No title 1.0 7.66310000 0.00000000 0.00000000 0.00000000 25.32620000 0.00000000 0.00000000 0.00000000 10.83726000 Si O C H Cl 40 8 2 12 4 Selective dynamics Direct 0.00868403 0.45936639 0.07362762 T T T # 1 Si1 0.00352569 0.53635736 0.44703304 T T T # 2 Si2 0.24512320 0.46135006 0.20702355 T T T # 3 Si3 0.24868776 0.54132033 0.32085706 T T T # 4 Si4 0.99510199 0.23343279 0.43962538 F F F # 5 Si5 0.24510199 0.23343279 0.32463998 F F F # 6 Si6 0.99510199 0.30635015 0.07024252 F F F # 7 Si7 0.24510199 0.30635015 0.19402284 F F F # 8 Si8 0.99510199 0.38285428 0.44385497 F F F # 9 Si9 0.24510199 0.38285428 0.32041039 F F F # 10 Si10 0.00513967 0.45906633 0.56596894 T T T # 11 Si11 0.00067579 0.53878397 0.95264723 T T T # 12 Si12 0.24992720 0.46367117 0.69910166 T T T # 13 Si13 0.23952439 0.54360926 0.82326842 T T T # 14 Si14 0.24510199 0.23343279 0.82463998 F F F # 15 Si15 0.99510199 0.30635015 0.57024252 F F F # 16 Si16 0.24510199 0.30635015 0.69402284 F F F # 17 Si17 0.99510199 0.38285428 0.94385497 F F F # 18 Si18 0.24510199 0.38285428 0.82041039 F F F # 19 Si19 0.48154984 0.46004784 0.07300554 T T T # 20 Si20 0.50287644 0.54069563 0.43907673 T T T # 21 Si21 0.74552083 0.45894794 0.19688365 T T T # 22 Si22 0.75551984 0.53511997 0.31892180 T T T # 23 Si23 0.49510199 0.23343279 0.43962538 F F F # 24 Si24 0.74510199 0.23343279 0.32463998 F F F # 25 Si25 0.49510199 0.30635015 0.07024252 F F F # 26 Si26 0.74510199 0.30635015 0.19402284 F F F # 27 Si27 0.49510199 0.38285428 0.44385497 F F F # 28 Si28 0.74510199 0.38285428 0.32041039 F F F # 29 Si29 0.49078068 0.46236153 0.56093534 T T T # 30 Si30 0.48353795 0.54133577 0.95302658 T T T # 31 Si31 0.74509762 0.45773335 0.67597107 T T T # 32 Si32 0.74241641 0.52082200 0.84165602 T T T # 33 Si33 0.49510199 0.23343279 0.93962538 F F F # 34 Si34 0.74510199 0.23343279 0.82463998 F F F # 35 Si35 0.74510199 0.30635015 0.69402284 F F F # 36 Si36 0.49510199 0.38285428 0.94385497 F F F # 37 Si37 0.74510199 0.38285428 0.82041039 F F F # 38 Si38 0.21816304 0.66711803 0.76839321 T T T # 39 Si39 0.56642981 0.65924640 0.52285772 T T T # 40 Si40 0.21481790 0.60248656 0.74883393 T T T # 41 O1 0.51141132 0.59986837 0.50789229 T T T # 42 O2 0.98549323 0.58725274 0.54383060 T T T # 43 O3 0.23087167 0.59688662 0.24129789 T T T # 44 O7 0.00635433 0.59375089 0.03377067 T T T # 45 O12 0.75423613 0.58754848 0.21686447 T T T # 46 O18 0.48003191 0.59234396 0.05175608 T T T # 47 O25 0.73097533 0.45935788 0.91247754 T T T # 48 O33 0.20477863 0.69757178 0.61788026 T T T # 49 C1 0.51254329 0.77242860 0.51759440 T T T # 50 C2 0.26324368 0.75366103 0.51673302 T T T # 51 H1 0.07258671 0.69201328 0.58718605 T T T # 52 H2 0.59454396 0.80502196 0.50019710 T T T # 53 H7 0.22783675 0.74008857 0.62297812 T T T # 54 H8 0.48371710 0.75903144 0.42956987 T T T # 55 H9 0.47993161 0.76879600 0.60352779 T T T # 56 H10 0.07002316 0.59008869 0.61184974 T T T # 57 H11 0.30070930 0.60045524 0.16522332 T T T # 58 H19 0.92921331 0.59564622 0.10630681 T T T # 59 H28 0.74865060 0.62173177 0.26034793 T T T # 60 H38 0.58230599 0.59309760 0.10832711 T T T # 61 H49 0.75533846 0.45989289 0.00319240 T T T # 62 H61 0.43405146 0.69044624 0.86322146 T T T # 63 Cl 0.68310105 0.67891720 0.36696029 T T T # 64 Cl4 0.01719464 0.69546327 0.87136279 T T T # 65 Cl2 0.72859796 0.66515663 0.65497736 T T T # 66 Cl3