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 0.00964214 0.45986077 0.07238033 T T T # 1 Si1 0.00577027 0.53714219 0.44506834 T T T # 2 Si2 0.24645017 0.46227514 0.20525674 T T T # 3 Si3 0.25076029 0.54231391 0.31889721 T T T # 4 Si4 0.99632649 0.23435272 0.43784221 F F F # 5 Si5 0.24632649 0.23435272 0.32285681 F F F # 6 Si6 0.99632649 0.30727008 0.06845935 F F F # 7 Si7 0.24632649 0.30727008 0.19223967 F F F # 8 Si8 0.99632649 0.38377421 0.44207180 F F F # 9 Si9 0.24632649 0.38377421 0.31862722 F F F # 10 Si10 0.00678751 0.45993267 0.56421643 T T T # 11 Si11 0.00223931 0.53904792 0.95170361 T T T # 12 Si12 0.25138787 0.46482015 0.69752065 T T T # 13 Si13 0.24028076 0.54485010 0.82208281 T T T # 14 Si14 0.24632649 0.23435272 0.82285681 F F F # 15 Si15 0.99632649 0.30727008 0.56845935 F F F # 16 Si16 0.24632649 0.30727008 0.69223967 F F F # 17 Si17 0.99632649 0.38377421 0.94207180 F F F # 18 Si18 0.24632649 0.38377421 0.81862722 F F F # 19 Si19 0.48256042 0.46107424 0.07093455 T T T # 20 Si20 0.50458444 0.54166822 0.43722919 T T T # 21 Si21 0.74618505 0.45974352 0.19514801 T T T # 22 Si22 0.75722685 0.53587500 0.31722060 T T T # 23 Si23 0.49632649 0.23435272 0.43784221 F F F # 24 Si24 0.74632649 0.23435272 0.32285681 F F F # 25 Si25 0.49632649 0.30727008 0.06845935 F F F # 26 Si26 0.74632649 0.30727008 0.19223967 F F F # 27 Si27 0.49632649 0.38377421 0.44207180 F F F # 28 Si28 0.74632649 0.38377421 0.31862722 F F F # 29 Si29 0.49230935 0.46335243 0.55938333 T T T # 30 Si30 0.48501898 0.54252497 0.95111052 T T T # 31 Si31 0.74678535 0.45866859 0.67430136 T T T # 32 Si32 0.74394700 0.52171803 0.84004226 T T T # 33 Si33 0.49632649 0.23435272 0.93784221 F F F # 34 Si34 0.74632649 0.23435272 0.82285681 F F F # 35 Si35 0.74632649 0.30727008 0.69223967 F F F # 36 Si36 0.49632649 0.38377421 0.94207180 F F F # 37 Si37 0.74632649 0.38377421 0.81862722 F F F # 38 Si38 0.20992378 0.66887485 0.77213560 T T T # 39 Si39 0.58089731 0.65993191 0.52385162 T T T # 40 Si40 0.21212240 0.60434704 0.75013889 T T T # 41 O1 0.51157068 0.60156925 0.50401882 T T T # 42 O2 0.98840421 0.58786723 0.54224558 T T T # 43 O3 0.23440179 0.59820706 0.24043154 T T T # 44 O7 0.00874249 0.59357024 0.03432069 T T T # 45 O12 0.75499787 0.58813614 0.21475701 T T T # 46 O18 0.48160682 0.59366101 0.04942071 T T T # 47 O25 0.73072737 0.46024159 0.91088202 T T T # 48 O33 0.18509287 0.70096278 0.62169330 T T T # 49 C1 0.51564154 0.75987907 0.52185982 T T T # 50 C2 0.24161971 0.73750346 0.52714043 T T T # 51 H1 0.04996118 0.69618317 0.59839680 T T T # 52 H2 0.60051607 0.79248443 0.50702763 T T T # 53 H7 0.21211775 0.74291302 0.62959828 T T T # 54 H8 0.46665442 0.75253482 0.43472240 T T T # 55 H9 0.46894543 0.75974397 0.60722196 T T T # 56 H10 0.07255789 0.59085853 0.61040394 T T T # 57 H11 0.30235100 0.60161437 0.16347436 T T T # 58 H19 0.92921777 0.59555425 0.10565993 T T T # 59 H28 0.75366200 0.62237366 0.25877217 T T T # 60 H38 0.58346869 0.59431487 0.10643915 T T T # 61 H49 0.75718097 0.46068632 0.00131421 T T T # 62 H61 0.42794226 0.69335096 0.86305679 T T T # 63 Cl 0.71642851 0.67837943 0.37393443 T T T # 64 Cl4 0.01217449 0.69567632 0.88086923 T T T # 65 Cl2 0.72876512 0.66002923 0.66616621 T T T # 66 Cl3