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 0.00480142 0.45733437 0.07875075 T T T # 1 Si1 0.99430291 0.53315509 0.45510282 T T T # 2 Si2 0.23964828 0.45755143 0.21425773 T T T # 3 Si3 0.24016543 0.53724501 0.32887119 T T T # 4 Si4 0.99020398 0.22975306 0.44675807 F F F # 5 Si5 0.24020398 0.22975306 0.33177267 F F F # 6 Si6 0.99020398 0.30267042 0.07737521 F F F # 7 Si7 0.24020398 0.30267042 0.20115553 F F F # 8 Si8 0.99020398 0.37917455 0.45098766 F F F # 9 Si9 0.24020398 0.37917455 0.32754308 F F F # 10 Si10 0.99837853 0.45551156 0.57315095 T T T # 11 Si11 0.99424658 0.53771954 0.95650043 T T T # 12 Si12 0.24392996 0.45894424 0.70555898 T T T # 13 Si13 0.23636535 0.53850779 0.82816794 T T T # 14 Si14 0.24020398 0.22975306 0.83177267 F F F # 15 Si15 0.99020398 0.30267042 0.57737521 F F F # 16 Si16 0.24020398 0.30267042 0.70115553 F F F # 17 Si17 0.99020398 0.37917455 0.95098766 F F F # 18 Si18 0.24020398 0.37917455 0.82754308 F F F # 19 Si19 0.47743750 0.45583424 0.08148000 T T T # 20 Si20 0.49597123 0.53675468 0.44659850 T T T # 21 Si21 0.74277902 0.45569229 0.20398198 T T T # 22 Si22 0.74848117 0.53205982 0.32586208 T T T # 23 Si23 0.49020398 0.22975306 0.44675807 F F F # 24 Si24 0.74020398 0.22975306 0.33177267 F F F # 25 Si25 0.49020398 0.30267042 0.07737521 F F F # 26 Si26 0.74020398 0.30267042 0.20115553 F F F # 27 Si27 0.49020398 0.37917455 0.45098766 F F F # 28 Si28 0.74020398 0.37917455 0.32754308 F F F # 29 Si29 0.48452706 0.45829326 0.56730740 T T T # 30 Si30 0.47748369 0.53645035 0.96086293 T T T # 31 Si31 0.73821624 0.45389506 0.68283029 T T T # 32 Si32 0.73615161 0.51715290 0.84822604 T T T # 33 Si33 0.49020398 0.22975306 0.94675807 F F F # 34 Si34 0.74020398 0.22975306 0.83177267 F F F # 35 Si35 0.74020398 0.30267042 0.70115553 F F F # 36 Si36 0.49020398 0.37917455 0.95098766 F F F # 37 Si37 0.74020398 0.37917455 0.82754308 F F F # 38 Si38 0.25180286 0.65979106 0.75324846 T T T # 39 Si39 0.51452410 0.65771650 0.51941127 T T T # 40 Si40 0.22587898 0.59521301 0.74334427 T T T # 41 O1 0.51111615 0.59434392 0.52377628 T T T # 42 O2 0.97376169 0.58472995 0.55031934 T T T # 43 O3 0.21642259 0.59146849 0.24478415 T T T # 44 O7 0.99647810 0.59446892 0.03160157 T T T # 45 O12 0.75075090 0.58525630 0.22570333 T T T # 46 O18 0.47353254 0.58694412 0.06130627 T T T # 47 O25 0.73201628 0.45573687 0.91908440 T T T # 48 O33 0.28417356 0.68562817 0.59570929 T T T # 49 C1 0.50393909 0.81795745 0.48948941 T T T # 50 C2 0.34837909 0.81607161 0.47720838 T T T # 51 H1 0.16618239 0.67526274 0.54334650 T T T # 52 H2 0.57253471 0.85509089 0.47230603 T T T # 53 H7 0.29063412 0.72901864 0.59877628 T T T # 54 H8 0.55054912 0.79096843 0.42304062 T T T # 55 H9 0.52315777 0.80759312 0.58425644 T T T # 56 H10 0.05945920 0.58691860 0.61775596 T T T # 57 H11 0.29391152 0.59569814 0.17248841 T T T # 58 H19 0.92927495 0.59602836 0.10888220 T T T # 59 H28 0.72814235 0.61917420 0.26689416 T T T # 60 H38 0.57757377 0.58810826 0.11610984 T T T # 61 H49 0.74776724 0.45663349 0.01083346 T T T # 62 H61 0.45863670 0.67852513 0.86351277 T T T # 63 Cl 0.54719315 0.68020375 0.33968888 T T T # 64 Cl4 0.03893374 0.69449846 0.83158615 T T T # 65 Cl2 0.72333932 0.68540307 0.60621823 T T T # 66 Cl3