183 O36 0.58920296 0.82381743 0.38715746 T T T # 184 O37 0.40124743 0.76175277 0.62091796 T T T # 185 O38 0.70285411 0.82027511 0.60365305 T T T # 186 O39 0.23720277 0.70542588 0.50878929 T T T # 187 O40 0.64431875 0.74487680 0.31765693 T T T # 188 O41 0.84881163 0.75745172 0.62003944 T T T # 189 O42 0.86460408 0.64086157 0.03143233 T T T # 190 H1 0.97745649 0.10359484 0.16282691 T T T # 191 H2 0.04615345 0.64275881 0.32625997 T T T # 192 H3 0.14401126 0.10351135 0.86689365 T T T # 193 H4 0.87381628 0.64007095 0.36512568 T T T # 194 H5 0.97740951 0.10361366 0.49627343 T T T # 195 H6 0.03975048 0.64076855 0.66382937 T T T # 196 H7 0.14411045 0.10361717 0.20013710 T T T # 197 H8 0.86856445 0.64052652 0.69979150 T T T # 198 H9 0.97731305 0.10353279 0.82938416 T T T # 199 H10 0.03153595 0.64094615 0.99703987 T T T # 200 H11 0.14405303 0.10367101 0.53349404 T T T # 201 H12 0.19946640 0.64129195 0.03219182 T T T # 202 H13 0.31078314 0.10358754 0.16284299 T T T # 203 H14 0.35675247 0.64191573 0.32574005 T T T # 204 H15 0.47736699 0.10351359 0.86688671 T T T # 205 H16 0.24755476 0.66755183 0.43715482 T T T # 206 H17 0.31074526 0.10367553 0.49629236 T T T # 207 H18 0.24023752 0.68239470 0.55562313 T T T # 208 H19 0.47745836 0.10365531 0.20012078 T T T # 209 H20 0.21771437 0.64215405 0.70245640 T T T # 210 H21 0.31067970 0.10353505 0.82937472 T T T # 211 H22 0.36698512 0.64092345 0.99768006 T T T # 212 H23 0.47742137 0.10375257 0.53343910 T T T # 213 H24 0.53328337 0.64097619 0.03343783 T T T # 214 H25 0.64415486 0.10363994 0.16287121 T T T # 215 H26 0.70498269 0.64252794 0.32673729 T T T # 216 H27 0.81066311 0.10353215 0.86688637 T T T # 217 H28 0.53395812 0.64002083 0.36487360 T T T # 218 H29 0.64408689 0.10368960 0.49631603 T T T # 219 H30 0.69656219 0.63699153 0.66328985 T T T # 220 H31 0.81081393 0.10368311 0.20010407 T T T # 221 H32 0.52299196 0.64524594 0.71145074 T T T # 222 H33 0.64397872 0.10352428 0.82935530 T T T # 223 H34 0.69893113 0.64124478 0.99551560 T T T # 224 H35 0.81074311 0.10369173 0.53346991 T T T # 225 H36 0.79307149 0.76173619 0.74195018 T T T # 226 H37 0.92830209 0.73617174 0.72344463 T T T # 227 H38 0.95712218 0.80965429 0.78528479 T T T # 228 H39 0.87571230 0.83483485 0.70498667 T T T # 229 H40 0.01101038 0.80971832 0.68304712 T T T # 230 H41 0.27800603 0.80476085 0.57621891 T T T # 231 H42 0.22546726 0.75699268 0.62991368 T T T # 232 H43 0.20330789 0.82365112 0.71711032 T T T # 233 H44 0.35557574 0.83378865 0.70881659 T T T # 234 H45 0.30248251 0.78570628 0.76138473 T T T # 235 H46 0.29250125 0.77382056 0.46274495 T T T # 236 H47 0.39479116 0.81649961 0.45786665 T T T # 237 H48 0.26819024 0.81504502 0.33573638 T T T # 238 H49 0.31291769 0.76054329 0.31248337 T T T # 239 H50 0.41287988 0.80509384 0.30733403 T T T # 240 H51 0.53045840 0.72511479 0.22798430 T T T # 241 H52 0.54798724 0.78312095 0.23667017 T T T # 242 H53 0.65043431 0.75319713 0.11366451 T T T # 243 H54 0.73657817 0.71904289 0.17774757 T T T # 244 H55 0.74994356 0.77732328 0.18398138 T T T # 245 H56 0.05991728 0.70165787 0.53265863 T T T # 246 H57 0.12618748 0.75362066 0.55627445 T T T # 247 H58 0.00155173 0.75675006 0.43760000 T T T # 248 H59 0.08812911 0.71689637 0.38501947 T T T # 249 H60 0.14686582 0.77047397 0.41132517 T T T # 250 H61 0.75589072 0.84871729 0.39842241 T T T # 251 H62 0.70908247 0.83909530 0.29514774 T T T # 252 H63 0.71179116 0.91910060 0.32530022 T T T # 253 H64 0.61625016 0.91037267 0.41009115 T T T # 254 H65 0.56790639 0.90079073 0.30712655 T T T # 255 H66 0.57187318 0.84936615 0.53414534 T T T # 256 H67 0.53630642 0.83793746 0.63854578 T T T # 257 H68 0.68373381 0.89298441 0.68509085 T T T # 258 H69 0.57667709 0.91715843 0.61898796 T T T # 259 H70 0.71886968 0.90423383 0.58087098 T T T # 260 H71 0.77196016 0.72788157 0.45739510 T T T # 261 H72 0.81112824 0.78349445 0.44265741 T T T # 262 H73 0.44960133 0.72061689 0.41021321 T T T # 263 H74 0.65159230 0.69871900 0.59800919 T T T # 264 H75 0.58919905 0.73277845 0.67514427 T T T # 265 H76 0.74299419 0.76188366 0.46616239 T T T # 266 C1 0.46733128 0.75022934 0.44673057 T T T # 267 C2 0.61046919 0.73025356 0.61005732 T T T # 268 C3 0.87279148 0.76374136 0.70518368 T T T # 269 C4 0.93261729 0.80725998 0.72053393 T T T # 270 C5 0.29174194 0.78295167 0.62969535 T T T # 271 C6 0.28831357 0.80804921 0.70908852 T T T # 272 C7 0.37039452 0.78466469 0.43128806 T T T # 273 C8 0.33986369 0.79147881 0.34142882 T T T # 274 C9 0.59419948 0.75139209 0.23867831 T T T # 275 C10 0.68870172 0.75015872 0.17471014 T T T # 276 C11 0.12419259 0.72618600 0.51310232 T T T # 277 C12 0.08954393 0.74331015 0.43015472 T T T # 278 C13 0.68158444 0.85103086 0.35603976 T T T # 279 C14 0.64179674 0.89825204 0.34931738 T T T # 280 C15 0.60617750 0.84898794 0.59724303 T T T # 281 C16 0.64884999 0.89393421 0.62244420 T T T # 282 C17