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 0.01061992 0.46036831 0.07109893 T T T # 1 Si1 0.00807569 0.53794171 0.44304337 T T T # 2 Si2 0.24781340 0.46322505 0.20345098 T T T # 3 Si3 0.25288805 0.54333112 0.31689272 T T T # 4 Si4 0.99755100 0.23527265 0.43605904 F F F # 5 Si5 0.24755100 0.23527265 0.32107364 F F F # 6 Si6 0.99755100 0.30819001 0.06667618 F F F # 7 Si7 0.24755100 0.30819001 0.19045650 F F F # 8 Si8 0.99755100 0.38469414 0.44028863 F F F # 9 Si9 0.24755100 0.38469414 0.31684405 F F F # 10 Si10 0.00847668 0.46082288 0.56241966 T T T # 11 Si11 0.00384394 0.53931910 0.95073030 T T T # 12 Si12 0.25289306 0.46600111 0.69589980 T T T # 13 Si13 0.24106496 0.54614406 0.82084345 T T T # 14 Si14 0.24755100 0.23527265 0.82107364 F F F # 15 Si15 0.99755100 0.30819001 0.56667618 F F F # 16 Si16 0.24755100 0.30819001 0.69045650 F F F # 17 Si17 0.99755100 0.38469414 0.94028863 F F F # 18 Si18 0.24755100 0.38469414 0.81684405 F F F # 19 Si19 0.48359456 0.46212674 0.06881631 T T T # 20 Si20 0.50636590 0.54267248 0.43536295 T T T # 21 Si21 0.74687024 0.46055887 0.19336897 T T T # 22 Si22 0.75897612 0.53663221 0.31550771 T T T # 23 Si23 0.49755100 0.23527265 0.43605904 F F F # 24 Si24 0.74755100 0.23527265 0.32107364 F F F # 25 Si25 0.49755100 0.30819001 0.06667618 F F F # 26 Si26 0.74755100 0.30819001 0.19045650 F F F # 27 Si27 0.49755100 0.38469414 0.44028863 F F F # 28 Si28 0.74755100 0.38469414 0.31684405 F F F # 29 Si29 0.49388138 0.46436954 0.55778791 T T T # 30 Si30 0.48652816 0.54374443 0.94914310 T T T # 31 Si31 0.74850793 0.45963015 0.67258272 T T T # 32 Si32 0.74551080 0.52264190 0.83838964 T T T # 33 Si33 0.49755100 0.23527265 0.93605904 F F F # 34 Si34 0.74755100 0.23527265 0.82107364 F F F # 35 Si35 0.74755100 0.30819001 0.69045650 F F F # 36 Si36 0.49755100 0.38469414 0.94028863 F F F # 37 Si37 0.74755100 0.38469414 0.81684405 F F F # 38 Si38 0.20108394 0.67064038 0.77601692 T T T # 39 Si39 0.59511455 0.66029889 0.52520487 T T T # 40 Si40 0.20940229 0.60620368 0.75150715 T T T # 41 O1 0.51208094 0.60336748 0.50007158 T T T # 42 O2 0.99138943 0.58850399 0.54062447 T T T # 43 O3 0.23802659 0.59956110 0.23953814 T T T # 44 O7 0.01116846 0.59338091 0.03490591 T T T # 45 O12 0.75577992 0.58882060 0.21268532 T T T # 46 O18 0.48323507 0.59501327 0.04704224 T T T # 47 O25 0.73047626 0.46114748 0.90925343 T T T # 48 O33 0.16483973 0.70392631 0.62736987 T T T # 49 C1 0.51540413 0.74737524 0.52523719 T T T # 50 C2 0.22057542 0.72192969 0.53682610 T T T # 51 H1 0.02703988 0.70039375 0.60976183 T T T # 52 H2 0.60570693 0.77976826 0.51396579 T T T # 53 H7 0.19652026 0.74561953 0.63541830 T T T # 54 H8 0.45195550 0.74546017 0.44112550 T T T # 55 H9 0.45876640 0.75023707 0.61094376 T T T # 56 H10 0.07516058 0.59164811 0.60894246 T T T # 57 H11 0.30402530 0.60280348 0.16168360 T T T # 58 H19 0.92924983 0.59545951 0.10497300 T T T # 59 H28 0.75880566 0.62298228 0.25707865 T T T # 60 H38 0.58463833 0.59556303 0.10448546 T T T # 61 H49 0.75906695 0.46149976 0.99938116 T T T # 62 H61 0.42170243 0.69632619 0.86289946 T T T # 63 Cl 0.75004991 0.67787125 0.38147604 T T T # 64 Cl4 0.00699184 0.69591724 0.89067747 T T T # 65 Cl2 0.72857141 0.65489339 0.67708789 T T T # 66 Cl3