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 0.92469468 0.34201895 0.13728007 F F F # 1 Si1 0.92469468 0.40547841 0.05394674 F F F # 2 Si2 0.09136135 0.34201895 0.22061340 F F F # 3 Si3 0.09136135 0.40547841 0.97061340 F F F # 4 Si4 0.92675799 0.59639520 0.13368139 T T T # 5 Si5 0.92158715 0.14988644 0.05468540 T T T # 6 Si6 0.09248059 0.59808406 0.21781076 T T T # 7 Si7 0.08828154 0.14986424 0.96996898 T T T # 8 Si8 0.92397992 0.21486325 0.13648795 T T T # 9 Si9 0.92428203 0.53175438 0.05350984 T T T # 10 Si10 0.09064550 0.21482017 0.22156891 T T T # 11 Si11 0.09143442 0.53220321 0.96992874 T T T # 12 Si12 0.92469468 0.46893787 0.13728007 F F F # 13 Si13 0.92469468 0.27855949 0.05394674 F F F # 14 Si14 0.09136135 0.46893787 0.22061340 F F F # 15 Si15 0.09136135 0.27855949 0.97061340 F F F # 16 Si16 0.92469468 0.34201895 0.47061340 F F F # 17 Si17 0.92469468 0.40547841 0.38728007 F F F # 18 Si18 0.09136135 0.34201895 0.55394674 F F F # 19 Si19 0.09136135 0.40547841 0.30394674 F F F # 20 Si20 0.93091389 0.59640714 0.46981413 T T T # 21 Si21 0.92143034 0.14983057 0.38801704 T T T # 22 Si22 0.09737673 0.59615962 0.55474206 T T T # 23 Si23 0.08808520 0.14982569 0.30334583 T T T # 24 Si24 0.92408422 0.21483150 0.46977620 T T T # 25 Si25 0.92685333 0.53208690 0.38723955 T T T # 26 Si26 0.09072186 0.21485711 0.55484646 T T T # 27 Si27 0.09323942 0.53349353 0.30214421 T T T # 28 Si28 0.92469468 0.46893787 0.47061340 F F F # 29 Si29 0.92469468 0.27855949 0.38728007 F F F # 30 Si30 0.09136135 0.46893787 0.55394674 F F F # 31 Si31 0.09136135 0.27855949 0.30394674 F F F # 32 Si32 0.92469468 0.34201895 0.80394674 F F F # 33 Si33 0.92469468 0.40547841 0.72061340 F F F # 34 Si34 0.09136135 0.34201895 0.88728007 F F F # 35 Si35 0.09136135 0.40547841 0.63728007 F F F # 36 Si36 0.92874427 0.59726372 0.80354145 T T T # 37 Si37 0.92141447 0.14985780 0.72131097 T T T # 38 Si38 0.09436434 0.59715535 0.88904271 T T T # 39 Si39 0.08805098 0.14990110 0.63667606 T T T # 40 Si40 0.92437049 0.21483518 0.80311254 T T T # 41 Si41 0.92573211 0.53243353 0.72161981 T T T # 42 Si42 0.09105513 0.21485160 0.88819358 T T T # 43 Si43 0.09351977 0.53221773 0.63790647 T T T # 44 Si44 0.92469468 0.46893787 0.80394674 F F F # 45 Si45 0.92469468 0.27855949 0.72061340 F F F # 46 Si46 0.09136135 0.46893787 0.88728007 F F F # 47 Si47 0.09136135 0.27855949 0.63728007 F F F # 48 Si48 0.25802801 0.34201895 0.13728007 F F F # 49 Si49 0.25802801 0.40547841 0.05394674 F F F # 50 Si50 0.42469468 0.34201895 0.22061340 F F F # 51 Si51 0.42469468 0.40547841 0.97061340 F F F # 52 Si52 0.26007699 0.59721656 0.13505988 T T T # 53 Si53 0.25491683 0.14986581 0.05468377 T T T # 54 Si54 0.42531684 0.59771273 0.22079603 T T T # 55 Si55 0.42161049 0.14985212 0.96997460 T T T # 56 Si56 0.25729967 0.21485007 0.13646169 T T T # 57 Si57 0.25810705 0.53218307 0.05463492 T T T # 58 Si58 0.42394249 0.21483087 0.22155822 T T T # 59 Si59 0.42552269 0.53173063 0.97144858 T T T # 60 Si60 0.25802801 0.46893787 0.13728007 F F F # 61 Si61 0.25802801 0.27855949 0.05394674 F F F # 62 Si62 0.42469468 0.46893787 0.22061340 F F F # 63 Si63 0.42469468 0.27855949 0.97061340 F F F # 64 Si64 0.25802801 0.34201895 0.47061340 F F F # 65 Si65 0.25802801 0.40547841 0.38728007 F F F # 66 Si66 0.42469468 0.34201895 0.55394674 F F F # 67 Si67 0.42469468 0.40547841 0.30394674 F F F # 68 Si68 0.26552298 0.59751108 0.47109953 T T T # 69 Si69 0.25475438 0.14984475 0.38799098 T T T # 70 Si70 0.43479079 0.60568082 0.55113855 T T T # 71 Si71 0.42142963 0.14984464 0.30334184 T T T # 72 Si72 0.25737780 0.21484115 0.46977895 T T T # 73 Si73 0.25962454 0.53312448 0.38792686 T T T # 74 Si74 0.42410540 0.21489492 0.55474390 T T T # 75 Si75 0.42551731 0.53261962 0.30238526 T T T # 76 Si76 0.25802801 0.46893787 0.47061340 F F F # 77 Si77 0.25802801 0.27855949 0.38728007 F F F # 78 Si78 0.42469468 0.46893787 0.55394674 F F F # 79 Si79 0.42469468 0.27855949 0.30394674 F F F # 80 Si80 0.25802801 0.34201895 0.80394674 F F F # 81 Si81 0.25802801 0.40547841 0.72061340 F F F # 82 Si82 0.42469468 0.34201895 0.88728007 F F F # 83 Si83 0.42469468 0.40547841 0.63728007 F F F # 84 Si84 0.26190800 0.59738208 0.80611526 T T T # 85 Si85 0.25474596 0.14986279 0.72131031 T T T # 86 Si86 0.42725366 0.59634352 0.89098099 T T T # 87 Si87 0.42140209 0.14996159 0.63669159 T T T # 88 Si88 0.25770588 0.21483190 0.80312627 T T T # 89 Si89 0.26116620 0.53319573 0.72192424 T T T # 90 Si90 0.42438685 0.21484088 0.88821315 T T T # 91 Si91 0.42696842 0.53660912 0.63509918 T T T # 92 Si92 0.25802801 0.46893787 0.80394674 F F F # 93 Si93 0.25802801 0.27855949 0.72061340 F F F # 94 Si94 0.42469468 0.46893787 0.88728007 F F F # 95 Si95 0.42469468 0.27855949 0.63728007 F F F # 96 Si96 0.59136135 0.34201895 0.13728007 F F F # 97 Si97 0.59136135 0.40547841 0.05394674 F F F # 98 Si98 0.75802801 0.34201895 0.22061340 F F F # 99 Si99 0.75802801 0.40547841 0.97061340 F F F # 100 Si100 0.59382878 0.59789664 0.13754256 T T T # 101 Si101 0.58825262 0.14988834 0.05468505 T T T # 102 Si102 0.76250537 0.59719338 0.22004448 T T T # 103 Si103 0.75494171 0.14987805 0.96996705 T T T # 104 Si104 0.59064464 0.21486649 0.13649539 T T T # 105 Si105 0.59206070 0.53271286 0.05582190 T T T # 106 Si106 0.75730323 0.21482799 0.22158095 T T T # 107 Si107 0.75785408 0.53236320 0.96963588 T T T # 108 Si108 0.59136135 0.46893787 0.13728007 F F F # 109 Si109 0.59136135 0.27855949 0.05394674 F F F # 110 Si110 0.75802801 0.46893787 0.22061340 F F F # 111 Si111 0.75802801 0.27855949 0.97061340 F F F # 112 Si112 0.59136135 0.34201895 0.47061340 F F F # 113 Si113 0.59136135 0.40547841 0.38728007 F F F # 114 Si114 0.75802801 0.34201895 0.55394674 F F F # 115 Si115 0.75802801 0.40547841 0.30394674 F F F # 116 Si116 0.59782865 0.59599992 0.46613354 T T T # 117 Si117 0.58808470 0.14985733 0.38800438 T T T # 118 Si118 0.76292492 0.59525114 0.55293673 T T T # 119 Si119 0.75476736 0.14984630 0.30336015 T T T # 120 Si120 0.59081830 0.21484566 0.46975351 T T T # 121 Si121 0.59325994 0.53146286 0.38587318 T T T # 122 Si122 0.75743278 0.21486174 0.55485298 T T T # 123 Si123 0.76011574 0.53240817 0.30226136 T T T # 124 Si124 0.59136135 0.46893787 0.47061340 F F F # 125 Si125 0.59136135 0.27855949 0.38728007 F F F # 126 Si126 0.75802801 0.46893787 0.55394674 F F F # 127 Si127 0.75802801 0.27855949 0.30394674 F F F # 128 Si128 0.59136135 0.34201895 0.80394674 F F F # 129 Si129 0.59136135 0.40547841 0.72061340 F F F # 130 Si130 0.75802801 0.34201895 0.88728007 F F F # 131 Si131 0.75802801 0.40547841 0.63728007 F F F # 132 Si132 0.59263071 0.59568735 0.80599614 T T T # 133 Si133 0.58811378 0.14985964 0.72130630 T T T # 134 Si134 0.76117406 0.59724074 0.88781030 T T T # 135 Si135 0.75473564 0.14991561 0.63665720 T T T # 136 Si136 0.59099949 0.21482882 0.80310820 T T T # 137 Si137 0.59138908 0.53219817 0.72133499 T T T # 138 Si138 0.75770808 0.21486042 0.88816736 T T T # 139 Si139 0.75889717 0.53172374 0.63700010 T T T # 140 Si140 0.59136135 0.46893787 0.80394674 F F F # 141 Si141 0.59136135 0.27855949 0.72061340 F F F # 142 Si142 0.75802801 0.46893787 0.88728007 F F F # 143 Si143 0.75802801 0.27855949 0.63728007 F F F # 144 Si144 0.72328336 0.76714058 0.58797319 T T T # 145 Si145 0.61244949 0.76510560 0.41497515 T T T # 146 Si146 0.47358682 0.71937703 0.56865457 T T T # 147 Si147 0.93274702 0.63956460 0.06862884 T T T # 148 O1 0.91485794 0.10712967 0.12050281 T T T # 149 O2 0.09450568 0.64370804 0.27305049 T T T # 150 O3 0.08145476 0.10708472 0.90420942 T T T # 151 O4 0.93820375 0.63915587 0.40456004 T T T # 152 O5 0.91482175 0.10709109 0.45390632 T T T # 153 O6 0.10553688 0.64037855 0.61851292 T T T # 154 O7 0.08152705 0.10710748 0.23745374 T T T # 155 O8 0.93762684 0.63982055 0.73698821 T T T # 156 O9 0.91475265 0.10707353 0.78705382 T T T # 157 O10 0.09993403 0.64010198 0.95441573 T T T # 158 O11 0.08144875 0.10717491 0.57077019 T T T # 159 O12 0.26815282 0.64001784 0.06921577 T T T # 160 O13 0.24819689 0.10711607 0.12051196 T T T # 161 O14 0.42799055 0.64029651 0.28698574 T T T # 162 O15 0.41482012 0.10706992 0.90421770 T T T # 163 O16 0.26717079 0.64083666 0.40696236 T T T # 164 O17 0.24814236 0.10713331 0.45392984 T T T # 165 O18 0.44622429 0.65823974 0.58745030 T T T # 166 O19 0.41488349 0.10712476 0.23745483 T T T # 167 O20 0.27409502 0.64174359 0.74700309 T T T # 168 O21 0.24813880 0.10705899 0.78701614 T T T # 169 O22 0.43566614 0.63958336 0.95563348 T T T # 170 O23 0.41479520 0.10726909 0.57070515 T T T # 171 O24 0.60135481 0.64043619 0.07122123 T T T # 172 O25 0.58156605 0.10714641 0.12053038 T T T # 173 O26 0.77424433 0.64017224 0.28466560 T T T # 174 O27 0.74810720 0.10710055 0.90420818 T T T # 175 O28 0.60545832 0.63868961 0.39952807 T T T # 176 O29 0.58148680 0.10714792 0.45395573 T T T # 177 O30 0.76648881 0.63662763 0.62252307 T T T # 178 O31 0.74822666 0.10713506 0.23744530 T T T # 179 O32 0.59779602 0.63888926 0.74043570 T T T # 180 O33 0.58142946 0.10705226 0.78700541 T T T # 181 O34 0.76652679 0.64040331 0.95280672 T T T # 182 O35 0.74812080 0.10719516 0.57073533 T T T # 183 O36 0.58819516 0.81885494 0.40382976 T T T # 184 O37 0.39263994 0.75014660 0.62818058 T T T # 185 O38 0.69685953 0.81888035 0.60889017 T T T # 186 O39 0.18838907 0.70349994 0.49632723 T T T # 187 O40 0.64747849 0.74274337 0.32637211 T T T # 188 O41 0.84846508 0.75720464 0.63229259 T T T # 189 O42 0.86749079 0.64210245 0.02878495 T T T # 190 H1 0.98018299 0.10482413 0.16030121 T T T # 191 H2 0.04745627 0.64377454 0.32341212 T T T # 192 H3 0.14672800 0.10474630 0.86439714 T T T # 193 H4 0.87591616 0.64086652 0.36220879 T T T # 194 H5 0.98014547 0.10482983 0.49373484 T T T # 195 H6 0.04302127 0.64230437 0.66084297 T T T # 196 H7 0.14684316 0.10485100 0.19762474 T T T # 197 H8 0.87214058 0.64172758 0.69730590 T T T # 198 H9 0.98004683 0.10476557 0.82686041 T T T # 199 H10 0.03449571 0.64219755 0.99441570 T T T # 200 H11 0.14680249 0.10489141 0.53098136 T T T # 201 H12 0.20234489 0.64261650 0.02975450 T T T # 202 H13 0.31351478 0.10481750 0.16031744 T T T # 203 H14 0.35885150 0.64343720 0.32344480 T T T # 204 H15 0.48008201 0.10474880 0.86438738 T T T # 205 H16 0.23034305 0.66796817 0.43030161 T T T # 206 H17 0.31347816 0.10488885 0.49375505 T T T # 207 H18 0.18222223 0.68560470 0.54549716 T T T # 208 H19 0.48019476 0.10488351 0.19761801 T T T # 209 H20 0.22216033 0.64332545 0.69943258 T T T # 210 H21 0.31341035 0.10476021 0.82684350 T T T # 211 H22 0.36978517 0.64217339 0.99524759 T T T # 212 H23 0.48017717 0.10497914 0.53092696 T T T # 213 H24 0.53607668 0.64234393 0.03107558 T T T # 214 H25 0.64688610 0.10486195 0.16034208 T T T # 215 H26 0.70848571 0.64407530 0.32361258 T T T # 216 H27 0.81337883 0.10476776 0.86438523 T T T # 217 H28 0.53764331 0.64139578 0.36200270 T T T # 218 H29 0.64682728 0.10490350 0.49378391 T T T # 219 H30 0.70001180 0.63706278 0.66153551 T T T # 220 H31 0.81354193 0.10490627 0.19760636 T T T # 221 H32 0.52576365 0.64751952 0.71306345 T T T # 222 H33 0.64670440 0.10475512 0.82683147 T T T # 223 H34 0.70169989 0.64248458 0.99306114 T T T # 224 H35 0.81349846 0.10489988 0.53096760 T T T # 225 H36 0.79117027 0.75963018 0.75379440 T T T # 226 H37 0.93068577 0.73763990 0.73595236 T T T # 227 H38 0.94669587 0.81152811 0.79847955 T T T # 228 H39 0.86143587 0.83490202 0.71838763 T T T # 229 H40 0.00066167 0.81339785 0.69642650 T T T # 230 H41 0.25090011 0.78453607 0.58517200 T T T # 231 H42 0.22020407 0.73675774 0.64602555 T T T # 232 H43 0.18265987 0.80496514 0.72637345 T T T # 233 H44 0.32761007 0.82284126 0.70911543 T T T # 234 H45 0.29923707 0.77491969 0.76986723 T T T # 235 H46 0.29194159 0.76258977 0.47015758 T T T # 236 H47 0.39020228 0.80689062 0.47237342 T T T # 237 H48 0.27240616 0.80756292 0.34613800 T T T # 238 H49 0.32120482 0.75404538 0.31970938 T T T # 239 H50 0.41876889 0.79938863 0.32113624 T T T # 240 H51 0.53688935 0.72805034 0.23128099 T T T # 241 H52 0.56125977 0.78519008 0.24702359 T T T # 242 H53 0.66723453 0.75747933 0.12388970 T T T # 243 H54 0.74478370 0.71958777 0.18625341 T T T # 244 H55 0.76533127 0.77715477 0.19958210 T T T # 245 H56 0.00853992 0.70688115 0.50506165 T T T # 246 H57 0.08438767 0.75605750 0.53435023 T T T # 247 H58 0.98372671 0.76297943 0.40214603 T T T # 248 H59 0.06696879 0.71907783 0.36016692 T T T # 249 H60 0.13562994 0.76971635 0.39039627 T T T # 250 H61 0.74572309 0.84872802 0.42869069 T T T # 251 H62 0.72066527 0.83648824 0.32299163 T T T # 252 H63 0.70163954 0.91668363 0.34881265 T T T # 253 H64 0.59245764 0.90614826 0.42363505 T T T # 254 H65 0.56661979 0.89400335 0.31810187 T T T # 255 H66 0.55234098 0.84465347 0.55046336 T T T # 256 H67 0.52972085 0.82731980 0.65350525 T T T # 257 H68 0.66131972 0.88727722 0.70320802 T T T # 258 H69 0.54332474 0.90879584 0.64442818 T T T # 259 H70 0.68462680 0.90413441 0.60015748 T T T # 260 H71 0.77068235 0.72204428 0.47200884 T T T # 261 H72 0.81294110 0.77699293 0.45301281 T T T # 262 H73 0.45517841 0.71285276 0.41914554 T T T # 263 H74 0.65895353 0.69684625 0.61677447 T T T # 264 H75 0.58784905 0.73171885 0.68784440 T T T # 265 H76 0.74356773 0.75648644 0.47815403 T T T # 266 C1 0.47041984 0.74188021 0.45782950 T T T # 267 C2 0.61147908 0.72763002 0.62335558 T T T # 268 C3 0.87072438 0.76384137 0.71742183 T T T # 269 C4 0.92279907 0.80872095 0.73369082 T T T # 270 C5 0.27748432 0.76549107 0.63943025 T T T # 271 C6 0.27170484 0.79377153 0.71589007 T T T # 272 C7 0.37055429 0.77547242 0.44229093 T T T # 273 C8 0.34490568 0.78437424 0.35215377 T T T # 274 C9 0.60326256 0.75261884 0.24698001 T T T # 275 C10 0.70117236 0.75163080 0.18553396 T T T # 276 C11 0.08173576 0.72862944 0.49032197 T T T # 277 C12 0.06721468 0.74595794 0.40491764 T T T # 278 C13 0.67969379 0.84822952 0.37998592 T T T # 279 C14 0.63195283 0.89406645 0.36686352 T T T # 280 C15 0.59203635 0.84321529 0.61179647 T T T # 281 C16 0.62204417 0.88880951 0.64201009 T T T # 282 C17