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 0.91652290 0.33824257 0.14485506 F F F # 1 Si1 0.91652290 0.40170203 0.06152173 F F F # 2 Si2 0.08318957 0.33824257 0.22818839 F F F # 3 Si3 0.08318957 0.40170203 0.97818839 F F F # 4 Si4 0.91864744 0.59318719 0.14214605 T T T # 5 Si5 0.91349921 0.14616057 0.06210192 T T T # 6 Si6 0.08524253 0.59452958 0.22580521 T T T # 7 Si7 0.08016300 0.14612878 0.97742613 T T T # 8 Si8 0.91589363 0.21112523 0.14392085 T T T # 9 Si9 0.91547564 0.52836443 0.06155352 T T T # 10 Si10 0.08259231 0.21112016 0.22895834 T T T # 11 Si11 0.08237122 0.52839978 0.97769462 T T T # 12 Si12 0.91652290 0.46516149 0.14485506 F F F # 13 Si13 0.91652290 0.27478311 0.06152173 F F F # 14 Si14 0.08318957 0.46516149 0.22818839 F F F # 15 Si15 0.08318957 0.27478311 0.97818839 F F F # 16 Si16 0.91652290 0.33824257 0.47818839 F F F # 17 Si17 0.91652290 0.40170203 0.39485506 F F F # 18 Si18 0.08318957 0.33824257 0.56152173 F F F # 19 Si19 0.08318957 0.40170203 0.31152173 F F F # 20 Si20 0.92313642 0.59380562 0.47764779 T T T # 21 Si21 0.91336687 0.14615194 0.39545165 T T T # 22 Si22 0.08891629 0.59287695 0.56303275 T T T # 23 Si23 0.08001821 0.14613640 0.31076746 T T T # 24 Si24 0.91606579 0.21112623 0.47722571 T T T # 25 Si25 0.91856877 0.52890895 0.39550632 T T T # 26 Si26 0.08271265 0.21114242 0.56230065 T T T # 27 Si27 0.08436739 0.52973920 0.30954454 T T T # 28 Si28 0.91652290 0.46516149 0.47818839 F F F # 29 Si29 0.91652290 0.27478311 0.39485506 F F F # 30 Si30 0.08318957 0.46516149 0.56152173 F F F # 31 Si31 0.08318957 0.27478311 0.31152173 F F F # 32 Si32 0.91652290 0.33824257 0.81152173 F F F # 33 Si33 0.91652290 0.40170203 0.72818839 F F F # 34 Si34 0.08318957 0.33824257 0.89485506 F F F # 35 Si35 0.08318957 0.40170203 0.64485506 F F F # 36 Si36 0.91965069 0.59365203 0.81083446 T T T # 37 Si37 0.91334993 0.14616097 0.72876984 T T T # 38 Si38 0.08505951 0.59325674 0.89686024 T T T # 39 Si39 0.07997413 0.14621147 0.64409972 T T T # 40 Si40 0.91635235 0.21110906 0.81062980 T T T # 41 Si41 0.91758554 0.52873250 0.72892009 T T T # 42 Si42 0.08298801 0.21111925 0.89569909 T T T # 43 Si43 0.08523768 0.52845235 0.64500231 T T T # 44 Si44 0.91652290 0.46516149 0.81152173 F F F # 45 Si45 0.91652290 0.27478311 0.72818839 F F F # 46 Si46 0.08318957 0.46516149 0.89485506 F F F # 47 Si47 0.08318957 0.27478311 0.64485506 F F F # 48 Si48 0.24985623 0.33824257 0.14485506 F F F # 49 Si49 0.24985623 0.40170203 0.06152173 F F F # 50 Si50 0.41652290 0.33824257 0.22818839 F F F # 51 Si51 0.41652290 0.40170203 0.97818839 F F F # 52 Si52 0.25185188 0.59331649 0.14211451 T T T # 53 Si53 0.24682265 0.14613987 0.06210115 T T T # 54 Si54 0.41761018 0.59371731 0.22731783 T T T # 55 Si55 0.41349015 0.14612736 0.97743192 T T T # 56 Si56 0.24922416 0.21111612 0.14389912 T T T # 57 Si57 0.24987508 0.52837315 0.06164721 T T T # 58 Si58 0.41589238 0.21112993 0.22895800 T T T # 59 Si59 0.41728049 0.52828523 0.97812237 T T T # 60 Si60 0.24985623 0.46516149 0.14485506 F F F # 61 Si61 0.24985623 0.27478311 0.06152173 F F F # 62 Si62 0.41652290 0.46516149 0.22818839 F F F # 63 Si63 0.41652290 0.27478311 0.97818839 F F F # 64 Si64 0.24985623 0.33824257 0.47818839 F F F # 65 Si65 0.24985623 0.40170203 0.39485506 F F F # 66 Si66 0.41652290 0.33824257 0.56152173 F F F # 67 Si67 0.41652290 0.40170203 0.31152173 F F F # 68 Si68 0.25766323 0.59289671 0.48017605 T T T # 69 Si69 0.24668278 0.14617007 0.39542048 T T T # 70 Si70 0.42479263 0.59529628 0.56116940 T T T # 71 Si71 0.41336297 0.14615270 0.31076326 T T T # 72 Si72 0.24935865 0.21113802 0.47725376 T T T # 73 Si73 0.25091062 0.52961673 0.39472721 T T T # 74 Si74 0.41608107 0.21117039 0.56223174 T T T # 75 Si75 0.41760489 0.52896706 0.30975992 T T T # 76 Si76 0.24985623 0.46516149 0.47818839 F F F # 77 Si77 0.24985623 0.27478311 0.39485506 F F F # 78 Si78 0.41652290 0.46516149 0.56152173 F F F # 79 Si79 0.41652290 0.27478311 0.31152173 F F F # 80 Si80 0.24985623 0.33824257 0.81152173 F F F # 81 Si81 0.24985623 0.40170203 0.72818839 F F F # 82 Si82 0.41652290 0.33824257 0.89485506 F F F # 83 Si83 0.41652290 0.40170203 0.64485506 F F F # 84 Si84 0.25230849 0.59418421 0.81399679 T T T # 85 Si85 0.24667940 0.14616776 0.72876787 T T T # 86 Si86 0.41904282 0.59310994 0.89748319 T T T # 87 Si87 0.41331757 0.14624877 0.64410452 T T T # 88 Si88 0.24967757 0.21111013 0.81064849 T T T # 89 Si89 0.25185225 0.52960634 0.73016543 T T T # 90 Si90 0.41631682 0.21111635 0.89570408 T T T # 91 Si91 0.41893592 0.53015473 0.64515041 T T T # 92 Si92 0.24985623 0.46516149 0.81152173 F F F # 93 Si93 0.24985623 0.27478311 0.72818839 F F F # 94 Si94 0.41652290 0.46516149 0.89485506 F F F # 95 Si95 0.41652290 0.27478311 0.64485506 F F F # 96 Si96 0.58318957 0.33824257 0.14485506 F F F # 97 Si97 0.58318957 0.40170203 0.06152173 F F F # 98 Si98 0.74985623 0.33824257 0.22818839 F F F # 99 Si99 0.74985623 0.40170203 0.97818839 F F F # 100 Si100 0.58620418 0.59395024 0.14454708 T T T # 101 Si101 0.58015143 0.14617161 0.06210895 T T T # 102 Si102 0.75403351 0.59369690 0.22816489 T T T # 103 Si103 0.74682230 0.14615007 0.97743446 T T T # 104 Si104 0.58255723 0.21113437 0.14393781 T T T # 105 Si105 0.58370554 0.52884534 0.06279922 T T T # 106 Si106 0.74925598 0.21113254 0.22897164 T T T # 107 Si107 0.74931835 0.52889464 0.97660001 T T T # 108 Si108 0.58318957 0.46516149 0.14485506 F F F # 109 Si109 0.58318957 0.27478311 0.06152173 F F F # 110 Si110 0.74985623 0.46516149 0.22818839 F F F # 111 Si111 0.74985623 0.27478311 0.97818839 F F F # 112 Si112 0.58318957 0.33824257 0.47818839 F F F # 113 Si113 0.58318957 0.40170203 0.39485506 F F F # 114 Si114 0.74985623 0.33824257 0.56152173 F F F # 115 Si115 0.74985623 0.40170203 0.31152173 F F F # 116 Si116 0.58920628 0.59215551 0.47451033 T T T # 117 Si117 0.58001905 0.14616684 0.39542805 T T T # 118 Si118 0.75457091 0.59303556 0.56070197 T T T # 119 Si119 0.74671213 0.14616268 0.31077975 T T T # 120 Si120 0.58273844 0.21113017 0.47720175 T T T # 121 Si121 0.58561777 0.52780383 0.39320656 T T T # 122 Si122 0.74940537 0.21116415 0.56226509 T T T # 123 Si123 0.75249269 0.52872959 0.30972550 T T T # 124 Si124 0.58318957 0.46516149 0.47818839 F F F # 125 Si125 0.58318957 0.27478311 0.39485506 F F F # 126 Si126 0.74985623 0.46516149 0.56152173 F F F # 127 Si127 0.74985623 0.27478311 0.31152173 F F F # 128 Si128 0.58318957 0.33824257 0.81152173 F F F # 129 Si129 0.58318957 0.40170203 0.72818839 F F F # 130 Si130 0.74985623 0.33824257 0.89485506 F F F # 131 Si131 0.74985623 0.40170203 0.64485506 F F F # 132 Si132 0.58375434 0.59341590 0.81147171 T T T # 133 Si133 0.58004051 0.14616347 0.72876134 T T T # 134 Si134 0.75190493 0.59395701 0.89450308 T T T # 135 Si135 0.74665361 0.14624645 0.64408150 T T T # 136 Si136 0.58297839 0.21110725 0.81062863 T T T # 137 Si137 0.58492381 0.52868856 0.72947807 T T T # 138 Si138 0.74965348 0.21112964 0.89567478 T T T # 139 Si139 0.75115362 0.52865496 0.64379768 T T T # 140 Si140 0.58318957 0.46516149 0.81152173 F F F # 141 Si141 0.58318957 0.27478311 0.72818839 F F F # 142 Si142 0.74985623 0.46516149 0.89485506 F F F # 143 Si143 0.74985623 0.27478311 0.64485506 F F F # 144 Si144 0.72366658 0.77496848 0.55506247 T T T # 145 Si145 0.60931547 0.78099427 0.37942520 T T T # 146 Si146 0.45363602 0.74939314 0.53544127 T T T # 147 Si147 0.92406137 0.63618037 0.07673333 T T T # 148 O1 0.90681933 0.10341838 0.12797218 T T T # 149 O2 0.09220180 0.63959017 0.28232954 T T T # 150 O3 0.07340216 0.10335968 0.91163365 T T T # 151 O4 0.93227788 0.63656143 0.41262269 T T T # 152 O5 0.90679037 0.10340401 0.46133722 T T T # 153 O6 0.09644810 0.63560929 0.62870887 T T T # 154 O7 0.07349328 0.10338492 0.24491035 T T T # 155 O8 0.92707784 0.63628238 0.74447600 T T T # 156 O9 0.90672448 0.10334156 0.79446155 T T T # 157 O10 0.09110876 0.63621761 0.96218677 T T T # 158 O11 0.07341354 0.10345411 0.57825767 T T T # 159 O12 0.25968893 0.63621073 0.07652052 T T T # 160 O13 0.24013850 0.10340916 0.12798195 T T T # 161 O14 0.42086800 0.63663914 0.29301033 T T T # 162 O15 0.40676878 0.10335680 0.91163796 T T T # 163 O16 0.26674474 0.63831531 0.41978579 T T T # 164 O17 0.24012321 0.10344453 0.46134786 T T T # 165 O18 0.42174247 0.64462269 0.60686078 T T T # 166 O19 0.40683604 0.10341356 0.24488301 T T T # 167 O20 0.25963580 0.63907787 0.75671352 T T T # 168 O21 0.24011439 0.10334273 0.79445180 T T T # 169 O22 0.42756924 0.63597212 0.96299506 T T T # 170 O23 0.40676012 0.10351224 0.57820266 T T T # 171 O24 0.59311442 0.63652317 0.07833638 T T T # 172 O25 0.57350935 0.10344401 0.12800511 T T T # 173 O26 0.76402612 0.63635187 0.29373052 T T T # 174 O27 0.74006031 0.10337947 0.91164273 T T T # 175 O28 0.59309778 0.63556924 0.40942446 T T T # 176 O29 0.57346596 0.10342910 0.46133889 T T T # 177 O30 0.75725385 0.63523494 0.62820444 T T T # 178 O31 0.74020646 0.10343890 0.24485480 T T T # 179 O32 0.58699745 0.63620444 0.74478907 T T T # 180 O33 0.57342837 0.10332415 0.79440981 T T T # 181 O34 0.75835941 0.63679677 0.96014024 T T T # 182 O35 0.74005435 0.10351292 0.57818094 T T T # 183 O36 0.59501971 0.83364534 0.35342884 T T T # 184 O37 0.41518306 0.78609188 0.60356421 T T T # 185 O38 0.70727970 0.82455578 0.59262109 T T T # 186 O39 0.33277978 0.71204508 0.52979763 T T T # 187 O40 0.63739113 0.74964955 0.29943780 T T T # 188 O41 0.84728887 0.75872684 0.59596535 T T T # 189 O42 0.85899875 0.63850607 0.03671074 T T T # 190 H1 0.97215547 0.10113654 0.16776795 T T T # 191 H2 0.04365892 0.64098710 0.33188665 T T T # 192 H3 0.13867485 0.10104113 0.87181478 T T T # 193 H4 0.86960016 0.63861621 0.37088672 T T T # 194 H5 0.97206690 0.10117286 0.50121693 T T T # 195 H6 0.03267327 0.63792136 0.66972110 T T T # 196 H7 0.13879759 0.10114910 0.20506426 T T T # 197 H8 0.86169096 0.63834706 0.70473683 T T T # 198 H9 0.97198028 0.10106318 0.83431012 T T T # 199 H10 0.02574974 0.63854653 0.00214185 T T T # 200 H11 0.13871460 0.10121806 0.53841358 T T T # 201 H12 0.19384624 0.63875604 0.03702987 T T T # 202 H13 0.30547135 0.10112836 0.16778074 T T T # 203 H14 0.35248270 0.63938518 0.32978707 T T T # 204 H15 0.47203404 0.10104140 0.87181293 T T T # 205 H16 0.28028527 0.66606366 0.44934122 T T T # 206 H17 0.30540699 0.10123954 0.50123154 T T T # 207 H18 0.37252317 0.66769169 0.58376239 T T T # 208 H19 0.47213967 0.10119638 0.20502933 T T T # 209 H20 0.20868574 0.64005965 0.70837009 T T T # 210 H21 0.30535622 0.10107913 0.83431687 T T T # 211 H22 0.36150232 0.63853071 0.00243293 T T T # 212 H23 0.47207527 0.10128524 0.53835567 T T T # 213 H24 0.52782145 0.63836358 0.03813015 T T T # 214 H25 0.63884191 0.10119518 0.16781794 T T T # 215 H26 0.69830015 0.63973018 0.33268081 T T T # 216 H27 0.80532937 0.10106070 0.87181500 T T T # 217 H28 0.52684478 0.63756348 0.37043485 T T T # 218 H29 0.63873943 0.10125501 0.50124679 T T T # 219 H30 0.69046210 0.63688441 0.66673208 T T T # 220 H31 0.80551523 0.10123482 0.20499889 T T T # 221 H32 0.51771582 0.64129658 0.71104144 T T T # 222 H33 0.63865979 0.10105571 0.83427987 T T T # 223 H34 0.69348811 0.63888918 0.00035151 T T T # 224 H35 0.80539705 0.10126284 0.53836547 T T T # 225 H36 0.79818871 0.76600512 0.71859657 T T T # 226 H37 0.92307319 0.73385803 0.69873436 T T T # 227 H38 0.97727335 0.80588800 0.75919877 T T T # 228 H39 0.90427262 0.83417988 0.67865734 T T T # 229 H40 0.02990511 0.80243400 0.65700609 T T T # 230 H41 0.33506759 0.84238344 0.56237365 T T T # 231 H42 0.23981389 0.80033454 0.59570054 T T T # 232 H43 0.24972894 0.85934768 0.70021576 T T T # 233 H44 0.40286559 0.85181820 0.70713627 T T T # 234 H45 0.30659125 0.80930008 0.74007228 T T T # 235 H46 0.29413122 0.79602091 0.44703834 T T T # 236 H47 0.40278632 0.83482987 0.42871885 T T T # 237 H48 0.26029978 0.82982167 0.31487552 T T T # 238 H49 0.29727238 0.77374644 0.29897886 T T T # 239 H50 0.40072943 0.81602018 0.28084915 T T T # 240 H51 0.52002955 0.72017771 0.22199636 T T T # 241 H52 0.52200002 0.77857768 0.21719570 T T T # 242 H53 0.61849763 0.74467898 0.09524546 T T T # 243 H54 0.72038252 0.71848187 0.16053943 T T T # 244 H55 0.71790629 0.77689809 0.15324913 T T T # 245 H56 0.17119142 0.69397149 0.58104829 T T T # 246 H57 0.21247293 0.74882475 0.60147881 T T T # 247 H58 0.04566523 0.74336090 0.50806277 T T T # 248 H59 0.12958753 0.71289405 0.43608705 T T T # 249 H60 0.16416725 0.76938887 0.45816477 T T T # 250 H61 0.76905064 0.84870572 0.33617986 T T T # 251 H62 0.68383359 0.84610016 0.24522816 T T T # 252 H63 0.72810282 0.92374264 0.27932651 T T T # 253 H64 0.66563197 0.91674407 0.37844931 T T T # 254 H65 0.57710996 0.91385733 0.28882216 T T T # 255 H66 0.61035691 0.85781625 0.50367817 T T T # 256 H67 0.55634746 0.85983995 0.60574194 T T T # 257 H68 0.72836512 0.90462713 0.64842992 T T T # 258 H69 0.64718655 0.93054815 0.56848934 T T T # 259 H70 0.78073394 0.90309204 0.54592116 T T T # 260 H71 0.77442523 0.73982849 0.42937252 T T T # 261 H72 0.80763496 0.79620678 0.42253180 T T T # 262 H73 0.43889105 0.73669144 0.39397579 T T T # 263 H74 0.63451509 0.70443633 0.56131309 T T T # 264 H75 0.59125085 0.73493704 0.64905818 T T T # 265 H76 0.74114735 0.77289649 0.44293845 T T T # 266 C1 0.46428786 0.76730477 0.42569109 T T T # 267 C2 0.60002072 0.73619010 0.58189055 T T T # 268 C3 0.87667439 0.76387081 0.68064923 T T T # 269 C4 0.95147322 0.80412443 0.69461906 T T T # 270 C5 0.32245712 0.81673395 0.60897486 T T T # 271 C6 0.32013484 0.83543752 0.69442314 T T T # 272 C7 0.37039884 0.80259233 0.40917528 T T T # 273 C8 0.33005765 0.80555004 0.32090217 T T T # 274 C9 0.57715348 0.74917016 0.22320971 T T T # 275 C10 0.66381227 0.74722714 0.15392739 T T T # 276 C11 0.21131657 0.72348091 0.55415407 T T T # 277 C12 0.13400743 0.73808755 0.48399756 T T T # 278 C13 0.68370493 0.85673046 0.30974719 T T T # 279 C14 0.66227955 0.90579233 0.31450235 T T T # 280 C15 0.63581236 0.86032070 0.56866319 T T T # 281 C16 0.70226610 0.90240879 0.58388394 T T T # 282 C17