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 0.00676975 0.45836194 0.07616516 T T T # 1 Si1 0.99895979 0.53476941 0.45102947 T T T # 2 Si2 0.24239949 0.45946940 0.21060727 T T T # 3 Si3 0.24447257 0.53929888 0.32483651 T T T # 4 Si4 0.99265299 0.23159292 0.44319173 F F F # 5 Si5 0.24265299 0.23159292 0.32820633 F F F # 6 Si6 0.99265299 0.30451028 0.07380887 F F F # 7 Si7 0.24265299 0.30451028 0.19758919 F F F # 8 Si8 0.99265299 0.38101441 0.44742132 F F F # 9 Si9 0.24265299 0.38101441 0.32397674 F F F # 10 Si10 0.00178506 0.45730201 0.56953006 T T T # 11 Si11 0.99749472 0.53825301 0.95455461 T T T # 12 Si12 0.24695873 0.46132810 0.70230135 T T T # 13 Si13 0.23796140 0.54108226 0.82569508 T T T # 14 Si14 0.24265299 0.23159292 0.82820633 F F F # 15 Si15 0.99265299 0.30451028 0.57380887 F F F # 16 Si16 0.24265299 0.30451028 0.69758919 F F F # 17 Si17 0.99265299 0.38101441 0.94742132 F F F # 18 Si18 0.24265299 0.38101441 0.82397674 F F F # 19 Si19 0.47951630 0.45796165 0.07720573 T T T # 20 Si20 0.49946196 0.53874346 0.44281690 T T T # 21 Si21 0.74416497 0.45733350 0.20039941 T T T # 22 Si22 0.75203137 0.53359700 0.32237252 T T T # 23 Si23 0.49265299 0.23159292 0.44319173 F F F # 24 Si24 0.74265299 0.23159292 0.32820633 F F F # 25 Si25 0.49265299 0.30451028 0.07380887 F F F # 26 Si26 0.74265299 0.30451028 0.19758919 F F F # 27 Si27 0.49265299 0.38101441 0.44742132 F F F # 28 Si28 0.74265299 0.38101441 0.32397674 F F F # 29 Si29 0.48768451 0.46034457 0.56408271 T T T # 30 Si30 0.48053023 0.53891268 0.95690656 T T T # 31 Si31 0.74168906 0.45583053 0.67936854 T T T # 32 Si32 0.73931728 0.51900173 0.84491224 T T T # 33 Si33 0.49265299 0.23159292 0.94319173 F F F # 34 Si34 0.74265299 0.23159292 0.82820633 F F F # 35 Si35 0.74265299 0.30451028 0.69758919 F F F # 36 Si36 0.49265299 0.38101441 0.94742132 F F F # 37 Si37 0.74265299 0.38101441 0.82397674 F F F # 38 Si38 0.23481883 0.66349387 0.76087472 T T T # 39 Si39 0.53897079 0.65832499 0.52129105 T T T # 40 Si40 0.22030134 0.59883007 0.74612611 T T T # 41 O1 0.51134924 0.59687167 0.51584139 T T T # 42 O2 0.97965189 0.58600646 0.54705091 T T T # 43 O3 0.22370689 0.59420881 0.24303793 T T T # 44 O7 0.00147549 0.59411243 0.03267769 T T T # 45 O12 0.75257396 0.58640172 0.22122637 T T T # 46 O18 0.47681362 0.58966927 0.05649228 T T T # 47 O25 0.73148698 0.45756231 0.91573776 T T T # 48 O33 0.24494436 0.69167287 0.60727526 T T T # 49 C1 0.50412894 0.79593972 0.50456667 T T T # 50 C2 0.30649516 0.78500316 0.49700118 T T T # 51 H1 0.11890785 0.68361838 0.56512476 T T T # 52 H2 0.58290772 0.83002804 0.48628765 T T T # 53 H7 0.25925238 0.73453003 0.61062134 T T T # 54 H8 0.51963867 0.77381050 0.42515378 T T T # 55 H9 0.50236058 0.78774793 0.59449302 T T T # 56 H10 0.06480716 0.58851565 0.61478206 T T T # 57 H11 0.29735530 0.59809864 0.16880578 T T T # 58 H19 0.92922816 0.59583509 0.10760280 T T T # 59 H28 0.73851550 0.62046674 0.26360988 T T T # 60 H38 0.57995612 0.59062433 0.11217696 T T T # 61 H49 0.75158815 0.45827869 0.00699126 T T T # 62 H61 0.44631105 0.68453728 0.86343992 T T T # 63 Cl 0.61546241 0.67969643 0.35308526 T T T # 64 Cl4 0.02778287 0.69500728 0.85175102 T T T # 65 Cl2 0.72687535 0.67539842 0.63110673 T T T # 66 Cl3