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 0.00773148 0.45886883 0.07488793 T T T # 1 Si1 0.00126040 0.53556798 0.44901439 T T T # 2 Si2 0.24376781 0.46041633 0.20880124 T T T # 3 Si3 0.24659700 0.54031747 0.32283391 T T T # 4 Si4 0.99387749 0.23251285 0.44140856 F F F # 5 Si5 0.24387749 0.23251285 0.32642316 F F F # 6 Si6 0.99387749 0.30543021 0.07202570 F F F # 7 Si7 0.24387749 0.30543021 0.19580602 F F F # 8 Si8 0.99387749 0.38193434 0.44563815 F F F # 9 Si9 0.24387749 0.38193434 0.32219357 F F F # 10 Si10 0.00347729 0.45819097 0.56773103 T T T # 11 Si11 0.99909167 0.53851991 0.95359313 T T T # 12 Si12 0.24844913 0.46250667 0.70069243 T T T # 13 Si13 0.23875076 0.54235891 0.82446934 T T T # 14 Si14 0.24387749 0.23251285 0.82642316 F F F # 15 Si15 0.99387749 0.30543021 0.57202570 F F F # 16 Si16 0.24387749 0.30543021 0.69580602 F F F # 17 Si17 0.99387749 0.38193434 0.94563815 F F F # 18 Si18 0.24387749 0.38193434 0.82219357 F F F # 19 Si19 0.48054291 0.45901204 0.07509177 T T T # 20 Si20 0.50118263 0.53972663 0.44094206 T T T # 21 Si21 0.74483962 0.45814589 0.19862780 T T T # 22 Si22 0.75378922 0.53435983 0.32063939 T T T # 23 Si23 0.49387749 0.23251285 0.44140856 F F F # 24 Si24 0.74387749 0.23251285 0.32642316 F F F # 25 Si25 0.49387749 0.30543021 0.07202570 F F F # 26 Si26 0.74387749 0.30543021 0.19580602 F F F # 27 Si27 0.49387749 0.38193434 0.44563815 F F F # 28 Si28 0.74387749 0.38193434 0.32219357 F F F # 29 Si29 0.48924132 0.46135815 0.56249770 T T T # 30 Si30 0.48204438 0.54013243 0.95495366 T T T # 31 Si31 0.74340524 0.45678701 0.67765693 T T T # 32 Si32 0.74088066 0.51991703 0.84327604 T T T # 33 Si33 0.49387749 0.23251285 0.94140856 F F F # 34 Si34 0.74387749 0.23251285 0.82642316 F F F # 35 Si35 0.74387749 0.30543021 0.69580602 F F F # 36 Si36 0.49387749 0.38193434 0.94563815 F F F # 37 Si37 0.74387749 0.38193434 0.82219357 F F F # 38 Si38 0.22638454 0.66531518 0.76466642 T T T # 39 Si39 0.55228964 0.65867507 0.52203913 T T T # 40 Si40 0.21754562 0.60064851 0.74749272 T T T # 41 O1 0.51137261 0.59828891 0.51182862 T T T # 42 O2 0.98258303 0.58663601 0.54543227 T T T # 43 O3 0.22731200 0.59555803 0.24216358 T T T # 44 O7 0.00393586 0.59393179 0.03322458 T T T # 45 O12 0.75342740 0.58698184 0.21902640 T T T # 46 O18 0.47843574 0.59101634 0.05411233 T T T # 47 O25 0.73122837 0.45846734 0.91409219 T T T # 48 O33 0.22488187 0.69457537 0.61296634 T T T # 49 C1 0.50782265 0.78450441 0.51174926 T T T # 50 C2 0.28479628 0.76945816 0.50682861 T T T # 51 H1 0.09554937 0.68780894 0.57610389 T T T # 52 H2 0.58851700 0.81753177 0.49327245 T T T # 53 H7 0.24362295 0.73728769 0.61658688 T T T # 54 H8 0.50204591 0.76600333 0.42654260 T T T # 55 H9 0.49133236 0.77807901 0.59929320 T T T # 56 H10 0.06744163 0.58930801 0.61330839 T T T # 57 H11 0.29904644 0.59928564 0.16699678 T T T # 58 H19 0.92921868 0.59573996 0.10695238 T T T # 59 H28 0.74362964 0.62109200 0.26195338 T T T # 60 H38 0.58113492 0.59186948 0.11023438 T T T # 61 H49 0.75347697 0.45909192 0.00508119 T T T # 62 H61 0.44016173 0.68751279 0.86335084 T T T # 63 Cl 0.64946209 0.67937185 0.36002807 T T T # 64 Cl4 0.02239592 0.69524657 0.86167193 T T T # 65 Cl2 0.72799098 0.67030247 0.64327241 T T T # 66 Cl3