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 0.99486883 0.36819530 0.26995792 F F F # 1 Si1 0.99486883 0.43611311 0.18662458 F F F # 2 Si2 0.11986883 0.36819530 0.35329125 F F F # 3 Si3 0.11986883 0.43611311 0.10329125 F F F # 4 Si4 0.99615047 0.64075201 0.26714506 T T T # 5 Si5 0.99668308 0.16254448 0.18716082 T T T # 6 Si6 0.12111366 0.64224274 0.35021125 T T T # 7 Si7 0.12168133 0.16255048 0.10261007 T T T # 8 Si8 0.99494574 0.23208592 0.26900097 F F F # 9 Si9 0.99436691 0.57156307 0.18630930 T T T # 10 Si10 0.11996861 0.23216303 0.35393090 F F F # 11 Si11 0.11956607 0.57190024 0.10196088 T T T # 12 Si12 0.99486883 0.50403091 0.26995792 F F F # 13 Si13 0.99486883 0.30027750 0.18662458 F F F # 14 Si14 0.11986883 0.50403091 0.35329125 F F F # 15 Si15 0.11986883 0.30027750 0.10329125 F F F # 16 Si16 0.99486883 0.36819530 0.60329125 F F F # 17 Si17 0.99486883 0.43611311 0.51995792 F F F # 18 Si18 0.11986883 0.36819530 0.68662458 F F F # 19 Si19 0.11986883 0.43611311 0.43662458 F F F # 20 Si20 0.99877298 0.64161787 0.60264079 T T T # 21 Si21 0.99695412 0.16262341 0.52039369 T T T # 22 Si22 0.12265501 0.64105397 0.68830494 T T T # 23 Si23 0.12193505 0.16266358 0.43584804 T T T # 24 Si24 0.99490551 0.23208076 0.60238646 F F F # 25 Si25 0.49478783 0.57335829 0.52124852 T T T # 26 Si26 0.11988963 0.23210608 0.68737725 F F F # 27 Si27 0.12041399 0.57323812 0.43503836 T T T # 28 Si28 0.99486883 0.50403091 0.60329125 F F F # 29 Si29 0.99486883 0.30027750 0.51995792 F F F # 30 Si30 0.11986883 0.50403091 0.68662458 F F F # 31 Si31 0.11986883 0.30027750 0.43662458 F F F # 32 Si32 0.99486883 0.36819530 0.93662458 F F F # 33 Si33 0.99486883 0.43611311 0.85329125 F F F # 34 Si34 0.11986883 0.36819530 0.01995792 F F F # 35 Si35 0.11986883 0.43611311 0.76995792 F F F # 36 Si36 0.99673615 0.64138011 0.93586950 T T T # 37 Si37 0.99690071 0.16264131 0.85378403 T T T # 38 Si38 0.12149222 0.64147979 0.02051998 T T T # 39 Si39 0.12193016 0.16261581 0.76925124 T T T # 40 Si40 0.99493278 0.23209073 0.93582660 F F F # 41 Si41 0.49605359 0.57186588 0.85506447 T T T # 42 Si42 0.11991138 0.23210232 0.02078975 F F F # 43 Si43 0.12027044 0.57179091 0.76978552 T T T # 44 Si44 0.99486883 0.50403091 0.93662458 F F F # 45 Si45 0.99486883 0.30027750 0.85329125 F F F # 46 Si46 0.11986883 0.50403091 0.01995792 F F F # 47 Si47 0.11986883 0.30027750 0.76995792 F F F # 48 Si48 0.24486883 0.36819530 0.26995792 F F F # 49 Si49 0.24486883 0.43611311 0.18662458 F F F # 50 Si50 0.36986883 0.36819530 0.35329125 F F F # 51 Si51 0.36986883 0.43611311 0.10329125 F F F # 52 Si52 0.24612409 0.64062756 0.26638721 T T T # 53 Si53 0.24668057 0.16254905 0.18715587 T T T # 54 Si54 0.36962478 0.64159676 0.35210639 T T T # 55 Si55 0.37167935 0.16255358 0.10260731 T T T # 56 Si56 0.24495925 0.23208544 0.26900619 F F F # 57 Si57 0.24478954 0.57144604 0.18588078 T T T # 58 Si58 0.36997100 0.23216233 0.35393432 F F F # 59 Si59 0.37020406 0.57193902 0.10220792 T T T # 60 Si60 0.24486883 0.50403091 0.26995792 F F F # 61 Si61 0.24486883 0.30027750 0.18662458 F F F # 62 Si62 0.36986883 0.50403091 0.35329125 F F F # 63 Si63 0.36986883 0.30027750 0.10329125 F F F # 64 Si64 0.24486883 0.36819530 0.60329125 F F F # 65 Si65 0.24486883 0.43611311 0.51995792 F F F # 66 Si66 0.36986883 0.36819530 0.68662458 F F F # 67 Si67 0.36986883 0.43611311 0.43662458 F F F # 68 Si68 0.24921256 0.64161372 0.60632126 T T T # 69 Si69 0.24696158 0.16265653 0.52040731 T T T # 70 Si70 0.37270220 0.63972626 0.69169821 T T T # 71 Si71 0.37192762 0.16267081 0.43584003 T T T # 72 Si72 0.24491355 0.23209793 0.60244264 F F F # 73 Si73 0.24517025 0.57307408 0.52090555 T T T # 74 Si74 0.36993509 0.23209617 0.68738399 F F F # 75 Si75 0.37006220 0.57257342 0.43556888 T T T # 76 Si76 0.24486883 0.50403091 0.60329125 F F F # 77 Si77 0.24486883 0.30027750 0.51995792 F F F # 78 Si78 0.36986883 0.50403091 0.68662458 F F F # 79 Si79 0.36986883 0.30027750 0.43662458 F F F # 80 Si80 0.24486883 0.36819530 0.93662458 F F F # 81 Si81 0.24486883 0.43611311 0.85329125 F F F # 82 Si82 0.36986883 0.36819530 0.01995792 F F F # 83 Si83 0.36986883 0.43611311 0.76995792 F F F # 84 Si84 0.24677476 0.64137839 0.93672244 T T T # 85 Si85 0.24690758 0.16265977 0.85379689 T T T # 86 Si86 0.37218059 0.64150087 0.02067772 T T T # 87 Si87 0.37192927 0.16259786 0.76923806 T T T # 88 Si88 0.24493203 0.23209829 0.93587564 F F F # 89 Si89 0.24501322 0.57193923 0.85478699 T T T # 90 Si90 0.36993419 0.23210418 0.02078903 F F F # 91 Si91 0.37089020 0.57082089 0.77172465 T T T # 92 Si92 0.24486883 0.50403091 0.93662458 F F F # 93 Si93 0.24486883 0.30027750 0.85329125 F F F # 94 Si94 0.36986883 0.50403091 0.01995792 F F F # 95 Si95 0.36986883 0.30027750 0.76995792 F F F # 96 Si96 0.49486883 0.36819530 0.26995792 F F F # 97 Si98 0.49486883 0.43611311 0.18662458 F F F # 98 Si99 0.61986883 0.36819530 0.35329125 F F F # 99 Si100 0.61986883 0.43611311 0.10329125 F F F # 100 Si101 0.49601181 0.64177512 0.26933203 T T T # 101 Si102 0.49668423 0.16255563 0.18713650 T T T # 102 Si103 0.62214275 0.64110528 0.35220740 T T T # 103 Si104 0.62168789 0.16255200 0.10260377 T T T # 104 Si105 0.49494574 0.23208592 0.26900097 F F F # 105 Si106 0.49492498 0.57217162 0.18753113 T T T # 106 Si107 0.61996861 0.23216303 0.35393090 F F F # 107 Si108 0.61994088 0.57199218 0.10261532 T T T # 108 Si109 0.49486883 0.50403091 0.26995792 F F F # 109 Si110 0.49486883 0.30027750 0.18662458 F F F # 110 Si111 0.61986883 0.50403091 0.35329125 F F F # 111 Si112 0.61986883 0.30027750 0.10329125 F F F # 112 Si113 0.49486883 0.36819530 0.60329125 F F F # 113 Si114 0.49486883 0.43611311 0.51995792 F F F # 114 Si115 0.61986883 0.36819530 0.68662458 F F F # 115 Si116 0.61986883 0.43611311 0.43662458 F F F # 116 Si117 0.49620022 0.64253832 0.60610152 T T T # 117 Si118 0.49696130 0.16264019 0.52037639 T T T # 118 Si119 0.62286993 0.64122427 0.68807855 T T T # 119 Si120 0.62195161 0.16268088 0.43585496 T T T # 120 Si121 0.49490551 0.23208076 0.60238646 F F F # 121 Si122 0.99564105 0.57223207 0.52047164 T T T # 122 Si123 0.61988963 0.23210608 0.68737725 F F F # 123 Si124 0.61968506 0.57235574 0.43600496 T T T # 124 Si125 0.49486883 0.50403091 0.60329125 F F F # 125 Si126 0.49486883 0.30027750 0.51995792 F F F # 126 Si127 0.61986883 0.50403091 0.68662458 F F F # 127 Si128 0.61986883 0.30027750 0.43662458 F F F # 128 Si129 0.49486883 0.36819530 0.93662458 F F F # 129 Si130 0.49486883 0.43611311 0.85329125 F F F # 130 Si131 0.61986883 0.36819530 0.01995792 F F F # 131 Si132 0.61986883 0.43611311 0.76995792 F F F # 132 Si133 0.49744631 0.64139658 0.93664723 T T T # 133 Si134 0.49689915 0.16264928 0.85377536 T T T # 134 Si135 0.62226885 0.64142147 0.02088330 T T T # 135 Si136 0.62193369 0.16261214 0.76924962 T T T # 136 Si137 0.49493278 0.23209073 0.93582660 F F F # 137 Si138 0.99503734 0.57195480 0.85410249 T T T # 138 Si139 0.61991138 0.23210232 0.02078975 F F F # 139 Si140 0.62046037 0.57179756 0.76953795 T T T # 140 Si141 0.49486883 0.50403091 0.93662458 F F F # 141 Si142 0.49486883 0.30027750 0.85329125 F F F # 142 Si143 0.61986883 0.50403091 0.01995792 F F F # 143 Si144 0.61986883 0.30027750 0.76995792 F F F # 144 Si145 0.74486883 0.36819530 0.26995792 F F F # 145 Si146 0.74486883 0.43611311 0.18662458 F F F # 146 Si147 0.86986883 0.36819530 0.35329125 F F F # 147 Si148 0.86986883 0.43611311 0.10329125 F F F # 148 Si149 0.74727366 0.64091053 0.26844940 T T T # 149 Si150 0.74668734 0.16255266 0.18714433 T T T # 150 Si151 0.87230682 0.64125268 0.35314878 T T T # 151 Si152 0.87169203 0.16255021 0.10260432 T T T # 152 Si153 0.74495925 0.23208544 0.26900619 F F F # 153 Si154 0.74531876 0.57172887 0.18668434 T T T # 154 Si155 0.86997100 0.23216233 0.35393432 F F F # 155 Si156 0.86985291 0.57185422 0.10178414 T T T # 156 Si157 0.74486883 0.50403091 0.26995792 F F F # 157 Si158 0.74486883 0.30027750 0.18662458 F F F # 158 Si159 0.86986883 0.50403091 0.35329125 F F F # 159 Si160 0.86986883 0.30027750 0.10329125 F F F # 160 Si161 0.74486883 0.36819530 0.60329125 F F F # 161 Si162 0.74486883 0.43611311 0.51995792 F F F # 162 Si163 0.86986883 0.36819530 0.68662458 F F F # 163 Si164 0.86986883 0.43611311 0.43662458 F F F # 164 Si165 0.74760605 0.64124869 0.60305053 T T T # 165 Si166 0.74697031 0.16264461 0.52042514 T T T # 166 Si167 0.87313355 0.64158529 0.68683748 T T T # 167 Si168 0.87192860 0.16265901 0.43584057 T T T # 168 Si169 0.74491355 0.23209793 0.60244264 F F F # 169 Si170 0.74512592 0.57205522 0.52059909 T T T # 170 Si171 0.86993509 0.23209617 0.68738399 F F F # 171 Si172 0.87026290 0.57211280 0.43585060 T T T # 172 Si173 0.74486883 0.50403091 0.60329125 F F F # 173 Si174 0.74486883 0.30027750 0.51995792 F F F # 174 Si175 0.86986883 0.50403091 0.68662458 F F F # 175 Si176 0.86986883 0.30027750 0.43662458 F F F # 176 Si177 0.74486883 0.36819530 0.93662458 F F F # 177 Si178 0.74486883 0.43611311 0.85329125 F F F # 178 Si179 0.86986883 0.36819530 0.01995792 F F F # 179 Si180 0.86986883 0.43611311 0.76995792 F F F # 180 Si181 0.74703133 0.64138077 0.93592501 T T T # 181 Si182 0.74690571 0.16265768 0.85380361 T T T # 182 Si183 0.87175119 0.64135626 0.02021946 T T T # 183 Si184 0.87192623 0.16259405 0.76924861 T T T # 184 Si185 0.74493203 0.23209829 0.93587564 F F F # 185 Si186 0.74544410 0.57199101 0.85400589 T T T # 186 Si187 0.86993419 0.23210418 0.02078903 F F F # 187 Si188 0.87038611 0.57215735 0.76891071 T T T # 188 Si189 0.74486883 0.50403091 0.93662458 F F F # 189 Si190 0.74486883 0.30027750 0.85329125 F F F # 190 Si191 0.86986883 0.50403091 0.01995792 F F F # 191 Si192 0.86986883 0.30027750 0.76995792 F F F # 192 Si193 0.41953805 0.78484234 0.57035495 T T T # 193 Si194 0.00192339 0.11678053 0.25296167 T T T # 194 O1 0.12691588 0.11679946 0.03677845 T T T # 195 O2 0.00209831 0.11681186 0.58613665 T T T # 196 O3 0.12697540 0.11689839 0.37001944 T T T # 197 O4 0.00197773 0.11683679 0.91953725 T T T # 198 O5 0.12708766 0.11685310 0.70343432 T T T # 199 O6 0.25192666 0.11677756 0.25294525 T T T # 200 O7 0.37690196 0.11679953 0.03677664 T T T # 201 O8 0.25211181 0.11687722 0.58619541 T T T # 202 O9 0.37695874 0.11691263 0.36999574 T T T # 203 O10 0.25196387 0.11684685 0.91954377 T T T # 204 O11 0.37709608 0.11681078 0.70347054 T T T # 205 O12 0.00093485 0.68661646 0.20139811 T T T # 206 O13 0.12473733 0.69117586 0.40508901 T T T # 207 O14 0.00658563 0.68752516 0.53805027 T T T # 208 O15 0.12674696 0.68691712 0.75435964 T T T # 209 O16 0.00166712 0.68725603 0.87022669 T T T # 210 O17 0.12592776 0.68745761 0.08570611 T T T # 211 O18 0.25234994 0.68657616 0.20067608 T T T # 212 O19 0.37011304 0.68802528 0.41480444 T T T # 213 O20 0.25631415 0.68751065 0.54306821 T T T # 214 O21 0.37755752 0.68563453 0.75764973 T T T # 215 O22 0.25129003 0.68731508 0.87105196 T T T # 216 O23 0.37724463 0.68730267 0.08623343 T T T # 217 O24 0.50191930 0.11679660 0.25295947 T T T # 218 O29 0.62689532 0.11679331 0.03678572 T T T # 219 O30 0.50211292 0.11685402 0.58616175 T T T # 220 O31 0.62695644 0.11691940 0.37000765 T T T # 221 O32 0.50195725 0.11685029 0.91954889 T T T # 222 O33 0.62709198 0.11683112 0.70346321 T T T # 223 O34 0.75191070 0.11678600 0.25294838 T T T # 224 O35 0.87691151 0.11680025 0.03677440 T T T # 225 O36 0.75208415 0.11681459 0.58613610 T T T # 226 O37 0.87693503 0.11687612 0.37004150 T T T # 227 O38 0.75195628 0.11684304 0.91954102 T T T # 228 O39 0.87707172 0.11680844 0.70347343 T T T # 229 O40 0.50204112 0.68750317 0.20330759 T T T # 230 O41 0.63259024 0.68685473 0.41671521 T T T # 231 O42 0.49552014 0.69075212 0.54729821 T T T # 232 O43 0.62851577 0.68664788 0.75480823 T T T # 233 O44 0.50289934 0.68715638 0.87091893 T T T # 234 O45 0.62714292 0.68727563 0.08651801 T T T # 235 O46 0.75215900 0.68702111 0.20316916 T T T # 236 O47 0.87876606 0.68691592 0.41907383 T T T # 237 O48 0.75196746 0.68689308 0.53699005 T T T # 238 O49 0.87746598 0.68737266 0.75285291 T T T # 239 O50 0.75263626 0.68721789 0.87039820 T T T # 240 O51 0.87606326 0.68734609 0.08548741 T T T # 241 O52 0.33842844 0.78109316 0.53962194 T T T # 242 O53 0.46271000 0.77551519 0.64592075 T T T # 243 O54 0.48547649 0.80179498 0.49841243 T T T # 244 O55 0.27034547 0.81751541 0.61668298 T T T # 245 O56 0.45295422 0.11428362 0.29276706 T T T # 246 H1 0.07797131 0.11426257 0.99696962 T T T # 247 H2 0.45314620 0.11431901 0.62593434 T T T # 248 H3 0.07797074 0.11436151 0.33026713 T T T # 249 H4 0.45298030 0.11432652 0.95931567 T T T # 250 H5 0.07813690 0.11433469 0.66363353 T T T # 251 H6 0.20296482 0.11424701 0.29274926 T T T # 252 H7 0.32796022 0.11427408 0.99696058 T T T # 253 H8 0.20314622 0.11435419 0.62597484 T T T # 254 H9 0.32795462 0.11437921 0.33023883 T T T # 255 H10 0.20298451 0.11431544 0.95930733 T T T # 256 H11 0.32816027 0.11431019 0.66364967 T T T # 257 H12 0.45313136 0.68997773 0.16339088 T T T # 258 H13 0.09058285 0.69236560 0.45597317 T T T # 259 H14 0.07755878 0.68918541 0.79407104 T T T # 260 H16 0.45376718 0.68900094 0.83080668 T T T # 261 H17 0.07703135 0.68968104 0.12585138 T T T # 262 H18 0.20284332 0.68968699 0.16159236 T T T # 263 H19 0.32359202 0.68887532 0.45691423 T T T # 264 H20 0.32806280 0.68822069 0.79704452 T T T # 265 H22 0.20242851 0.68942153 0.83093762 T T T # 266 H23 0.32808516 0.68948762 0.12624160 T T T # 267 H24 0.16263326 0.81194425 0.68226018 T T T # 268 H35 0.20096964 0.89611319 0.67678476 T T T # 269 H38 0.95295734 0.11424100 0.29275338 T T T # 270 H45 0.57796159 0.11427209 0.99696108 T T T # 271 H46 0.95313928 0.11428707 0.62591481 T T T # 272 H47 0.57796182 0.11441057 0.33023446 T T T # 273 H48 0.95299663 0.11429225 0.95929221 T T T # 274 H49 0.57815245 0.11433981 0.66364712 T T T # 275 H50 0.70295536 0.11427963 0.29276355 T T T # 276 H51 0.82797037 0.11426378 0.99696293 T T T # 277 H52 0.70314488 0.11431523 0.62594527 T T T # 278 H53 0.82795509 0.11436080 0.33025958 T T T # 279 H54 0.70298352 0.11430544 0.95930638 T T T # 280 H55 0.82813400 0.11430015 0.66366243 T T T # 281 H56 0.95182651 0.68936579 0.16179618 T T T # 282 H57 0.58755094 0.70077235 0.44353308 T T T # 283 H58 0.95964365 0.69008986 0.49648713 T T T # 284 H59 0.57930692 0.68910399 0.79436610 T T T # 285 H60 0.95282603 0.68969798 0.83021854 T T T # 286 H61 0.57815181 0.68971336 0.12635496 T T T # 287 H62 0.70306675 0.68954108 0.16349686 T T T # 288 H63 0.83048113 0.68937872 0.45938731 T T T # 289 H64 0.38121622 0.73407684 0.54546918 T T T # 290 H65 0.82852572 0.68962186 0.79271274 T T T # 291 H66 0.70385887 0.68940149 0.83013019 T T T # 292 H67 0.82731849 0.68965404 0.12562796 T T T # 293 H68 0.55181822 0.79652052 0.67841305 T T T # 294 H69 0.49436631 0.82771189 0.65537819 T T T # 295 H70 0.52068746 0.83117960 0.80447995 T T T # 296 H71 0.49602803 0.78790841 0.80412773 T T T # 297 H72 0.44118095 0.81957417 0.78217712 T T T # 298 H73 0.57783439 0.79258322 0.52177728 T T T # 299 H74 0.56218016 0.79170444 0.42691740 T T T # 300 H75 0.62766681 0.84917081 0.42530986 T T T # 301 H76 0.56725079 0.86108975 0.49254210 T T T # 302 H77 0.55070795 0.85983693 0.39807522 T T T # 303 H78 0.25805278 0.79872037 0.73387965 T T T # 304 H80 0.19447122 0.87587358 0.77502230 T T T # 305 H81 0.29481031 0.88251219 0.73049578 T T T # 306 H83 0.34717919 0.80790433 0.42420899 T T T # 307 H84 0.26816168 0.77027402 0.43541201 T T T # 308 H85 0.21462174 0.84483695 0.42128595 T T T # 309 H86 0.27416823 0.86218482 0.50693175 T T T # 310 H87 0.19540566 0.82401794 0.51910538 T T T # 311 H88 0.25299065 0.72092096 0.56317047 T T T # 312 H89 0.70386053 0.68813536 0.49602359 T T T # 313 H79 0.50204958 0.80413483 0.68553693 T T T # 314 C9 0.48895906 0.81106567 0.77422915 T T T # 315 C10 0.55256788 0.80626312 0.47379511 T T T # 316 C11 0.57562352 0.84639365 0.44587070 T T T # 317 C12 0.22815594 0.82257219 0.69074488 T T T # 318 C13 0.22981888 0.87216687 0.71971345 T T T # 319 C14 0.30008334 0.79753174 0.46412640 T T T # 320 C15 0.24294087 0.83427524 0.47938643 T T T # 321 C16