job.id 257 job.name {Continue job 254, NVT 0.2.fs, 1000ps 300K,H2O droplet on SiO2 surface} job.description { } job.status finished job.submitted {2024-11-24 23:32:06} job.started {2024-11-24 23:32:06} job.finished {2024-11-25 21:19:22} job.queue 15 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-b17b1459-3f65-46e8-a358-0cde03d59cad MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-b17b1459-3f65-46e8-a358-0cde03d59cad Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4 out} in,anchor n} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-0f151626-fea0-4095-b8c8-53872e0a3f84 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-0f151626-fea0-4095-b8c8-53872e0a3f84 Options {-finaltemperature {$T} -trajectorysampling {10 ps} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {1000 ps} -temperaturecontrol Nose-Hoover -dpd_seed 1234567 -initialtemperature {$T} -sampling {10000 samples} -rescaling_interval 100 -berendsen_damping {100.0 fs} -rescaling_fraction 1.0 -nativetrajectory 0 -rescaling_window 20 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-670bd0e6-41f2-4435-9447-bd9383101b4f {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-670bd0e6-41f2-4435-9447-bd9383101b4f Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-2f503b58-228d-4efb-9f7e-375cb351d44c MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-2f503b58-228d-4efb-9f7e-375cb351d44c Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-start-670bd0e6-41f2-4435-9447-bd9383101b4f out}} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } } Connections { md-lammps-stage-2f503b58-228d-4efb-9f7e-375cb351d44c,md-lammps-stage-0f151626-fea0-4095-b8c8-53872e0a3f84 1 md-stage-start-670bd0e6-41f2-4435-9447-bd9383101b4f,md-lammps-stage-2f503b58-228d-4efb-9f7e-375cb351d44c 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-oval-c5c7f534-71dd-46f3-b970-8f71dd9211db ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-c5c7f534-71dd-46f3-b970-8f71dd9211db Options {-height 120 -selected 0 -description {3-d periodic Using ReaxFF potential Run LAMMPS on GPU} -fill LightBlue -x 110 -width 160 -y 94 -title Initialize -stage md-lammps-stage-2f503b58-228d-4efb-9f7e-375cb351d44c} } md-flowchart-circle1-843ce9ca-05d7-45e2-a13f-9a13f7dc4d04 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-843ce9ca-05d7-45e2-a13f-9a13f7dc4d04 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-670bd0e6-41f2-4435-9447-bd9383101b4f} } md-flowchart-rectangle-8821cc1b-5b18-4ea7-a270-9c4cf1d43bbd ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-8821cc1b-5b18-4ea7-a270-9c4cf1d43bbd Options {-height 120 -selected 0 -description {Temp: $T Time: 1000 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 10 ps} -fill LightBlue -x 110 -width 160 -y 234 -title NVT -stage md-lammps-stage-0f151626-fea0-4095-b8c8-53872e0a3f84} } } Connections { md-flowchart-oval-c5c7f534-71dd-46f3-b970-8f71dd9211db,md-flowchart-rectangle-8821cc1b-5b18-4ea7-a270-9c4cf1d43bbd 48 md-flowchart-circle1-843ce9ca-05d7-45e2-a13f-9a13f7dc4d04,md-flowchart-oval-c5c7f534-71dd-46f3-b970-8f71dd9211db 52 } } } } md-stage-start-01614a05-9bb4-4e61-a3d9-f58f0ab34361 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-01614a05-9bb4-4e61-a3d9-f58f0ab34361 Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4,md-lammps-stage-b17b1459-3f65-46e8-a358-0cde03d59cad 1 md-stage-start-01614a05-9bb4-4e61-a3d9-f58f0ab34361,md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-1b56fb5e-bfff-46b1-b7b5-89268b3d0741 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-1b56fb5e-bfff-46b1-b7b5-89268b3d0741 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-01614a05-9bb4-4e61-a3d9-f58f0ab34361} } md-flowchart-oval-9830d3cd-8c77-4ae2-9689-5f76c091e45d ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-9830d3cd-8c77-4ae2-9689-5f76c091e45d Options {-height 120 -selected 0 -description {tstep = 0.2 fs T = 300 K P = 0 atm} -fill #e6eb7a -x 110 -width 160 -y 94 -title Variables -stage md-stage-variables-3b9e518f-395b-4ffd-bc88-536c54642ed4} } md-flowchart-rectangle-752c2c9f-00c0-497c-a4a1-2d9ec69ba036 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-752c2c9f-00c0-497c-a4a1-2d9ec69ba036 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-b17b1459-3f65-46e8-a358-0cde03d59cad} } } Connections { md-flowchart-oval-9830d3cd-8c77-4ae2-9689-5f76c091e45d,md-flowchart-rectangle-752c2c9f-00c0-497c-a4a1-2d9ec69ba036 118 md-flowchart-circle1-1b56fb5e-bfff-46b1-b7b5-89268b3d0741,md-flowchart-oval-9830d3cd-8c77-4ae2-9689-5f76c091e45d 112 } } } data.workspace {Class ::MD::Workspace Version 1.0 Packages { MD::Db::MaterialsDesign 1.0 MD::Db::ICSD 1.0 MD::Db::COD 1.0 jobcontrol 3.0 Thread 2.8.7 MD::FF 1.0.1 MD::Db 1.1 MD::Db::Pearson 1.0 database 1.0 MD::Db::MetaDb 1.1 MD::Db::NCD 1.0 MD::Db::Pauling 1.0 Utility 1.0 } Variables { scalar ::__ff ReaxFF_CHONFClSi scalar ::__fffile Forcefields.kit::ReaxFF/CHONFClSi.frc scalar ::MedeADb C:/MD/Databases/MedeA.db array ::Units {scalar energy eV} object ::system {::System {@Title (COD #9001578)_50x3x3 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} FFAtomType string {{}} FFCharge double 0.0 Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} Si 0.0 {0.00842209 0.963883 0.957733} Si1 1 0.0 -1 14 {} Si 0.0 {0.0164775 0.964354 0.210573} Si2 2 0.0 -1 14 {} Si 0.0 {0.00752516 0.987775 0.0467144} Si3 3 0.0 -1 14 {} Si 0.0 {0.0167372 0.991156 0.143405} Si4 4 0.0 -1 8 {} O 0.0 {0.00986386 0.952096 0.00144432} O1 5 0.0 -1 8 {} O 0.0 {0.017465 0.979397 0.19206} O2 6 0.0 -1 8 {} O 0.0 {0.00929102 0.976716 0.99667} O3 7 0.0 -1 8 {} O 0.0 {0.0166431 0.00555328 0.174292} O4 8 0.0 -1 8 {} O 0.0 {0.0218161 0.990417 0.0985017} O5 9 0.0 -1 8 {} O 0.0 {0.0118669 0.98725 0.103091} O6 10 0.0 -1 8 {} O 0.0 {0.0117864 0.964992 0.263485} O7 11 0.0 -1 8 {} O 0.0 {0.00186682 0.957874 0.269557} O8 12 0.0 -1 14 {} Si 0.0 {0.00684481 0.964054 0.308783} Si5 13 0.0 -1 14 {} Si 0.0 {0.0172349 0.961109 0.555185} Si6 14 0.0 -1 14 {} Si 0.0 {0.00685627 0.988192 0.395766} Si7 15 0.0 -1 14 {} Si 0.0 {0.0175494 0.985812 0.47384} Si8 16 0.0 -1 8 {} O 0.0 {0.00869232 0.951373 0.345797} O9 17 0.0 -1 8 {} O 0.0 {0.0171851 0.974977 0.527888} O10 18 0.0 -1 8 {} O 0.0 {0.00574425 0.975953 0.353847} O11 19 0.0 -1 8 {} O 0.0 {0.0183626 0.999774 0.503072} O12 20 0.0 -1 8 {} O 0.0 {0.0220783 0.983468 0.424727} O13 21 0.0 -1 8 {} O 0.0 {0.0118783 0.98598 0.439854} O14 22 0.0 -1 8 {} O 0.0 {0.0123925 0.957417 0.596424} O15 23 0.0 -1 8 {} O 0.0 {0.00241973 0.958843 0.626411} O16 24 0.0 -1 14 {} Si 0.0 {0.0082978 0.960253 0.654883} Si9 25 0.0 -1 14 {} Si 0.0 {0.0176195 0.966031 0.860389} Si10 26 0.0 -1 14 {} Si 0.0 {0.00716557 0.987352 0.718116} Si11 27 0.0 -1 14 {} Si 0.0 {0.0165825 0.994079 0.810679} Si12 28 0.0 -1 8 {} O 0.0 {0.0107375 0.951792 0.713714} O17 29 0.0 -1 8 {} O 0.0 {0.0170902 0.981185 0.855059} O18 30 0.0 -1 8 {} O 0.0 {0.00855861 0.975089 0.677099} O19 31 0.0 -1 8 {} O 0.0 {0.0150958 0.00681011 0.850377} O20 32 0.0 -1 8 {} O 0.0 {0.021505 0.995879 0.761912} O21 33 0.0 -1 8 {} O 0.0 {0.0116926 0.991174 0.76492} O22 34 0.0 -1 8 {} O 0.0 {0.0125685 0.960379 0.903995} O23 35 0.0 -1 8 {} O 0.0 {0.00226541 0.959797 0.944064} O24 36 0.0 -1 14 {} Si 0.0 {0.0060736 0.0146526 0.987648} Si13 37 0.0 -1 14 {} Si 0.0 {0.0173841 0.0168378 0.226572} Si14 38 0.0 -1 14 {} Si 0.0 {0.00584546 0.0407217 0.069768} Si15 39 0.0 -1 14 {} Si 0.0 {0.0165439 0.0401057 0.139832} Si16 40 0.0 -1 8 {} O 0.0 {0.00662112 0.00222096 0.0315586} O25 41 0.0 -1 8 {} O 0.0 {0.0175061 0.0307928 0.198852} O26 42 0.0 -1 8 {} O 0.0 {0.00554911 0.0271819 0.0288024} O27 43 0.0 -1 8 {} O 0.0 {0.0175878 0.0544295 0.167031} O28 44 0.0 -1 8 {} O 0.0 {0.0209288 0.0374241 0.0893815} O29 45 0.0 -1 8 {} O 0.0 {0.0106002 0.0390382 0.117747} O30 46 0.0 -1 8 {} O 0.0 {0.0128033 0.0166879 0.27675} O31 47 0.0 -1 8 {} O 0.0 {0.00371649 0.00952783 0.256467} O32 48 0.0 -1 14 {} Si 0.0 {0.00744603 0.0137303 0.31288} Si17 49 0.0 -1 14 {} Si 0.0 {0.0176347 0.0109172 0.552307} Si18 50 0.0 -1 14 {} Si 0.0 {0.00701734 0.0377916 0.395191} Si19 51 0.0 -1 14 {} Si 0.0 {0.0167655 0.0382907 0.478798} Si20 52 0.0 -1 8 {} O 0.0 {0.00766521 0.000854697 0.355254} O33 53 0.0 -1 8 {} O 0.0 {0.0160221 0.0243155 0.51543} O34 54 0.0 -1 8 {} O 0.0 {0.00572223 0.0264048 0.349656} O35 55 0.0 -1 8 {} O 0.0 {0.0155291 0.0505802 0.519931} O36 56 0.0 -1 8 {} O 0.0 {0.0222602 0.0395399 0.447672} O37 57 0.0 -1 8 {} O 0.0 {0.0128935 0.0387195 0.422262} O38 58 0.0 -1 8 {} O 0.0 {0.012836 0.00759296 0.59712} O39 59 0.0 -1 8 {} O 0.0 {0.00274701 0.0128702 0.588775} O40 60 0.0 -1 14 {} Si 0.0 {0.00760659 0.0119433 0.637663} Si21 61 0.0 -1 14 {} Si 0.0 {0.0162734 0.0166163 0.906146} Si22 62 0.0 -1 14 {} Si 0.0 {0.00676585 0.0369501 0.725734} Si23 63 0.0 -1 14 {} Si 0.0 {0.0162578 0.040745 0.811843} Si24 64 0.0 -1 8 {} O 0.0 {0.00584043 0.999771 0.680095} O41 65 0.0 -1 8 {} O 0.0 {0.0167833 0.0298832 0.86707} O42 66 0.0 -1 8 {} O 0.0 {0.00821975 0.0251586 0.675066} O43 67 0.0 -1 8 {} O 0.0 {0.0157536 0.0553103 0.830728} O44 68 0.0 -1 8 {} O 0.0 {0.0218172 0.0396684 0.770741} O45 69 0.0 -1 8 {} O 0.0 {0.0110204 0.0364323 0.777028} O46 70 0.0 -1 8 {} O 0.0 {0.0116469 0.0157594 0.955059} O47 71 0.0 -1 8 {} O 0.0 {0.00170977 0.0139714 0.934822} O48 72 0.0 -1 14 {} Si 0.0 {0.00635223 0.0653393 0.978467} Si25 73 0.0 -1 14 {} Si 0.0 {0.0159287 0.0651829 0.215196} Si26 74 0.0 -1 14 {} Si 0.0 {0.00512046 0.0905447 0.0580454} Si27 75 0.0 -1 14 {} Si 0.0 {0.0158574 0.0900738 0.128933} Si28 76 0.0 -1 8 {} O 0.0 {0.00646146 0.0530069 0.0274021} O49 77 0.0 -1 8 {} O 0.0 {0.0150717 0.0788467 0.179295} O50 78 0.0 -1 8 {} O 0.0 {0.0055719 0.078079 0.0171379} O51 79 0.0 -1 8 {} O 0.0 {0.0157554 0.10256 0.1662} O52 80 0.0 -1 8 {} O 0.0 {0.0217197 0.0889443 0.0964317} O53 81 0.0 -1 8 {} O 0.0 {0.0110502 0.0925559 0.0839464} O54 82 0.0 -1 8 {} O 0.0 {0.0113075 0.0615179 0.259745} O55 83 0.0 -1 8 {} O 0.0 {0.00120331 0.062474 0.266126} O56 84 0.0 -1 14 {} Si 0.0 {0.0063167 0.0622182 0.307395} Si29 85 0.0 -1 14 {} Si 0.0 {0.0165079 0.0630371 0.562764} Si30 86 0.0 -1 14 {} Si 0.0 {0.00587427 0.087743 0.382479} Si31 87 0.0 -1 14 {} Si 0.0 {0.0160728 0.0875422 0.468276} Si32 88 0.0 -1 8 {} O 0.0 {0.00581855 0.0508965 0.356112} O57 89 0.0 -1 8 {} O 0.0 {0.0160942 0.0761231 0.519304} O58 90 0.0 -1 8 {} O 0.0 {0.007305 0.0760288 0.338666} O59 91 0.0 -1 8 {} O 0.0 {0.0161905 0.0989408 0.520768} O60 92 0.0 -1 8 {} O 0.0 {0.0212959 0.0897623 0.428856} O61 93 0.0 -1 8 {} O 0.0 {0.0107066 0.0885987 0.430896} O62 94 0.0 -1 8 {} O 0.0 {0.0123576 0.0639646 0.615006} O63 95 0.0 -1 8 {} O 0.0 {0.0026592 0.0622875 0.585609} O64 96 0.0 -1 14 {} Si 0.0 {0.00669716 0.0625838 0.645108} Si33 97 0.0 -1 14 {} Si 0.0 {0.0160093 0.0663635 0.884569} Si34 98 0.0 -1 14 {} Si 0.0 {0.00542384 0.089038 0.716335} Si35 99 0.0 -1 14 {} Si 0.0 {0.0162409 0.089538 0.787967} Si36 100 0.0 -1 8 {} O 0.0 {0.00653831 0.0500752 0.68744} O65 101 0.0 -1 8 {} O 0.0 {0.0156893 0.0795089 0.848876} O66 102 0.0 -1 8 {} O 0.0 {0.00486678 0.0754014 0.683679} O67 103 0.0 -1 8 {} O 0.0 {0.0169781 0.102996 0.816807} O68 104 0.0 -1 8 {} O 0.0 {0.0217793 0.0875476 0.75511} O69 105 0.0 -1 8 {} O 0.0 {0.0111658 0.0896794 0.743616} O70 106 0.0 -1 8 {} O 0.0 {0.0115709 0.0659124 0.936384} O71 107 0.0 -1 8 {} O 0.0 {0.00197489 0.0637191 0.922502} O72 108 0.0 -1 14 {} Si 0.0 {0.0270779 0.967082 0.956169} Si37 109 0.0 -1 14 {} Si 0.0 {0.0372471 0.960907 0.216988} Si38 110 0.0 -1 14 {} Si 0.0 {0.0269605 0.990228 0.0556246} Si39 111 0.0 -1 14 {} Si 0.0 {0.0367104 0.98659 0.14468} Si40 112 0.0 -1 8 {} O 0.0 {0.0265642 0.957126 0.0108016} O73 113 0.0 -1 8 {} O 0.0 {0.037341 0.975415 0.194574} O74 114 0.0 -1 8 {} O 0.0 {0.0267349 0.979631 0.998337} O75 115 0.0 -1 8 {} O 0.0 {0.0364685 0.999345 0.186798} O76 116 0.0 -1 8 {} O 0.0 {0.040902 0.983382 0.0917386} O77 117 0.0 -1 8 {} O 0.0 {0.0311762 0.985484 0.106786} O78 118 0.0 -1 8 {} O 0.0 {0.032107 0.957763 0.258565} O79 119 0.0 -1 8 {} O 0.0 {0.0220231 0.959775 0.24475} O80 120 0.0 -1 14 {} Si 0.0 {0.026536 0.962016 0.292771} Si41 121 0.0 -1 14 {} Si 0.0 {0.035575 0.964933 0.564385} Si42 122 0.0 -1 14 {} Si 0.0 {0.0273004 0.986388 0.382775} Si43 123 0.0 -1 14 {} Si 0.0 {0.0363 0.988572 0.479578} Si44 124 0.0 -1 8 {} O 0.0 {0.0266612 0.94967 0.341405} O81 125 0.0 -1 8 {} O 0.0 {0.0351676 0.978814 0.533659} O82 126 0.0 -1 8 {} O 0.0 {0.0271063 0.97623 0.326585} O83 127 0.0 -1 8 {} O 0.0 {0.0349561 0.00250184 0.507781} O84 128 0.0 -1 8 {} O 0.0 {0.0419778 0.988999 0.444998} O85 129 0.0 -1 8 {} O 0.0 {0.0322459 0.984423 0.425535} O86 130 0.0 -1 8 {} O 0.0 {0.0316246 0.963507 0.62165} O87 131 0.0 -1 8 {} O 0.0 {0.0216353 0.959698 0.604978} O88 132 0.0 -1 14 {} Si 0.0 {0.0259641 0.96518 0.652539} Si45 133 0.0 -1 14 {} Si 0.0 {0.0372132 0.962085 0.872288} Si46 134 0.0 -1 14 {} Si 0.0 {0.0265374 0.991542 0.720289} Si47 135 0.0 -1 14 {} Si 0.0 {0.0366918 0.987956 0.795148} Si48 136 0.0 -1 8 {} O 0.0 {0.0259743 0.956695 0.718425} O89 137 0.0 -1 8 {} O 0.0 {0.0375611 0.975434 0.83637} O90 138 0.0 -1 8 {} O 0.0 {0.0248609 0.979011 0.677994} O91 139 0.0 -1 8 {} O 0.0 {0.0362655 0.000522232 0.841742} O92 140 0.0 -1 8 {} O 0.0 {0.0415991 0.991332 0.753526} O93 141 0.0 -1 8 {} O 0.0 {0.0311413 0.986667 0.762629} O94 142 0.0 -1 8 {} O 0.0 {0.0327826 0.964126 0.92387} O95 143 0.0 -1 8 {} O 0.0 {0.0228317 0.963248 0.906948} O96 144 0.0 -1 14 {} Si 0.0 {0.0272612 0.0150929 0.975941} Si49 145 0.0 -1 14 {} Si 0.0 {0.0367419 0.0133145 0.219592} Si50 146 0.0 -1 14 {} Si 0.0 {0.0262082 0.0405701 0.0498942} Si51 147 0.0 -1 14 {} Si 0.0 {0.0362326 0.0387958 0.14432} Si52 148 0.0 -1 8 {} O 0.0 {0.0280918 0.00430699 0.0277565} O97 149 0.0 -1 8 {} O 0.0 {0.0359979 0.0244829 0.172021} O98 150 0.0 -1 8 {} O 0.0 {0.0275304 0.0291402 0.00172913} O99 151 0.0 -1 8 {} O 0.0 {0.0357252 0.0506681 0.189925} O100 152 0.0 -1 8 {} O 0.0 {0.0409767 0.0404322 0.0956849} O101 153 0.0 -1 8 {} O 0.0 {0.0312705 0.0407167 0.0980285} O102 154 0.0 -1 8 {} O 0.0 {0.0327799 0.0149904 0.275852} O103 155 0.0 -1 8 {} O 0.0 {0.0228141 0.0126301 0.252127} O104 156 0.0 -1 14 {} Si 0.0 {0.0272112 0.0129042 0.305922} Si53 157 0.0 -1 14 {} Si 0.0 {0.036927 0.0151013 0.542424} Si54 158 0.0 -1 14 {} Si 0.0 {0.0259294 0.0382864 0.38678} Si55 159 0.0 -1 14 {} Si 0.0 {0.0363718 0.0406991 0.456935} Si56 160 0.0 -1 8 {} O 0.0 {0.0272614 0.999906 0.34926} O105 161 0.0 -1 8 {} O 0.0 {0.0365748 0.0278244 0.497501} O106 162 0.0 -1 8 {} O 0.0 {0.0254072 0.0245843 0.351297} O107 163 0.0 -1 8 {} O 0.0 {0.0358751 0.0518573 0.509883} O108 164 0.0 -1 8 {} O 0.0 {0.0421574 0.0429994 0.424563} O109 165 0.0 -1 8 {} O 0.0 {0.0317232 0.0404398 0.408082} O110 166 0.0 -1 8 {} O 0.0 {0.032657 0.0175434 0.593789} O111 167 0.0 -1 8 {} O 0.0 {0.0229939 0.0130896 0.588221} O112 168 0.0 -1 14 {} Si 0.0 {0.0274215 0.0173126 0.639804} Si57 169 0.0 -1 14 {} Si 0.0 {0.0369942 0.0138687 0.881485} Si58 170 0.0 -1 14 {} Si 0.0 {0.0264167 0.04133 0.724857} Si59 171 0.0 -1 14 {} Si 0.0 {0.0367895 0.0395759 0.804952} Si60 172 0.0 -1 8 {} O 0.0 {0.027443 0.00522351 0.689023} O113 173 0.0 -1 8 {} O 0.0 {0.0363421 0.0250027 0.830164} O114 174 0.0 -1 8 {} O 0.0 {0.0263023 0.0304303 0.673786} O115 175 0.0 -1 8 {} O 0.0 {0.0373224 0.0497222 0.862754} O116 176 0.0 -1 8 {} O 0.0 {0.0417148 0.0419347 0.763431} O117 177 0.0 -1 8 {} O 0.0 {0.0317669 0.0415674 0.762583} O118 178 0.0 -1 8 {} O 0.0 {0.0322084 0.0144118 0.932384} O119 179 0.0 -1 8 {} O 0.0 {0.0217983 0.0136853 0.939835} O120 180 0.0 -1 14 {} Si 0.0 {0.0259062 0.0661882 0.969538} Si61 181 0.0 -1 14 {} Si 0.0 {0.0362745 0.0641191 0.222962} Si62 182 0.0 -1 14 {} Si 0.0 {0.0261081 0.0915061 0.0456471} Si63 183 0.0 -1 14 {} Si 0.0 {0.0365444 0.0879394 0.124426} Si64 184 0.0 -1 8 {} O 0.0 {0.0251014 0.0553927 0.0254974} O121 185 0.0 -1 8 {} O 0.0 {0.0362582 0.0765209 0.175952} O122 186 0.0 -1 8 {} O 0.0 {0.0256504 0.0807656 0.992058} O123 187 0.0 -1 8 {} O 0.0 {0.0364974 0.101504 0.159368} O124 188 0.0 -1 8 {} O 0.0 {0.0424123 0.0901836 0.0974404} O125 189 0.0 -1 8 {} O 0.0 {0.0315328 0.0891141 0.0807851} O126 190 0.0 -1 8 {} O 0.0 {0.0314766 0.0662088 0.269584} O127 191 0.0 -1 8 {} O 0.0 {0.0211469 0.068211 0.255498} O128 192 0.0 -1 14 {} Si 0.0 {0.0257843 0.0638885 0.301797} Si65 193 0.0 -1 14 {} Si 0.0 {0.0365508 0.0644692 0.549816} Si66 194 0.0 -1 14 {} Si 0.0 {0.0258587 0.0896644 0.375564} Si67 195 0.0 -1 14 {} Si 0.0 {0.035743 0.0901954 0.466735} Si68 196 0.0 -1 8 {} O 0.0 {0.0251792 0.0497868 0.334602} O129 197 0.0 -1 8 {} O 0.0 {0.0352633 0.0777131 0.511976} O130 198 0.0 -1 8 {} O 0.0 {0.0264032 0.0747138 0.355509} O131 199 0.0 -1 8 {} O 0.0 {0.0350194 0.101504 0.516202} O132 200 0.0 -1 8 {} O 0.0 {0.0410671 0.0885861 0.426468} O133 201 0.0 -1 8 {} O 0.0 {0.0311947 0.0920503 0.412231} O134 202 0.0 -1 8 {} O 0.0 {0.0319865 0.0628667 0.60185} O135 203 0.0 -1 8 {} O 0.0 {0.0221791 0.0624375 0.591059} O136 204 0.0 -1 14 {} Si 0.0 {0.026803 0.0655407 0.639005} Si69 205 0.0 -1 14 {} Si 0.0 {0.036655 0.0640998 0.895651} Si70 206 0.0 -1 14 {} Si 0.0 {0.026746 0.0911498 0.710153} Si71 207 0.0 -1 14 {} Si 0.0 {0.0365131 0.0860796 0.795038} Si72 208 0.0 -1 8 {} O 0.0 {0.0261492 0.0558796 0.696275} O137 209 0.0 -1 8 {} O 0.0 {0.0367552 0.073089 0.836416} O138 210 0.0 -1 8 {} O 0.0 {0.0271141 0.0805518 0.657257} O139 211 0.0 -1 8 {} O 0.0 {0.036463 0.0982321 0.840977} O140 212 0.0 -1 8 {} O 0.0 {0.0422984 0.0893883 0.765393} O141 213 0.0 -1 8 {} O 0.0 {0.0318256 0.0898209 0.749359} O142 214 0.0 -1 8 {} O 0.0 {0.0314979 0.0653862 0.934674} O143 215 0.0 -1 8 {} O 0.0 {0.0213574 0.0655872 0.916085} O144 216 0.0 -1 14 {} Si 0.0 {0.0474074 0.965647 0.954041} Si73 217 0.0 -1 14 {} Si 0.0 {0.0562059 0.963398 0.214292} Si74 218 0.0 -1 14 {} Si 0.0 {0.0459136 0.988322 0.0537668} Si75 219 0.0 -1 14 {} Si 0.0 {0.0564117 0.988304 0.131182} Si76 220 0.0 -1 8 {} O 0.0 {0.04792 0.954669 0.00563108} O145 221 0.0 -1 8 {} O 0.0 {0.0574286 0.974285 0.16028} O146 222 0.0 -1 8 {} O 0.0 {0.047436 0.977534 0.999593} O147 223 0.0 -1 8 {} O 0.0 {0.0570239 0.999733 0.183722} O148 224 0.0 -1 8 {} O 0.0 {0.0613748 0.989201 0.0847798} O149 225 0.0 -1 8 {} O 0.0 {0.0506713 0.988474 0.101795} O150 226 0.0 -1 8 {} O 0.0 {0.0516035 0.967828 0.257966} O151 227 0.0 -1 8 {} O 0.0 {0.0421542 0.959026 0.262134} O152 228 0.0 -1 14 {} Si 0.0 {0.0467948 0.964104 0.30468} Si77 229 0.0 -1 14 {} Si 0.0 {0.0561858 0.964724 0.540162} Si78 230 0.0 -1 14 {} Si 0.0 {0.0462115 0.989091 0.39321} Si79 231 0.0 -1 14 {} Si 0.0 {0.05644 0.991237 0.474367} Si80 232 0.0 -1 8 {} O 0.0 {0.0493738 0.953475 0.351334} O153 233 0.0 -1 8 {} O 0.0 {0.0560651 0.980276 0.524579} O154 234 0.0 -1 8 {} O 0.0 {0.0451945 0.976025 0.354237} O155 235 0.0 -1 8 {} O 0.0 {0.0562179 0.00499205 0.507184} O156 236 0.0 -1 8 {} O 0.0 {0.0616138 0.988924 0.434939} O157 237 0.0 -1 8 {} O 0.0 {0.0518151 0.987763 0.427149} O158 238 0.0 -1 8 {} O 0.0 {0.051547 0.962604 0.589321} O159 239 0.0 -1 8 {} O 0.0 {0.0414154 0.963374 0.58833} O160 240 0.0 -1 14 {} Si 0.0 {0.0466808 0.966516 0.632024} Si81 241 0.0 -1 14 {} Si 0.0 {0.0574795 0.96331 0.869281} Si82 242 0.0 -1 14 {} Si 0.0 {0.0466393 0.99245 0.706106} Si83 243 0.0 -1 14 {} Si 0.0 {0.056547 0.988925 0.794834} Si84 244 0.0 -1 8 {} O 0.0 {0.0467175 0.956114 0.680915} O161 245 0.0 -1 8 {} O 0.0 {0.0560861 0.975095 0.823463} O162 246 0.0 -1 8 {} O 0.0 {0.0462034 0.981294 0.657105} O163 247 0.0 -1 8 {} O 0.0 {0.0556793 0.000247478 0.84417} O164 248 0.0 -1 8 {} O 0.0 {0.0615673 0.990263 0.749462} O165 249 0.0 -1 8 {} O 0.0 {0.0515946 0.989509 0.74754} O166 250 0.0 -1 8 {} O 0.0 {0.0523945 0.961204 0.911086} O167 251 0.0 -1 8 {} O 0.0 {0.0423831 0.962007 0.910146} O168 252 0.0 -1 14 {} Si 0.0 {0.0465668 0.0132947 0.967165} Si85 253 0.0 -1 14 {} Si 0.0 {0.0568364 0.012757 0.229313} Si86 254 0.0 -1 14 {} Si 0.0 {0.0464078 0.0383995 0.0498304} Si87 255 0.0 -1 14 {} Si 0.0 {0.0559184 0.0382368 0.14038} Si88 256 0.0 -1 8 {} O 0.0 {0.0454773 0.00202101 0.0180832} O169 257 0.0 -1 8 {} O 0.0 {0.0560079 0.025917 0.186955} O170 258 0.0 -1 8 {} O 0.0 {0.0458141 0.0275546 0.99762} O171 259 0.0 -1 8 {} O 0.0 {0.0546464 0.05218 0.170719} O172 260 0.0 -1 8 {} O 0.0 {0.0609719 0.0389941 0.0908156} O173 261 0.0 -1 8 {} O 0.0 {0.0510759 0.034193 0.0955177} O174 262 0.0 -1 8 {} O 0.0 {0.0523452 0.0123228 0.279314} O175 263 0.0 -1 8 {} O 0.0 {0.0424596 0.0143913 0.25062} O176 264 0.0 -1 14 {} Si 0.0 {0.0466475 0.0133604 0.305087} Si89 265 0.0 -1 14 {} Si 0.0 {0.057121 0.0177354 0.549803} Si90 266 0.0 -1 14 {} Si 0.0 {0.0470106 0.0393151 0.385579} Si91 267 0.0 -1 14 {} Si 0.0 {0.057374 0.0431409 0.470675} Si92 268 0.0 -1 8 {} O 0.0 {0.0452826 0.000312187 0.34105} O177 269 0.0 -1 8 {} O 0.0 {0.058184 0.0300027 0.508867} O178 270 0.0 -1 8 {} O 0.0 {0.0464674 0.0251069 0.353687} O179 271 0.0 -1 8 {} O 0.0 {0.0573798 0.0551019 0.514174} O180 272 0.0 -1 8 {} O 0.0 {0.0619171 0.047337 0.423056} O181 273 0.0 -1 8 {} O 0.0 {0.0522147 0.0418133 0.423391} O182 274 0.0 -1 8 {} O 0.0 {0.0522235 0.0195115 0.596768} O183 275 0.0 -1 8 {} O 0.0 {0.0424496 0.0145368 0.574671} O184 276 0.0 -1 14 {} Si 0.0 {0.0464062 0.017996 0.630138} Si93 277 0.0 -1 14 {} Si 0.0 {0.0567063 0.0123168 0.89152} Si94 278 0.0 -1 14 {} Si 0.0 {0.0465049 0.0417331 0.715142} Si95 279 0.0 -1 14 {} Si 0.0 {0.0554368 0.037729 0.807983} Si96 280 0.0 -1 8 {} O 0.0 {0.0464128 0.006618 0.677755} O185 281 0.0 -1 8 {} O 0.0 {0.0558737 0.0252186 0.851856} O186 282 0.0 -1 8 {} O 0.0 {0.0450359 0.0321038 0.656507} O187 283 0.0 -1 8 {} O 0.0 {0.0539928 0.0510859 0.839976} O188 284 0.0 -1 8 {} O 0.0 {0.0609523 0.0403236 0.775588} O189 285 0.0 -1 8 {} O 0.0 {0.0514566 0.0367648 0.752355} O190 286 0.0 -1 8 {} O 0.0 {0.0525421 0.0122519 0.94415} O191 287 0.0 -1 8 {} O 0.0 {0.0424946 0.0127552 0.911632} O192 288 0.0 -1 14 {} Si 0.0 {0.0466693 0.0654208 0.97622} Si97 289 0.0 -1 14 {} Si 0.0 {0.0560222 0.064557 0.209609} Si98 290 0.0 -1 14 {} Si 0.0 {0.0476336 0.090221 0.0563065} Si99 291 0.0 -1 14 {} Si 0.0 {0.0584678 0.0891731 0.127398} Si100 292 0.0 -1 8 {} O 0.0 {0.0468906 0.0522847 0.0161422} O193 293 0.0 -1 8 {} O 0.0 {0.0579061 0.0767369 0.171206} O194 294 0.0 -1 8 {} O 0.0 {0.0482671 0.0764248 0.0270229} O195 295 0.0 -1 8 {} O 0.0 {0.0621683 0.0991046 0.164562} O196 296 0.0 -1 8 {} O 0.0 {0.0616155 0.0889027 0.0617556} O197 297 0.0 -1 8 {} O 0.0 {0.0525183 0.0934264 0.0999854} O198 298 0.0 -1 8 {} O 0.0 {0.051187 0.0679246 0.253279} O199 299 0.0 -1 8 {} O 0.0 {0.0415207 0.0655964 0.263357} O200 300 0.0 -1 14 {} Si 0.0 {0.0467156 0.0639824 0.304358} Si101 301 0.0 -1 14 {} Si 0.0 {0.0573716 0.067901 0.558873} Si102 302 0.0 -1 14 {} Si 0.0 {0.0460851 0.0889325 0.382888} Si103 303 0.0 -1 14 {} Si 0.0 {0.0568969 0.0904455 0.456644} Si104 304 0.0 -1 8 {} O 0.0 {0.0474402 0.0492771 0.330054} O201 305 0.0 -1 8 {} O 0.0 {0.0577752 0.0801927 0.509947} O202 306 0.0 -1 8 {} O 0.0 {0.0467402 0.0746856 0.35877} O203 307 0.0 -1 8 {} O 0.0 {0.0563406 0.102978 0.498651} O204 308 0.0 -1 8 {} O 0.0 {0.0615694 0.0938612 0.408971} O205 309 0.0 -1 8 {} O 0.0 {0.0513935 0.0907263 0.422933} O206 310 0.0 -1 8 {} O 0.0 {0.0516518 0.0682067 0.59077} O207 311 0.0 -1 8 {} O 0.0 {0.0420486 0.0633367 0.583746} O208 312 0.0 -1 14 {} Si 0.0 {0.0464516 0.0671863 0.631609} Si105 313 0.0 -1 14 {} Si 0.0 {0.055903 0.0635778 0.878583} Si106 314 0.0 -1 14 {} Si 0.0 {0.0463031 0.0919804 0.711256} Si107 315 0.0 -1 14 {} Si 0.0 {0.0565021 0.0882613 0.790036} Si108 316 0.0 -1 8 {} O 0.0 {0.0472347 0.0554851 0.682559} O209 317 0.0 -1 8 {} O 0.0 {0.0564951 0.0760319 0.834264} O210 318 0.0 -1 8 {} O 0.0 {0.0450806 0.0813079 0.660502} O211 319 0.0 -1 8 {} O 0.0 {0.0555607 0.098977 0.837691} O212 320 0.0 -1 8 {} O 0.0 {0.0618111 0.0927854 0.756905} O213 321 0.0 -1 8 {} O 0.0 {0.0521336 0.0898879 0.73408} O214 322 0.0 -1 8 {} O 0.0 {0.0517085 0.0664613 0.929404} O215 323 0.0 -1 8 {} O 0.0 {0.0412286 0.0662751 0.944671} O216 324 0.0 -1 14 {} Si 0.0 {0.0676945 0.968265 0.946951} Si109 325 0.0 -1 14 {} Si 0.0 {0.0765535 0.964165 0.233841} Si110 326 0.0 -1 14 {} Si 0.0 {0.0668027 0.990409 0.0471711} Si111 327 0.0 -1 14 {} Si 0.0 {0.0757056 0.990094 0.148211} Si112 328 0.0 -1 8 {} O 0.0 {0.0682234 0.955283 0.989489} O217 329 0.0 -1 8 {} O 0.0 {0.0759887 0.976662 0.18891} O218 330 0.0 -1 8 {} O 0.0 {0.0683185 0.980297 0.994796} O219 331 0.0 -1 8 {} O 0.0 {0.0753651 0.00217611 0.194695} O220 332 0.0 -1 8 {} O 0.0 {0.081287 0.990501 0.115415} O221 333 0.0 -1 8 {} O 0.0 {0.0708184 0.990577 0.101755} O222 334 0.0 -1 8 {} O 0.0 {0.0717826 0.964871 0.282383} O223 335 0.0 -1 8 {} O 0.0 {0.0618738 0.961178 0.250552} O224 336 0.0 -1 14 {} Si 0.0 {0.0657065 0.966649 0.30203} Si113 337 0.0 -1 14 {} Si 0.0 {0.0774139 0.965597 0.551893} Si114 338 0.0 -1 14 {} Si 0.0 {0.0664303 0.990578 0.387369} Si115 339 0.0 -1 14 {} Si 0.0 {0.0765632 0.990757 0.464381} Si116 340 0.0 -1 8 {} O 0.0 {0.0655314 0.957591 0.363618} O225 341 0.0 -1 8 {} O 0.0 {0.0770809 0.979743 0.516242} O226 342 0.0 -1 8 {} O 0.0 {0.0653954 0.981782 0.327447} O227 343 0.0 -1 8 {} O 0.0 {0.0745301 0.00344293 0.504765} O228 344 0.0 -1 8 {} O 0.0 {0.0819448 0.994195 0.433715} O229 345 0.0 -1 8 {} O 0.0 {0.0720218 0.987613 0.416319} O230 346 0.0 -1 8 {} O 0.0 {0.0721917 0.961664 0.586694} O231 347 0.0 -1 8 {} O 0.0 {0.0618598 0.962487 0.571297} O232 348 0.0 -1 14 {} Si 0.0 {0.0666256 0.965605 0.618877} Si117 349 0.0 -1 14 {} Si 0.0 {0.0777795 0.963256 0.868344} Si118 350 0.0 -1 14 {} Si 0.0 {0.0668416 0.989989 0.713792} Si119 351 0.0 -1 14 {} Si 0.0 {0.0776761 0.988018 0.786852} Si120 352 0.0 -1 8 {} O 0.0 {0.065188 0.957607 0.676627} O233 353 0.0 -1 8 {} O 0.0 {0.0789858 0.976373 0.834101} O234 354 0.0 -1 8 {} O 0.0 {0.0669915 0.979291 0.656777} O235 355 0.0 -1 8 {} O 0.0 {0.0770751 0.000779943 0.829446} O236 356 0.0 -1 8 {} O 0.0 {0.0822818 0.987694 0.736917} O237 357 0.0 -1 8 {} O 0.0 {0.0720232 0.986856 0.753472} O238 358 0.0 -1 8 {} O 0.0 {0.0720153 0.964639 0.890738} O239 359 0.0 -1 8 {} O 0.0 {0.0620084 0.967109 0.914843} O240 360 0.0 -1 14 {} Si 0.0 {0.0669831 0.0157505 0.963329} Si121 361 0.0 -1 14 {} Si 0.0 {0.0761289 0.0168486 0.226808} Si122 362 0.0 -1 14 {} Si 0.0 {0.066109 0.0397696 0.0478805} Si123 363 0.0 -1 14 {} Si 0.0 {0.0757473 0.041109 0.140198} Si124 364 0.0 -1 8 {} O 0.0 {0.0671154 0.00373558 0.0117754} O241 365 0.0 -1 8 {} O 0.0 {0.0740869 0.0294177 0.189639} O242 366 0.0 -1 8 {} O 0.0 {0.0656235 0.0286091 0.99752} O243 367 0.0 -1 8 {} O 0.0 {0.075952 0.0539824 0.177493} O244 368 0.0 -1 8 {} O 0.0 {0.0810143 0.0380195 0.10966} O245 369 0.0 -1 8 {} O 0.0 {0.0713207 0.039278 0.0879364} O246 370 0.0 -1 8 {} O 0.0 {0.072449 0.0175126 0.287202} O247 371 0.0 -1 8 {} O 0.0 {0.0624906 0.0140406 0.256362} O248 372 0.0 -1 14 {} Si 0.0 {0.066585 0.0166499 0.310354} Si125 373 0.0 -1 14 {} Si 0.0 {0.0760436 0.0151106 0.550861} Si126 374 0.0 -1 14 {} Si 0.0 {0.0669187 0.0416763 0.384365} Si127 375 0.0 -1 14 {} Si 0.0 {0.077268 0.041168 0.46895} Si128 376 0.0 -1 8 {} O 0.0 {0.0661295 0.0060812 0.363426} O249 377 0.0 -1 8 {} O 0.0 {0.077127 0.0282224 0.50824} O250 378 0.0 -1 8 {} O 0.0 {0.0648576 0.0290528 0.350598} O251 379 0.0 -1 8 {} O 0.0 {0.0769279 0.052813 0.519784} O252 380 0.0 -1 8 {} O 0.0 {0.0824471 0.0433874 0.429025} O253 381 0.0 -1 8 {} O 0.0 {0.0722947 0.0405512 0.420315} O254 382 0.0 -1 8 {} O 0.0 {0.0714868 0.0195576 0.592582} O255 383 0.0 -1 8 {} O 0.0 {0.0616216 0.0137111 0.594379} O256 384 0.0 -1 14 {} Si 0.0 {0.0667427 0.0162902 0.640533} Si129 385 0.0 -1 14 {} Si 0.0 {0.0773524 0.0129285 0.877365} Si130 386 0.0 -1 14 {} Si 0.0 {0.0656898 0.0401346 0.729312} Si131 387 0.0 -1 14 {} Si 0.0 {0.0766276 0.037733 0.78961} Si132 388 0.0 -1 8 {} O 0.0 {0.067674 0.00412237 0.683363} O257 389 0.0 -1 8 {} O 0.0 {0.0778321 0.0252613 0.833881} O258 390 0.0 -1 8 {} O 0.0 {0.0649213 0.0296652 0.676555} O259 391 0.0 -1 8 {} O 0.0 {0.0769648 0.0505933 0.830062} O260 392 0.0 -1 8 {} O 0.0 {0.080944 0.037897 0.734515} O261 393 0.0 -1 8 {} O 0.0 {0.0709844 0.0360661 0.760492} O262 394 0.0 -1 8 {} O 0.0 {0.0721162 0.014762 0.919236} O263 395 0.0 -1 8 {} O 0.0 {0.0625853 0.0128647 0.910242} O264 396 0.0 -1 14 {} Si 0.0 {0.0664238 0.0630897 0.958003} Si133 397 0.0 -1 14 {} Si 0.0 {0.0759534 0.0689449 0.204744} Si134 398 0.0 -1 14 {} Si 0.0 {0.0663243 0.0906102 0.014223} Si135 399 0.0 -1 14 {} Si 0.0 {0.0754623 0.0916972 0.10992} Si136 400 0.0 -1 8 {} O 0.0 {0.0651658 0.0541086 0.0164112} O265 401 0.0 -1 8 {} O 0.0 {0.0764761 0.0781091 0.143418} O266 402 0.0 -1 8 {} O 0.0 {0.0662067 0.0787268 0.967227} O267 403 0.0 -1 8 {} O 0.0 {0.0724023 0.100584 0.158586} O268 404 0.0 -1 8 {} O 0.0 {0.0808103 0.0957264 0.0704043} O269 405 0.0 -1 8 {} O 0.0 {0.0715311 0.0886958 0.053183} O270 406 0.0 -1 8 {} O 0.0 {0.0706355 0.0711298 0.244314} O271 407 0.0 -1 8 {} O 0.0 {0.0607019 0.0633694 0.260414} O272 408 0.0 -1 14 {} Si 0.0 {0.0663864 0.0659763 0.294078} Si137 409 0.0 -1 14 {} Si 0.0 {0.076111 0.0663748 0.557775} Si138 410 0.0 -1 14 {} Si 0.0 {0.0666364 0.0920723 0.366143} Si139 411 0.0 -1 14 {} Si 0.0 {0.0762026 0.089158 0.458478} Si140 412 0.0 -1 8 {} O 0.0 {0.0677141 0.0530481 0.334625} O273 413 0.0 -1 8 {} O 0.0 {0.0760151 0.0766047 0.502522} O274 414 0.0 -1 8 {} O 0.0 {0.0660979 0.0773032 0.346854} O275 415 0.0 -1 8 {} O 0.0 {0.0758707 0.101291 0.501985} O276 416 0.0 -1 8 {} O 0.0 {0.0811186 0.0916651 0.412215} O277 417 0.0 -1 8 {} O 0.0 {0.07125 0.0941077 0.413886} O278 418 0.0 -1 8 {} O 0.0 {0.0707737 0.063807 0.597568} O279 419 0.0 -1 8 {} O 0.0 {0.0608887 0.0679942 0.618405} O280 420 0.0 -1 14 {} Si 0.0 {0.0665435 0.0665557 0.651646} Si141 421 0.0 -1 14 {} Si 0.0 {0.0770069 0.0612946 0.883053} Si142 422 0.0 -1 14 {} Si 0.0 {0.0674493 0.0918526 0.727429} Si143 423 0.0 -1 14 {} Si 0.0 {0.0772167 0.0880178 0.815397} Si144 424 0.0 -1 8 {} O 0.0 {0.0664992 0.0537683 0.696956} O281 425 0.0 -1 8 {} O 0.0 {0.0767764 0.0760234 0.86342} O282 426 0.0 -1 8 {} O 0.0 {0.0681113 0.0789759 0.691631} O283 427 0.0 -1 8 {} O 0.0 {0.0794561 0.100299 0.855084} O284 428 0.0 -1 8 {} O 0.0 {0.0824477 0.0860557 0.769798} O285 429 0.0 -1 8 {} O 0.0 {0.0722006 0.0922535 0.776475} O286 430 0.0 -1 8 {} O 0.0 {0.0720742 0.0591768 0.925975} O287 431 0.0 -1 8 {} O 0.0 {0.0614465 0.0604801 0.913669} O288 432 0.0 -1 14 {} Si 0.0 {0.086038 0.964519 0.975176} Si145 433 0.0 -1 14 {} Si 0.0 {0.0974808 0.965225 0.222299} Si146 434 0.0 -1 14 {} Si 0.0 {0.085696 0.989045 0.0669502} Si147 435 0.0 -1 14 {} Si 0.0 {0.0970715 0.987956 0.128671} Si148 436 0.0 -1 8 {} O 0.0 {0.085842 0.951323 0.014969} O289 437 0.0 -1 8 {} O 0.0 {0.0979204 0.974805 0.164691} O290 438 0.0 -1 8 {} O 0.0 {0.0852331 0.974848 0.0310789} O291 439 0.0 -1 8 {} O 0.0 {0.0972468 0.999374 0.178713} O292 440 0.0 -1 8 {} O 0.0 {0.10169 0.989517 0.0792925} O293 441 0.0 -1 8 {} O 0.0 {0.0915849 0.989218 0.0967693} O294 442 0.0 -1 8 {} O 0.0 {0.0926393 0.969557 0.261725} O295 443 0.0 -1 8 {} O 0.0 {0.0824895 0.962767 0.261755} O296 444 0.0 -1 14 {} Si 0.0 {0.0872886 0.967672 0.303438} Si149 445 0.0 -1 14 {} Si 0.0 {0.0968485 0.968358 0.501196} Si150 446 0.0 -1 14 {} Si 0.0 {0.0860993 0.993953 0.37932} Si151 447 0.0 -1 14 {} Si 0.0 {0.0969288 0.996482 0.449295} Si152 448 0.0 -1 8 {} O 0.0 {0.0896325 0.955986 0.348884} O297 449 0.0 -1 8 {} O 0.0 {0.095952 0.984315 0.491884} O298 450 0.0 -1 8 {} O 0.0 {0.0855481 0.979975 0.347347} O299 451 0.0 -1 8 {} O 0.0 {0.0978027 0.0092412 0.490077} O300 452 0.0 -1 8 {} O 0.0 {0.102134 0.993274 0.407957} O301 453 0.0 -1 8 {} O 0.0 {0.091754 0.996621 0.402364} O302 454 0.0 -1 8 {} O 0.0 {0.0917718 0.965991 0.544112} O303 455 0.0 -1 8 {} O 0.0 {0.0824915 0.967001 0.59303} O304 456 0.0 -1 14 {} Si 0.0 {0.0884937 0.968028 0.607234} Si153 457 0.0 -1 14 {} Si 0.0 {0.0965658 0.964935 0.896111} Si154 458 0.0 -1 14 {} Si 0.0 {0.0878772 0.991159 0.705972} Si155 459 0.0 -1 14 {} Si 0.0 {0.0966461 0.990004 0.807472} Si156 460 0.0 -1 8 {} O 0.0 {0.0912093 0.957744 0.652168} O305 461 0.0 -1 8 {} O 0.0 {0.0967296 0.97517 0.838676} O306 462 0.0 -1 8 {} O 0.0 {0.0894478 0.981141 0.652748} O307 463 0.0 -1 8 {} O 0.0 {0.0963865 0.999013 0.864574} O308 464 0.0 -1 8 {} O 0.0 {0.101715 0.992889 0.767824} O309 465 0.0 -1 8 {} O 0.0 {0.0920602 0.991293 0.761301} O310 466 0.0 -1 8 {} O 0.0 {0.091391 0.965328 0.937991} O311 467 0.0 -1 8 {} O 0.0 {0.0810525 0.962585 0.928483} O312 468 0.0 -1 14 {} Si 0.0 {0.0862537 0.0128341 0.973769} Si157 469 0.0 -1 14 {} Si 0.0 {0.0971946 0.0131558 0.212546} Si158 470 0.0 -1 14 {} Si 0.0 {0.0853683 0.0370361 0.0573158} Si159 471 0.0 -1 14 {} Si 0.0 {0.0962387 0.0388941 0.131051} Si160 472 0.0 -1 8 {} O 0.0 {0.0860427 0.000723888 0.0192349} O313 473 0.0 -1 8 {} O 0.0 {0.0968795 0.0246141 0.167313} O314 474 0.0 -1 8 {} O 0.0 {0.0842143 0.0246986 0.0159056} O315 475 0.0 -1 8 {} O 0.0 {0.094921 0.0509041 0.176082} O316 476 0.0 -1 8 {} O 0.0 {0.10132 0.0414355 0.0925095} O317 477 0.0 -1 8 {} O 0.0 {0.0911144 0.0363266 0.0934736} O318 478 0.0 -1 8 {} O 0.0 {0.0921484 0.0129623 0.25631} O319 479 0.0 -1 8 {} O 0.0 {0.0823993 0.0199813 0.240283} O320 480 0.0 -1 14 {} Si 0.0 {0.0869358 0.0175263 0.288081} Si161 481 0.0 -1 14 {} Si 0.0 {0.0965299 0.0202675 0.542164} Si162 482 0.0 -1 14 {} Si 0.0 {0.0866092 0.0433091 0.375664} Si163 483 0.0 -1 14 {} Si 0.0 {0.0968343 0.0452342 0.450795} Si164 484 0.0 -1 8 {} O 0.0 {0.0852165 0.00522814 0.330458} O321 485 0.0 -1 8 {} O 0.0 {0.0954418 0.0332532 0.501319} O322 486 0.0 -1 8 {} O 0.0 {0.086845 0.0298977 0.33514} O323 487 0.0 -1 8 {} O 0.0 {0.0975539 0.0569782 0.49798} O324 488 0.0 -1 8 {} O 0.0 {0.102602 0.0416835 0.426119} O325 489 0.0 -1 8 {} O 0.0 {0.0921366 0.0467117 0.404807} O326 490 0.0 -1 8 {} O 0.0 {0.0907364 0.0174208 0.568535} O327 491 0.0 -1 8 {} O 0.0 {0.0809241 0.0135398 0.597406} O328 492 0.0 -1 14 {} Si 0.0 {0.0866727 0.0166723 0.62365} Si165 493 0.0 -1 14 {} Si 0.0 {0.0966123 0.0138379 0.892857} Si166 494 0.0 -1 14 {} Si 0.0 {0.0866723 0.0420602 0.713478} Si167 495 0.0 -1 14 {} Si 0.0 {0.0960923 0.0377885 0.80809} Si168 496 0.0 -1 8 {} O 0.0 {0.087297 0.00580439 0.677937} O329 497 0.0 -1 8 {} O 0.0 {0.0959785 0.0234807 0.838242} O330 498 0.0 -1 8 {} O 0.0 {0.0877913 0.0306647 0.667118} O331 499 0.0 -1 8 {} O 0.0 {0.0966118 0.0476987 0.864403} O332 500 0.0 -1 8 {} O 0.0 {0.101623 0.038613 0.772661} O333 501 0.0 -1 8 {} O 0.0 {0.0912795 0.0414568 0.763604} O334 502 0.0 -1 8 {} O 0.0 {0.0919468 0.0158973 0.943914} O335 503 0.0 -1 8 {} O 0.0 {0.0827789 0.0104412 0.91212} O336 504 0.0 -1 14 {} Si 0.0 {0.0865511 0.0615168 0.968748} Si169 505 0.0 -1 14 {} Si 0.0 {0.0960474 0.0652043 0.199281} Si170 506 0.0 -1 14 {} Si 0.0 {0.0852797 0.0895707 0.0224365} Si171 507 0.0 -1 14 {} Si 0.0 {0.0957827 0.088858 0.0981034} Si172 508 0.0 -1 8 {} O 0.0 {0.0859229 0.0492409 0.0154333} O337 509 0.0 -1 8 {} O 0.0 {0.0960482 0.0764304 0.146815} O338 510 0.0 -1 8 {} O 0.0 {0.085177 0.0747479 0.00957265} O339 511 0.0 -1 8 {} O 0.0 {0.0958722 0.10039 0.147851} O340 512 0.0 -1 8 {} O 0.0 {0.100692 0.0923495 0.0585336} O341 513 0.0 -1 8 {} O 0.0 {0.0908983 0.0916766 0.0539109} O342 514 0.0 -1 8 {} O 0.0 {0.0915492 0.0688371 0.244859} O343 515 0.0 -1 8 {} O 0.0 {0.0811619 0.0706311 0.246323} O344 516 0.0 -1 14 {} Si 0.0 {0.0863069 0.0684759 0.290945} Si173 517 0.0 -1 14 {} Si 0.0 {0.0970241 0.0670818 0.552741} Si174 518 0.0 -1 14 {} Si 0.0 {0.0866552 0.0918926 0.382328} Si175 519 0.0 -1 14 {} Si 0.0 {0.0962703 0.092092 0.472357} Si176 520 0.0 -1 8 {} O 0.0 {0.0853296 0.0552454 0.326517} O345 521 0.0 -1 8 {} O 0.0 {0.0973971 0.0813312 0.526527} O346 522 0.0 -1 8 {} O 0.0 {0.0872641 0.0782415 0.347037} O347 523 0.0 -1 8 {} O 0.0 {0.0979886 0.10598 0.497593} O348 524 0.0 -1 8 {} O 0.0 {0.10109 0.0902465 0.424017} O349 525 0.0 -1 8 {} O 0.0 {0.0906939 0.0922164 0.438784} O350 526 0.0 -1 8 {} O 0.0 {0.0915803 0.0651972 0.589731} O351 527 0.0 -1 8 {} O 0.0 {0.0809176 0.0685842 0.603007} O352 528 0.0 -1 14 {} Si 0.0 {0.0867228 0.0686574 0.632107} Si177 529 0.0 -1 14 {} Si 0.0 {0.0965541 0.0624467 0.891598} Si178 530 0.0 -1 14 {} Si 0.0 {0.0866844 0.0920105 0.724512} Si179 531 0.0 -1 14 {} Si 0.0 {0.0959065 0.0884404 0.816951} Si180 532 0.0 -1 8 {} O 0.0 {0.0867517 0.0556666 0.678309} O353 533 0.0 -1 8 {} O 0.0 {0.0954606 0.0742743 0.842544} O354 534 0.0 -1 8 {} O 0.0 {0.0877816 0.0813615 0.674256} O355 535 0.0 -1 8 {} O 0.0 {0.0943873 0.0970828 0.87609} O356 536 0.0 -1 8 {} O 0.0 {0.10159 0.0902749 0.786474} O357 537 0.0 -1 8 {} O 0.0 {0.0920808 0.0929571 0.76308} O358 538 0.0 -1 8 {} O 0.0 {0.0923859 0.0628175 0.945099} O359 539 0.0 -1 8 {} O 0.0 {0.0825188 0.0600999 0.914634} O360 540 0.0 -1 14 {} Si 0.0 {0.107809 0.965467 0.962298} Si181 541 0.0 -1 14 {} Si 0.0 {0.116728 0.964592 0.224547} Si182 542 0.0 -1 14 {} Si 0.0 {0.10749 0.989514 0.0503316} Si183 543 0.0 -1 14 {} Si 0.0 {0.116413 0.990126 0.149712} Si184 544 0.0 -1 8 {} O 0.0 {0.111684 0.954778 0.984863} O361 545 0.0 -1 8 {} O 0.0 {0.116615 0.978765 0.20008} O362 546 0.0 -1 8 {} O 0.0 {0.108385 0.976538 0.0137592} O363 547 0.0 -1 8 {} O 0.0 {0.116485 0.00521792 0.178193} O364 548 0.0 -1 8 {} O 0.0 {0.121629 0.988345 0.107242} O365 549 0.0 -1 8 {} O 0.0 {0.111357 0.991246 0.105426} O366 550 0.0 -1 8 {} O 0.0 {0.112126 0.961852 0.276474} O367 551 0.0 -1 8 {} O 0.0 {0.102941 0.963116 0.26312} O368 552 0.0 -1 14 {} Si 0.0 {0.107227 0.963375 0.319693} Si185 553 0.0 -1 14 {} Si 0.0 {0.115665 0.964529 0.545552} Si186 554 0.0 -1 14 {} Si 0.0 {0.107952 0.991582 0.380969} Si187 555 0.0 -1 14 {} Si 0.0 {0.116527 0.991209 0.482475} Si188 556 0.0 -1 8 {} O 0.0 {0.105153 0.953029 0.373234} O369 557 0.0 -1 8 {} O 0.0 {0.116575 0.979625 0.530442} O370 558 0.0 -1 8 {} O 0.0 {0.107466 0.977477 0.352723} O371 559 0.0 -1 8 {} O 0.0 {0.117355 0.00463963 0.519929} O372 560 0.0 -1 8 {} O 0.0 {0.121403 0.988732 0.434658} O373 561 0.0 -1 8 {} O 0.0 {0.111275 0.991985 0.443887} O374 562 0.0 -1 8 {} O 0.0 {0.110879 0.964796 0.595704} O375 563 0.0 -1 8 {} O 0.0 {0.102244 0.967721 0.544724} O376 564 0.0 -1 14 {} Si 0.0 {0.104872 0.968123 0.614388} Si189 565 0.0 -1 14 {} Si 0.0 {0.115788 0.971165 0.853603} Si190 566 0.0 -1 14 {} Si 0.0 {0.105361 0.992425 0.707771} Si191 567 0.0 -1 14 {} Si 0.0 {0.116064 0.996649 0.777531} Si192 568 0.0 -1 8 {} O 0.0 {0.101321 0.958316 0.649346} O377 569 0.0 -1 8 {} O 0.0 {0.115949 0.98667 0.834306} O378 570 0.0 -1 8 {} O 0.0 {0.104441 0.980176 0.66272} O379 571 0.0 -1 8 {} O 0.0 {0.116119 0.00983194 0.819238} O380 572 0.0 -1 8 {} O 0.0 {0.121672 0.995396 0.746233} O381 573 0.0 -1 8 {} O 0.0 {0.111008 0.992967 0.735099} O382 574 0.0 -1 8 {} O 0.0 {0.110933 0.970083 0.898511} O383 575 0.0 -1 8 {} O 0.0 {0.102003 0.963442 0.934949} O384 576 0.0 -1 14 {} Si 0.0 {0.107439 0.0145887 0.967424} Si193 577 0.0 -1 14 {} Si 0.0 {0.118082 0.0169825 0.220076} Si194 578 0.0 -1 14 {} Si 0.0 {0.106614 0.0391603 0.058875} Si195 579 0.0 -1 14 {} Si 0.0 {0.117223 0.0407072 0.134377} Si196 580 0.0 -1 8 {} O 0.0 {0.107845 0.000923733 0.000244303} O385 581 0.0 -1 8 {} O 0.0 {0.119093 0.029462 0.179556} O386 582 0.0 -1 8 {} O 0.0 {0.106913 0.0250242 0.0238238} O387 583 0.0 -1 8 {} O 0.0 {0.117475 0.0536109 0.182652} O388 584 0.0 -1 8 {} O 0.0 {0.121235 0.0441788 0.0801785} O389 585 0.0 -1 8 {} O 0.0 {0.111416 0.038837 0.106319} O390 586 0.0 -1 8 {} O 0.0 {0.113046 0.0192538 0.263206} O391 587 0.0 -1 8 {} O 0.0 {0.102708 0.014083 0.249017} O392 588 0.0 -1 14 {} Si 0.0 {0.107551 0.0156513 0.295726} Si197 589 0.0 -1 14 {} Si 0.0 {0.11628 0.0180478 0.556483} Si198 590 0.0 -1 14 {} Si 0.0 {0.107094 0.0413037 0.374244} Si199 591 0.0 -1 14 {} Si 0.0 {0.116224 0.0411698 0.466652} Si200 592 0.0 -1 8 {} O 0.0 {0.109084 0.0024372 0.333198} O393 593 0.0 -1 8 {} O 0.0 {0.115205 0.0285155 0.504618} O394 594 0.0 -1 8 {} O 0.0 {0.106361 0.0276544 0.338466} O395 595 0.0 -1 8 {} O 0.0 {0.114852 0.0537334 0.508497} O396 596 0.0 -1 8 {} O 0.0 {0.121861 0.0413212 0.433116} O397 597 0.0 -1 8 {} O 0.0 {0.112635 0.0415335 0.402541} O398 598 0.0 -1 8 {} O 0.0 {0.11094 0.0157276 0.591756} O399 599 0.0 -1 8 {} O 0.0 {0.101203 0.0226111 0.595523} O400 600 0.0 -1 14 {} Si 0.0 {0.105877 0.0178582 0.634649} Si201 601 0.0 -1 14 {} Si 0.0 {0.116822 0.0197739 0.880727} Si202 602 0.0 -1 14 {} Si 0.0 {0.106783 0.0403201 0.731627} Si203 603 0.0 -1 14 {} Si 0.0 {0.117313 0.0441807 0.799416} Si204 604 0.0 -1 8 {} O 0.0 {0.104213 0.00440691 0.661422} O401 605 0.0 -1 8 {} O 0.0 {0.118319 0.0331749 0.853098} O402 606 0.0 -1 8 {} O 0.0 {0.107089 0.0275049 0.693756} O403 607 0.0 -1 8 {} O 0.0 {0.118869 0.0580567 0.830187} O404 608 0.0 -1 8 {} O 0.0 {0.121179 0.0434489 0.739608} O405 609 0.0 -1 8 {} O 0.0 {0.111497 0.0416914 0.779314} O406 610 0.0 -1 8 {} O 0.0 {0.111947 0.0195384 0.92686} O407 611 0.0 -1 8 {} O 0.0 {0.102078 0.0163307 0.926995} O408 612 0.0 -1 14 {} Si 0.0 {0.107484 0.062718 0.963865} Si205 613 0.0 -1 14 {} Si 0.0 {0.116287 0.0670377 0.214658} Si206 614 0.0 -1 14 {} Si 0.0 {0.106441 0.0899165 0.0216794} Si207 615 0.0 -1 14 {} Si 0.0 {0.11534 0.0904885 0.121184} Si208 616 0.0 -1 8 {} O 0.0 {0.10743 0.0493629 0.00128999} O409 617 0.0 -1 8 {} O 0.0 {0.114808 0.077434 0.161128} O410 618 0.0 -1 8 {} O 0.0 {0.106735 0.0745139 0.0113867} O411 619 0.0 -1 8 {} O 0.0 {0.113605 0.0999613 0.174522} O412 620 0.0 -1 8 {} O 0.0 {0.121312 0.090919 0.0928611} O413 621 0.0 -1 8 {} O 0.0 {0.110952 0.093325 0.0686015} O414 622 0.0 -1 8 {} O 0.0 {0.111256 0.0673691 0.26107} O415 623 0.0 -1 8 {} O 0.0 {0.101525 0.064994 0.232223} O416 624 0.0 -1 14 {} Si 0.0 {0.105502 0.0664446 0.289651} Si209 625 0.0 -1 14 {} Si 0.0 {0.115606 0.0664253 0.550135} Si210 626 0.0 -1 14 {} Si 0.0 {0.104766 0.0922061 0.363936} Si211 627 0.0 -1 14 {} Si 0.0 {0.115698 0.0918534 0.456907} Si212 628 0.0 -1 8 {} O 0.0 {0.105617 0.0545682 0.339514} O417 629 0.0 -1 8 {} O 0.0 {0.115463 0.077968 0.49559} O418 630 0.0 -1 8 {} O 0.0 {0.104335 0.0801645 0.317408} O419 631 0.0 -1 8 {} O 0.0 {0.11491 0.100131 0.510075} O420 632 0.0 -1 8 {} O 0.0 {0.121907 0.0916196 0.441648} O421 633 0.0 -1 8 {} O 0.0 {0.110006 0.0967484 0.376024} O422 634 0.0 -1 8 {} O 0.0 {0.111571 0.0694749 0.605734} O423 635 0.0 -1 8 {} O 0.0 {0.101786 0.06575 0.600696} O424 636 0.0 -1 14 {} Si 0.0 {0.106652 0.0656175 0.646046} Si213 637 0.0 -1 14 {} Si 0.0 {0.117467 0.0675669 0.885826} Si214 638 0.0 -1 14 {} Si 0.0 {0.105532 0.0898126 0.728914} Si215 639 0.0 -1 14 {} Si 0.0 {0.116246 0.0915692 0.80394} Si216 640 0.0 -1 8 {} O 0.0 {0.106431 0.0511042 0.677874} O425 641 0.0 -1 8 {} O 0.0 {0.115264 0.0807031 0.855301} O426 642 0.0 -1 8 {} O 0.0 {0.105792 0.075608 0.702185} O427 643 0.0 -1 8 {} O 0.0 {0.116768 0.105869 0.831294} O428 644 0.0 -1 8 {} O 0.0 {0.121512 0.0886984 0.768166} O429 645 0.0 -1 8 {} O 0.0 {0.111372 0.0917624 0.755756} O430 646 0.0 -1 8 {} O 0.0 {0.112904 0.0625121 0.932395} O431 647 0.0 -1 8 {} O 0.0 {0.102027 0.0646917 0.923114} O432 648 0.0 -1 14 {} Si 0.0 {0.124647 0.965895 0.955343} Si217 649 0.0 -1 14 {} Si 0.0 {0.13721 0.965948 0.214012} Si218 650 0.0 -1 14 {} Si 0.0 {0.125646 0.989579 0.0500013} Si219 651 0.0 -1 14 {} Si 0.0 {0.13658 0.989601 0.123692} Si220 652 0.0 -1 8 {} O 0.0 {0.121281 0.955141 0.989747} O433 653 0.0 -1 8 {} O 0.0 {0.137025 0.975992 0.157991} O434 654 0.0 -1 8 {} O 0.0 {0.125149 0.978426 0.999777} O435 655 0.0 -1 8 {} O 0.0 {0.135985 0.000526605 0.179065} O436 656 0.0 -1 8 {} O 0.0 {0.141565 0.993125 0.0853677} O437 657 0.0 -1 8 {} O 0.0 {0.131293 0.987764 0.0783973} O438 658 0.0 -1 8 {} O 0.0 {0.132163 0.965144 0.261639} O439 659 0.0 -1 8 {} O 0.0 {0.122294 0.961837 0.262238} O440 660 0.0 -1 14 {} Si 0.0 {0.127035 0.967611 0.302127} Si221 661 0.0 -1 14 {} Si 0.0 {0.136677 0.9663 0.567429} Si222 662 0.0 -1 14 {} Si 0.0 {0.126529 0.990815 0.396465} Si223 663 0.0 -1 14 {} Si 0.0 {0.136692 0.989562 0.476476} Si224 664 0.0 -1 8 {} O 0.0 {0.126141 0.957588 0.35711} O441 665 0.0 -1 8 {} O 0.0 {0.137811 0.979663 0.53323} O442 666 0.0 -1 8 {} O 0.0 {0.126386 0.980984 0.336829} O443 667 0.0 -1 8 {} O 0.0 {0.136821 0.00400883 0.502953} O444 668 0.0 -1 8 {} O 0.0 {0.141188 0.987818 0.42361} O445 669 0.0 -1 8 {} O 0.0 {0.131167 0.987255 0.442846} O446 670 0.0 -1 8 {} O 0.0 {0.13105 0.965445 0.595109} O447 671 0.0 -1 8 {} O 0.0 {0.120569 0.960977 0.587759} O448 672 0.0 -1 14 {} Si 0.0 {0.125618 0.963953 0.633297} Si225 673 0.0 -1 14 {} Si 0.0 {0.135311 0.964872 0.878368} Si226 674 0.0 -1 14 {} Si 0.0 {0.126349 0.990428 0.70395} Si227 675 0.0 -1 14 {} Si 0.0 {0.135984 0.990365 0.796463} Si228 676 0.0 -1 8 {} O 0.0 {0.126476 0.95127 0.675874} O449 677 0.0 -1 8 {} O 0.0 {0.135035 0.977607 0.834217} O450 678 0.0 -1 8 {} O 0.0 {0.125162 0.975381 0.686274} O451 679 0.0 -1 8 {} O 0.0 {0.13604 0.00406363 0.835489} O452 680 0.0 -1 8 {} O 0.0 {0.141727 0.991085 0.765292} O453 681 0.0 -1 8 {} O 0.0 {0.131756 0.989733 0.742301} O454 682 0.0 -1 8 {} O 0.0 {0.130538 0.962381 0.92452} O455 683 0.0 -1 8 {} O 0.0 {0.121076 0.970282 0.894682} O456 684 0.0 -1 14 {} Si 0.0 {0.126476 0.0144719 0.971092} Si229 685 0.0 -1 14 {} Si 0.0 {0.136223 0.0135683 0.220854} Si230 686 0.0 -1 14 {} Si 0.0 {0.126486 0.0422087 0.0431324} Si231 687 0.0 -1 14 {} Si 0.0 {0.135575 0.0387761 0.139353} Si232 688 0.0 -1 8 {} O 0.0 {0.125001 0.00339332 0.0170128} O457 689 0.0 -1 8 {} O 0.0 {0.135142 0.0249958 0.172732} O458 690 0.0 -1 8 {} O 0.0 {0.125986 0.0279878 0.0107603} O459 691 0.0 -1 8 {} O 0.0 {0.134713 0.0493797 0.193511} O460 692 0.0 -1 8 {} O 0.0 {0.141123 0.0395463 0.108597} O461 693 0.0 -1 8 {} O 0.0 {0.131336 0.0409624 0.088398} O462 694 0.0 -1 8 {} O 0.0 {0.13252 0.012546 0.276704} O463 695 0.0 -1 8 {} O 0.0 {0.122903 0.0122828 0.262559} O464 696 0.0 -1 14 {} Si 0.0 {0.127252 0.0151806 0.315469} Si233 697 0.0 -1 14 {} Si 0.0 {0.13669 0.0173784 0.54168} Si234 698 0.0 -1 14 {} Si 0.0 {0.126659 0.0434959 0.384975} Si235 699 0.0 -1 14 {} Si 0.0 {0.137084 0.0429963 0.46218} Si236 700 0.0 -1 8 {} O 0.0 {0.126376 0.00508388 0.371289} O465 701 0.0 -1 8 {} O 0.0 {0.136569 0.0292764 0.491878} O466 702 0.0 -1 8 {} O 0.0 {0.126821 0.0308734 0.339473} O467 703 0.0 -1 8 {} O 0.0 {0.137142 0.0525634 0.52172} O468 704 0.0 -1 8 {} O 0.0 {0.142414 0.0443835 0.425625} O469 705 0.0 -1 8 {} O 0.0 {0.131918 0.0453841 0.419018} O470 706 0.0 -1 8 {} O 0.0 {0.131634 0.0173952 0.586551} O471 707 0.0 -1 8 {} O 0.0 {0.120956 0.0203441 0.601226} O472 708 0.0 -1 14 {} Si 0.0 {0.126518 0.015973 0.628579} Si237 709 0.0 -1 14 {} Si 0.0 {0.135987 0.015607 0.88246} Si238 710 0.0 -1 14 {} Si 0.0 {0.126851 0.040676 0.708494} Si239 711 0.0 -1 14 {} Si 0.0 {0.135835 0.0410499 0.802099} Si240 712 0.0 -1 8 {} O 0.0 {0.126651 0.00111935 0.652113} O473 713 0.0 -1 8 {} O 0.0 {0.134397 0.0292231 0.848773} O474 714 0.0 -1 8 {} O 0.0 {0.127229 0.0255482 0.685498} O475 715 0.0 -1 8 {} O 0.0 {0.13727 0.0520372 0.851407} O476 716 0.0 -1 8 {} O 0.0 {0.140661 0.0402664 0.752876} O477 717 0.0 -1 8 {} O 0.0 {0.130794 0.044567 0.762926} O478 718 0.0 -1 8 {} O 0.0 {0.131908 0.0127453 0.93582} O479 719 0.0 -1 8 {} O 0.0 {0.121944 0.0151499 0.920645} O480 720 0.0 -1 14 {} Si 0.0 {0.127991 0.0675887 0.964033} Si241 721 0.0 -1 14 {} Si 0.0 {0.135694 0.0632943 0.219565} Si242 722 0.0 -1 14 {} Si 0.0 {0.12677 0.0908438 0.0561217} Si243 723 0.0 -1 14 {} Si 0.0 {0.136633 0.0880716 0.13897} Si244 724 0.0 -1 8 {} O 0.0 {0.127253 0.0541333 0.996718} O481 725 0.0 -1 8 {} O 0.0 {0.136066 0.0741063 0.165394} O482 726 0.0 -1 8 {} O 0.0 {0.128016 0.0782672 0.0172231} O483 727 0.0 -1 8 {} O 0.0 {0.137368 0.0973929 0.201744} O484 728 0.0 -1 8 {} O 0.0 {0.141526 0.089775 0.0908729} O485 729 0.0 -1 8 {} O 0.0 {0.131694 0.0935632 0.104169} O486 730 0.0 -1 8 {} O 0.0 {0.131294 0.0671392 0.269194} O487 731 0.0 -1 8 {} O 0.0 {0.121365 0.0711475 0.253314} O488 732 0.0 -1 14 {} Si 0.0 {0.125787 0.068083 0.302102} Si245 733 0.0 -1 14 {} Si 0.0 {0.136743 0.0663655 0.55034} Si246 734 0.0 -1 14 {} Si 0.0 {0.126553 0.0925176 0.391616} Si247 735 0.0 -1 14 {} Si 0.0 {0.137274 0.0912203 0.461779} Si248 736 0.0 -1 8 {} O 0.0 {0.124798 0.05522 0.341038} O489 737 0.0 -1 8 {} O 0.0 {0.136936 0.0772891 0.495776} O490 738 0.0 -1 8 {} O 0.0 {0.126055 0.0797127 0.353029} O491 739 0.0 -1 8 {} O 0.0 {0.137222 0.103096 0.512633} O492 740 0.0 -1 8 {} O 0.0 {0.142019 0.0922051 0.417131} O493 741 0.0 -1 8 {} O 0.0 {0.132323 0.0963435 0.422087} O494 742 0.0 -1 8 {} O 0.0 {0.1314 0.0697573 0.584305} O495 743 0.0 -1 8 {} O 0.0 {0.121232 0.0641406 0.580561} O496 744 0.0 -1 14 {} Si 0.0 {0.126408 0.065623 0.622959} Si249 745 0.0 -1 14 {} Si 0.0 {0.137757 0.0661707 0.882408} Si250 746 0.0 -1 14 {} Si 0.0 {0.126095 0.078682 0.75139} Si251 747 0.0 -1 14 {} Si 0.0 {0.137295 0.0880957 0.785453} Si252 748 0.0 -1 8 {} O 0.0 {0.12744 0.0513698 0.654192} O497 749 0.0 -1 8 {} O 0.0 {0.138946 0.0765748 0.829121} O498 750 0.0 -1 8 {} O 0.0 {0.125613 0.0755099 0.678457} O499 751 0.0 -1 8 {} O 0.0 {0.137037 0.102345 0.819529} O500 752 0.0 -1 8 {} O 0.0 {0.141172 0.0899962 0.724874} O501 753 0.0 -1 8 {} O 0.0 {0.131352 0.0856275 0.763244} O502 754 0.0 -1 8 {} O 0.0 {0.132784 0.0705428 0.91691} O503 755 0.0 -1 8 {} O 0.0 {0.122842 0.0707562 0.921809} O504 756 0.0 -1 14 {} Si 0.0 {0.146532 0.965957 0.947683} Si253 757 0.0 -1 14 {} Si 0.0 {0.156836 0.963153 0.205862} Si254 758 0.0 -1 14 {} Si 0.0 {0.146577 0.990723 0.0418991} Si255 759 0.0 -1 14 {} Si 0.0 {0.156283 0.989896 0.139647} Si256 760 0.0 -1 8 {} O 0.0 {0.147355 0.955283 0.999184} O505 761 0.0 -1 8 {} O 0.0 {0.155616 0.9747 0.162427} O506 762 0.0 -1 8 {} O 0.0 {0.145916 0.978074 0.996654} O507 763 0.0 -1 8 {} O 0.0 {0.156655 0.999762 0.197594} O508 764 0.0 -1 8 {} O 0.0 {0.162001 0.988102 0.107898} O509 765 0.0 -1 8 {} O 0.0 {0.151718 0.991769 0.0863469} O510 766 0.0 -1 8 {} O 0.0 {0.152605 0.961978 0.260986} O511 767 0.0 -1 8 {} O 0.0 {0.142262 0.968479 0.253432} O512 768 0.0 -1 14 {} Si 0.0 {0.147326 0.96672 0.296473} Si257 769 0.0 -1 14 {} Si 0.0 {0.155876 0.964457 0.548872} Si258 770 0.0 -1 14 {} Si 0.0 {0.146481 0.990574 0.38467} Si259 771 0.0 -1 14 {} Si 0.0 {0.1566 0.99025 0.472734} Si260 772 0.0 -1 8 {} O 0.0 {0.145865 0.953501 0.330323} O513 773 0.0 -1 8 {} O 0.0 {0.154937 0.978576 0.518855} O514 774 0.0 -1 8 {} O 0.0 {0.148386 0.977557 0.349678} O515 775 0.0 -1 8 {} O 0.0 {0.158036 0.00227184 0.514731} O516 776 0.0 -1 8 {} O 0.0 {0.161459 0.987014 0.425435} O517 777 0.0 -1 8 {} O 0.0 {0.151125 0.993154 0.430324} O518 778 0.0 -1 8 {} O 0.0 {0.150983 0.962103 0.594183} O519 779 0.0 -1 8 {} O 0.0 {0.140933 0.965193 0.621422} O520 780 0.0 -1 14 {} Si 0.0 {0.146951 0.966363 0.647693} Si261 781 0.0 -1 14 {} Si 0.0 {0.156327 0.966851 0.856268} Si262 782 0.0 -1 14 {} Si 0.0 {0.146612 0.993332 0.715337} Si263 783 0.0 -1 14 {} Si 0.0 {0.156596 0.995251 0.795251} Si264 784 0.0 -1 8 {} O 0.0 {0.148221 0.956886 0.706089} O521 785 0.0 -1 8 {} O 0.0 {0.156381 0.981973 0.830093} O522 786 0.0 -1 8 {} O 0.0 {0.148052 0.980062 0.680703} O523 787 0.0 -1 8 {} O 0.0 {0.156579 0.0073948 0.845434} O524 788 0.0 -1 8 {} O 0.0 {0.161398 0.995975 0.748822} O525 789 0.0 -1 8 {} O 0.0 {0.151767 0.998196 0.752097} O526 790 0.0 -1 8 {} O 0.0 {0.151196 0.963774 0.893906} O527 791 0.0 -1 8 {} O 0.0 {0.140771 0.964624 0.912769} O528 792 0.0 -1 14 {} Si 0.0 {0.146005 0.0167782 0.960708} Si265 793 0.0 -1 14 {} Si 0.0 {0.15683 0.0142047 0.225895} Si266 794 0.0 -1 14 {} Si 0.0 {0.145599 0.0391278 0.0568921} Si267 795 0.0 -1 14 {} Si 0.0 {0.156437 0.038036 0.139991} Si268 796 0.0 -1 8 {} O 0.0 {0.146648 0.00308101 0.996889} O529 797 0.0 -1 8 {} O 0.0 {0.156743 0.0241483 0.169482} O530 798 0.0 -1 8 {} O 0.0 {0.144977 0.0276265 0.0109355} O531 799 0.0 -1 8 {} O 0.0 {0.155849 0.0488845 0.191688} O532 800 0.0 -1 8 {} O 0.0 {0.160742 0.0416034 0.0910623} O533 801 0.0 -1 8 {} O 0.0 {0.151194 0.0378723 0.0957146} O534 802 0.0 -1 8 {} O 0.0 {0.152037 0.0160265 0.272394} O535 803 0.0 -1 8 {} O 0.0 {0.141796 0.0166303 0.250012} O536 804 0.0 -1 14 {} Si 0.0 {0.146066 0.01481 0.302891} Si269 805 0.0 -1 14 {} Si 0.0 {0.157266 0.0147496 0.555873} Si270 806 0.0 -1 14 {} Si 0.0 {0.147326 0.0389745 0.384041} Si271 807 0.0 -1 14 {} Si 0.0 {0.157438 0.0396933 0.467988} Si272 808 0.0 -1 8 {} O 0.0 {0.145071 0.000927628 0.330701} O537 809 0.0 -1 8 {} O 0.0 {0.157778 0.0278722 0.516824} O538 810 0.0 -1 8 {} O 0.0 {0.145741 0.0254612 0.358327} O539 811 0.0 -1 8 {} O 0.0 {0.159073 0.0523297 0.506917} O540 812 0.0 -1 8 {} O 0.0 {0.162094 0.0356644 0.421139} O541 813 0.0 -1 8 {} O 0.0 {0.15217 0.0387351 0.431219} O542 814 0.0 -1 8 {} O 0.0 {0.151507 0.0160163 0.58659} O543 815 0.0 -1 8 {} O 0.0 {0.141788 0.0209346 0.582193} O544 816 0.0 -1 14 {} Si 0.0 {0.146289 0.0171977 0.628989} Si273 817 0.0 -1 14 {} Si 0.0 {0.157204 0.0190526 0.891854} Si274 818 0.0 -1 14 {} Si 0.0 {0.146154 0.0417619 0.724841} Si275 819 0.0 -1 14 {} Si 0.0 {0.157019 0.04205 0.799119} Si276 820 0.0 -1 8 {} O 0.0 {0.145164 0.00498753 0.66985} O545 821 0.0 -1 8 {} O 0.0 {0.157719 0.0319286 0.854378} O546 822 0.0 -1 8 {} O 0.0 {0.14688 0.0301142 0.678395} O547 823 0.0 -1 8 {} O 0.0 {0.157874 0.056826 0.836695} O548 824 0.0 -1 8 {} O 0.0 {0.161243 0.0399017 0.747478} O549 825 0.0 -1 8 {} O 0.0 {0.15091 0.0415233 0.773812} O550 826 0.0 -1 8 {} O 0.0 {0.151824 0.0191703 0.928878} O551 827 0.0 -1 8 {} O 0.0 {0.141628 0.0172704 0.905774} O552 828 0.0 -1 14 {} Si 0.0 {0.147397 0.0649362 0.975212} Si277 829 0.0 -1 14 {} Si 0.0 {0.156513 0.0625086 0.222622} Si278 830 0.0 -1 14 {} Si 0.0 {0.147171 0.0893463 0.0600292} Si279 831 0.0 -1 14 {} Si 0.0 {0.157138 0.0875286 0.142517} Si280 832 0.0 -1 8 {} O 0.0 {0.146407 0.0530628 0.0216179} O553 833 0.0 -1 8 {} O 0.0 {0.157313 0.0728328 0.166856} O554 834 0.0 -1 8 {} O 0.0 {0.14789 0.0787119 0.0106837} O555 835 0.0 -1 8 {} O 0.0 {0.158008 0.0977002 0.202953} O556 836 0.0 -1 8 {} O 0.0 {0.161353 0.0895604 0.0847822} O557 837 0.0 -1 8 {} O 0.0 {0.151416 0.0892602 0.117904} O558 838 0.0 -1 8 {} O 0.0 {0.151172 0.0669489 0.260437} O559 839 0.0 -1 8 {} O 0.0 {0.141215 0.0639525 0.252717} O560 840 0.0 -1 14 {} Si 0.0 {0.14623 0.0627651 0.298667} Si281 841 0.0 -1 14 {} Si 0.0 {0.15692 0.0637297 0.552432} Si282 842 0.0 -1 14 {} Si 0.0 {0.14641 0.0888335 0.365821} Si283 843 0.0 -1 14 {} Si 0.0 {0.155909 0.0882648 0.461369} Si284 844 0.0 -1 8 {} O 0.0 {0.147496 0.048787 0.326913} O561 845 0.0 -1 8 {} O 0.0 {0.155351 0.0737246 0.498355} O562 846 0.0 -1 8 {} O 0.0 {0.145691 0.0740252 0.350176} O563 847 0.0 -1 8 {} O 0.0 {0.155206 0.100959 0.508059} O564 848 0.0 -1 8 {} O 0.0 {0.161537 0.0896692 0.428788} O565 849 0.0 -1 8 {} O 0.0 {0.15176 0.0898818 0.405252} O566 850 0.0 -1 8 {} O 0.0 {0.151615 0.0619923 0.589629} O567 851 0.0 -1 8 {} O 0.0 {0.141327 0.0679044 0.599803} O568 852 0.0 -1 14 {} Si 0.0 {0.146805 0.0657687 0.633313} Si285 853 0.0 -1 14 {} Si 0.0 {0.156948 0.0676879 0.88494} Si286 854 0.0 -1 14 {} Si 0.0 {0.146884 0.0920859 0.699812} Si287 855 0.0 -1 14 {} Si 0.0 {0.155769 0.0923795 0.800704} Si288 856 0.0 -1 8 {} O 0.0 {0.14651 0.0551223 0.68992} O569 857 0.0 -1 8 {} O 0.0 {0.155459 0.0814291 0.850823} O570 858 0.0 -1 8 {} O 0.0 {0.148449 0.0790454 0.66861} O571 859 0.0 -1 8 {} O 0.0 {0.15713 0.106446 0.828512} O572 860 0.0 -1 8 {} O 0.0 {0.161188 0.0906868 0.75693} O573 861 0.0 -1 8 {} O 0.0 {0.150642 0.093983 0.757571} O574 862 0.0 -1 8 {} O 0.0 {0.152685 0.0627734 0.9332} O575 863 0.0 -1 8 {} O 0.0 {0.142699 0.0657622 0.927456} O576 864 0.0 -1 14 {} Si 0.0 {0.166118 0.965949 0.948191} Si289 865 0.0 -1 14 {} Si 0.0 {0.178263 0.964835 0.21278} Si290 866 0.0 -1 14 {} Si 0.0 {0.166593 0.987916 0.0569847} Si291 867 0.0 -1 14 {} Si 0.0 {0.177557 0.987679 0.121843} Si292 868 0.0 -1 8 {} O 0.0 {0.165811 0.952831 0.981751} O577 869 0.0 -1 8 {} O 0.0 {0.17893 0.974994 0.157161} O578 870 0.0 -1 8 {} O 0.0 {0.165938 0.975988 0.00827373} O579 871 0.0 -1 8 {} O 0.0 {0.177787 0.99946 0.168958} O580 872 0.0 -1 8 {} O 0.0 {0.181828 0.98934 0.0691725} O581 873 0.0 -1 8 {} O 0.0 {0.171932 0.985788 0.09193} O582 874 0.0 -1 8 {} O 0.0 {0.173037 0.967415 0.248158} O583 875 0.0 -1 8 {} O 0.0 {0.16253 0.963175 0.236343} O584 876 0.0 -1 14 {} Si 0.0 {0.167392 0.96387 0.282978} Si293 877 0.0 -1 14 {} Si 0.0 {0.175871 0.962874 0.569361} Si294 878 0.0 -1 14 {} Si 0.0 {0.166906 0.985402 0.38867} Si295 879 0.0 -1 14 {} Si 0.0 {0.176227 0.986788 0.482264} Si296 880 0.0 -1 8 {} O 0.0 {0.168798 0.950682 0.315377} O585 881 0.0 -1 8 {} O 0.0 {0.175641 0.976945 0.539178} O586 882 0.0 -1 8 {} O 0.0 {0.166627 0.973071 0.343989} O587 883 0.0 -1 8 {} O 0.0 {0.176492 0.00116288 0.512399} O588 884 0.0 -1 8 {} O 0.0 {0.18196 0.985246 0.446043} O589 885 0.0 -1 8 {} O 0.0 {0.171634 0.985893 0.43571} O590 886 0.0 -1 8 {} O 0.0 {0.170183 0.960339 0.598856} O591 887 0.0 -1 8 {} O 0.0 {0.160555 0.966355 0.593368} O592 888 0.0 -1 14 {} Si 0.0 {0.165242 0.965148 0.645076} Si297 889 0.0 -1 14 {} Si 0.0 {0.177301 0.963468 0.882764} Si298 890 0.0 -1 14 {} Si 0.0 {0.166643 0.992153 0.715078} Si299 891 0.0 -1 14 {} Si 0.0 {0.176263 0.988699 0.806978} Si300 892 0.0 -1 8 {} O 0.0 {0.163448 0.956031 0.700967} O593 893 0.0 -1 8 {} O 0.0 {0.17792 0.975762 0.841124} O594 894 0.0 -1 8 {} O 0.0 {0.165438 0.979269 0.674761} O595 895 0.0 -1 8 {} O 0.0 {0.175732 0.999648 0.856863} O596 896 0.0 -1 8 {} O 0.0 {0.180374 0.99221 0.752319} O597 897 0.0 -1 8 {} O 0.0 {0.170761 0.98765 0.768446} O598 898 0.0 -1 8 {} O 0.0 {0.171785 0.964828 0.91732} O599 899 0.0 -1 8 {} O 0.0 {0.161689 0.964567 0.89525} O600 900 0.0 -1 14 {} Si 0.0 {0.167077 0.0145489 0.982999} Si301 901 0.0 -1 14 {} Si 0.0 {0.176564 0.0114437 0.211793} Si302 902 0.0 -1 14 {} Si 0.0 {0.166002 0.0414879 0.0507099} Si303 903 0.0 -1 14 {} Si 0.0 {0.175875 0.0373141 0.141499} Si304 904 0.0 -1 8 {} O 0.0 {0.1668 0.00186009 0.0226691} O601 905 0.0 -1 8 {} O 0.0 {0.174876 0.0235786 0.171045} O602 906 0.0 -1 8 {} O 0.0 {0.166408 0.0282361 0.0146182} O603 907 0.0 -1 8 {} O 0.0 {0.176678 0.0466998 0.200188} O604 908 0.0 -1 8 {} O 0.0 {0.181391 0.038644 0.105813} O605 909 0.0 -1 8 {} O 0.0 {0.171055 0.0424144 0.092596} O606 910 0.0 -1 8 {} O 0.0 {0.171471 0.00799152 0.252359} O607 911 0.0 -1 8 {} O 0.0 {0.161949 0.0161451 0.263659} O608 912 0.0 -1 14 {} Si 0.0 {0.166933 0.0116507 0.302666} Si305 913 0.0 -1 14 {} Si 0.0 {0.176739 0.0155804 0.541238} Si306 914 0.0 -1 14 {} Si 0.0 {0.167722 0.0358251 0.386453} Si307 915 0.0 -1 14 {} Si 0.0 {0.177672 0.0403463 0.46726} Si308 916 0.0 -1 8 {} O 0.0 {0.166257 0.998637 0.345167} O609 917 0.0 -1 8 {} O 0.0 {0.178276 0.0254766 0.49004} O610 918 0.0 -1 8 {} O 0.0 {0.168829 0.0236656 0.343162} O611 919 0.0 -1 8 {} O 0.0 {0.177444 0.04974 0.523942} O612 920 0.0 -1 8 {} O 0.0 {0.182218 0.0437569 0.421524} O613 921 0.0 -1 8 {} O 0.0 {0.172187 0.0404953 0.433386} O614 922 0.0 -1 8 {} O 0.0 {0.17117 0.0172719 0.57524} O615 923 0.0 -1 8 {} O 0.0 {0.161827 0.0150157 0.606757} O616 924 0.0 -1 14 {} Si 0.0 {0.167739 0.0165257 0.634575} Si309 925 0.0 -1 14 {} Si 0.0 {0.175965 0.0140016 0.88312} Si310 926 0.0 -1 14 {} Si 0.0 {0.166522 0.0426712 0.711274} Si311 927 0.0 -1 14 {} Si 0.0 {0.176099 0.0384224 0.794699} Si312 928 0.0 -1 8 {} O 0.0 {0.168726 0.00448611 0.678032} O617 929 0.0 -1 8 {} O 0.0 {0.174913 0.0248811 0.831026} O618 930 0.0 -1 8 {} O 0.0 {0.167913 0.030262 0.672076} O619 931 0.0 -1 8 {} O 0.0 {0.177601 0.0480481 0.848685} O620 932 0.0 -1 8 {} O 0.0 {0.181118 0.0375819 0.750753} O621 933 0.0 -1 8 {} O 0.0 {0.171078 0.0433894 0.763178} O622 934 0.0 -1 8 {} O 0.0 {0.172416 0.0148391 0.940833} O623 935 0.0 -1 8 {} O 0.0 {0.162191 0.0149515 0.934998} O624 936 0.0 -1 14 {} Si 0.0 {0.166928 0.0666897 0.964439} Si313 937 0.0 -1 14 {} Si 0.0 {0.176931 0.0617202 0.223468} Si314 938 0.0 -1 14 {} Si 0.0 {0.167118 0.0901043 0.0532393} Si315 939 0.0 -1 14 {} Si 0.0 {0.176406 0.0865562 0.143972} Si316 940 0.0 -1 8 {} O 0.0 {0.166104 0.0550236 0.0133699} O625 941 0.0 -1 8 {} O 0.0 {0.176272 0.071516 0.167439} O626 942 0.0 -1 8 {} O 0.0 {0.168478 0.0790373 0.00412913} O627 943 0.0 -1 8 {} O 0.0 {0.176864 0.0968011 0.204327} O628 944 0.0 -1 8 {} O 0.0 {0.181237 0.0895558 0.0975899} O629 945 0.0 -1 8 {} O 0.0 {0.17159 0.0911252 0.104068} O630 946 0.0 -1 8 {} O 0.0 {0.171862 0.0640567 0.267499} O631 947 0.0 -1 8 {} O 0.0 {0.161903 0.0647731 0.261436} O632 948 0.0 -1 14 {} Si 0.0 {0.166906 0.0622564 0.309732} Si317 949 0.0 -1 14 {} Si 0.0 {0.176673 0.0642522 0.548064} Si318 950 0.0 -1 14 {} Si 0.0 {0.1663 0.0887135 0.378674} Si319 951 0.0 -1 14 {} Si 0.0 {0.176599 0.0889519 0.456181} Si320 952 0.0 -1 8 {} O 0.0 {0.166636 0.0479227 0.341609} O633 953 0.0 -1 8 {} O 0.0 {0.176512 0.0753995 0.494009} O634 954 0.0 -1 8 {} O 0.0 {0.166628 0.0743952 0.353792} O635 955 0.0 -1 8 {} O 0.0 {0.175856 0.0999223 0.508946} O636 956 0.0 -1 8 {} O 0.0 {0.181989 0.0912947 0.421049} O637 957 0.0 -1 8 {} O 0.0 {0.17162 0.0909981 0.412462} O638 958 0.0 -1 8 {} O 0.0 {0.171115 0.0665068 0.582024} O639 959 0.0 -1 8 {} O 0.0 {0.161471 0.0714848 0.593848} O640 960 0.0 -1 14 {} Si 0.0 {0.166653 0.068739 0.630991} Si321 961 0.0 -1 14 {} Si 0.0 {0.177112 0.0621154 0.880499} Si322 962 0.0 -1 14 {} Si 0.0 {0.166969 0.0911838 0.727531} Si323 963 0.0 -1 14 {} Si 0.0 {0.17725 0.0899401 0.807173} Si324 964 0.0 -1 8 {} O 0.0 {0.16591 0.0561627 0.672317} O641 965 0.0 -1 8 {} O 0.0 {0.177489 0.074784 0.835669} O642 966 0.0 -1 8 {} O 0.0 {0.167781 0.0814379 0.670833} O643 967 0.0 -1 8 {} O 0.0 {0.178206 0.0982189 0.866079} O644 968 0.0 -1 8 {} O 0.0 {0.181043 0.0915915 0.748159} O645 969 0.0 -1 8 {} O 0.0 {0.171308 0.0896474 0.781928} O646 970 0.0 -1 8 {} O 0.0 {0.172003 0.0625357 0.919427} O647 971 0.0 -1 8 {} O 0.0 {0.162071 0.0698264 0.922743} O648 972 0.0 -1 14 {} Si 0.0 {0.188508 0.96346 0.94675} Si325 973 0.0 -1 14 {} Si 0.0 {0.196083 0.967326 0.18957} Si326 974 0.0 -1 14 {} Si 0.0 {0.187063 0.989758 0.0314514} Si327 975 0.0 -1 14 {} Si 0.0 {0.196886 0.99247 0.11249} Si328 976 0.0 -1 8 {} O 0.0 {0.191704 0.956055 0.999965} O649 977 0.0 -1 8 {} O 0.0 {0.196453 0.978229 0.136735} O650 978 0.0 -1 8 {} O 0.0 {0.18856 0.976658 0.992562} O651 979 0.0 -1 8 {} O 0.0 {0.197775 0.00246484 0.172642} O652 980 0.0 -1 8 {} O 0.0 {0.201578 0.993989 0.067817} O653 981 0.0 -1 8 {} O 0.0 {0.191468 0.99486 0.0783562} O654 982 0.0 -1 8 {} O 0.0 {0.191794 0.971162 0.24184} O655 983 0.0 -1 8 {} O 0.0 {0.182381 0.965107 0.272218} O656 984 0.0 -1 14 {} Si 0.0 {0.188116 0.967133 0.302371} Si329 985 0.0 -1 14 {} Si 0.0 {0.194828 0.968159 0.555799} Si330 986 0.0 -1 14 {} Si 0.0 {0.186386 0.99062 0.397403} Si331 987 0.0 -1 14 {} Si 0.0 {0.196919 0.992495 0.474919} Si332 988 0.0 -1 8 {} O 0.0 {0.191296 0.955196 0.330728} O657 989 0.0 -1 8 {} O 0.0 {0.195297 0.982764 0.527676} O658 990 0.0 -1 8 {} O 0.0 {0.187977 0.977277 0.359946} O659 991 0.0 -1 8 {} O 0.0 {0.198066 0.00645336 0.502905} O660 992 0.0 -1 8 {} O 0.0 {0.20132 0.986853 0.42975} O661 993 0.0 -1 8 {} O 0.0 {0.19186 0.994018 0.432599} O662 994 0.0 -1 8 {} O 0.0 {0.189718 0.965523 0.593402} O663 995 0.0 -1 8 {} O 0.0 {0.180169 0.964497 0.62189} O664 996 0.0 -1 14 {} Si 0.0 {0.185747 0.967052 0.652347} Si333 997 0.0 -1 14 {} Si 0.0 {0.197344 0.967221 0.845375} Si334 998 0.0 -1 14 {} Si 0.0 {0.18577 0.994704 0.711452} Si335 999 0.0 -1 14 {} Si 0.0 {0.196016 0.99544 0.79675} Si336 1000 0.0 -1 8 {} O 0.0 {0.18758 0.957106 0.704892} O665 1001 0.0 -1 8 {} O 0.0 {0.196776 0.98282 0.837205} O666 1002 0.0 -1 8 {} O 0.0 {0.185929 0.982517 0.668179} O667 1003 0.0 -1 8 {} O 0.0 {0.19626 0.00890806 0.838101} O668 1004 0.0 -1 8 {} O 0.0 {0.200315 0.995812 0.742862} O669 1005 0.0 -1 8 {} O 0.0 {0.190286 0.993638 0.763736} O670 1006 0.0 -1 8 {} O 0.0 {0.192094 0.963717 0.884466} O671 1007 0.0 -1 8 {} O 0.0 {0.182459 0.962378 0.92956} O672 1008 0.0 -1 14 {} Si 0.0 {0.186314 0.0155211 0.96149} Si337 1009 0.0 -1 14 {} Si 0.0 {0.196495 0.0134473 0.224864} Si338 1010 0.0 -1 14 {} Si 0.0 {0.186167 0.0377176 0.0560793} Si339 1011 0.0 -1 14 {} Si 0.0 {0.196586 0.0366927 0.135915} Si340 1012 0.0 -1 8 {} O 0.0 {0.186679 0.000972035 0.977807} O673 1013 0.0 -1 8 {} O 0.0 {0.195242 0.026747 0.190051} O674 1014 0.0 -1 8 {} O 0.0 {0.185767 0.0240469 0.0205193} O675 1015 0.0 -1 8 {} O 0.0 {0.197145 0.0514351 0.161691} O676 1016 0.0 -1 8 {} O 0.0 {0.201927 0.0337788 0.104302} O677 1017 0.0 -1 8 {} O 0.0 {0.191635 0.0377111 0.0855148} O678 1018 0.0 -1 8 {} O 0.0 {0.191347 0.0108733 0.26817} O679 1019 0.0 -1 8 {} O 0.0 {0.181891 0.0135123 0.24963} O680 1020 0.0 -1 14 {} Si 0.0 {0.186203 0.0135531 0.304303} Si341 1021 0.0 -1 14 {} Si 0.0 {0.197418 0.0171052 0.553603} Si342 1022 0.0 -1 14 {} Si 0.0 {0.187142 0.0405714 0.380204} Si343 1023 0.0 -1 14 {} Si 0.0 {0.197148 0.0424521 0.469137} Si344 1024 0.0 -1 8 {} O 0.0 {0.184774 0.000867566 0.347641} O681 1025 0.0 -1 8 {} O 0.0 {0.198235 0.0307417 0.517836} O682 1026 0.0 -1 8 {} O 0.0 {0.186936 0.0273025 0.339271} O683 1027 0.0 -1 8 {} O 0.0 {0.197378 0.0560801 0.509062} O684 1028 0.0 -1 8 {} O 0.0 {0.201774 0.0441557 0.420068} O685 1029 0.0 -1 8 {} O 0.0 {0.192087 0.038557 0.430815} O686 1030 0.0 -1 8 {} O 0.0 {0.191815 0.0164001 0.580006} O687 1031 0.0 -1 8 {} O 0.0 {0.181398 0.0166464 0.590958} O688 1032 0.0 -1 14 {} Si 0.0 {0.186746 0.0184432 0.626248} Si345 1033 0.0 -1 14 {} Si 0.0 {0.19685 0.0201388 0.888256} Si346 1034 0.0 -1 14 {} Si 0.0 {0.186451 0.0419313 0.714865} Si347 1035 0.0 -1 14 {} Si 0.0 {0.196552 0.0441519 0.803903} Si348 1036 0.0 -1 8 {} O 0.0 {0.186277 0.0090574 0.683102} O689 1037 0.0 -1 8 {} O 0.0 {0.19783 0.0332782 0.853311} O690 1038 0.0 -1 8 {} O 0.0 {0.186839 0.0328282 0.654589} O691 1039 0.0 -1 8 {} O 0.0 {0.195579 0.0570265 0.840915} O692 1040 0.0 -1 8 {} O 0.0 {0.201479 0.0469486 0.760683} O693 1041 0.0 -1 8 {} O 0.0 {0.19137 0.0408633 0.761047} O694 1042 0.0 -1 8 {} O 0.0 {0.191883 0.020332 0.929466} O695 1043 0.0 -1 8 {} O 0.0 {0.182061 0.016212 0.905177} O696 1044 0.0 -1 14 {} Si 0.0 {0.186493 0.0630188 0.977882} Si349 1045 0.0 -1 14 {} Si 0.0 {0.197433 0.0637239 0.206124} Si350 1046 0.0 -1 14 {} Si 0.0 {0.186571 0.0879207 0.0578801} Si351 1047 0.0 -1 14 {} Si 0.0 {0.197265 0.0890194 0.12348} Si352 1048 0.0 -1 8 {} O 0.0 {0.185862 0.0491062 0.00871441} O697 1049 0.0 -1 8 {} O 0.0 {0.198575 0.0768232 0.16491} O698 1050 0.0 -1 8 {} O 0.0 {0.186196 0.0735727 0.0336865} O699 1051 0.0 -1 8 {} O 0.0 {0.198381 0.101251 0.168894} O700 1052 0.0 -1 8 {} O 0.0 {0.201062 0.0910162 0.0640605} O701 1053 0.0 -1 8 {} O 0.0 {0.191293 0.0918237 0.103275} O702 1054 0.0 -1 8 {} O 0.0 {0.192588 0.0668738 0.248935} O703 1055 0.0 -1 8 {} O 0.0 {0.182489 0.0638779 0.257421} O704 1056 0.0 -1 14 {} Si 0.0 {0.187782 0.0646842 0.29589} Si353 1057 0.0 -1 14 {} Si 0.0 {0.196686 0.0649956 0.56616} Si354 1058 0.0 -1 14 {} Si 0.0 {0.187554 0.0884225 0.388539} Si355 1059 0.0 -1 14 {} Si 0.0 {0.197477 0.0894997 0.48134} Si356 1060 0.0 -1 8 {} O 0.0 {0.188612 0.0518546 0.333429} O705 1061 0.0 -1 8 {} O 0.0 {0.197001 0.0789587 0.537719} O706 1062 0.0 -1 8 {} O 0.0 {0.187026 0.0771414 0.341718} O707 1063 0.0 -1 8 {} O 0.0 {0.196859 0.104477 0.504834} O708 1064 0.0 -1 8 {} O 0.0 {0.202656 0.0885097 0.441543} O709 1065 0.0 -1 8 {} O 0.0 {0.192743 0.0874553 0.431109} O710 1066 0.0 -1 8 {} O 0.0 {0.191167 0.063145 0.599435} O711 1067 0.0 -1 8 {} O 0.0 {0.180855 0.0672371 0.602519} O712 1068 0.0 -1 14 {} Si 0.0 {0.186117 0.0673428 0.64092} Si357 1069 0.0 -1 14 {} Si 0.0 {0.196643 0.0677406 0.896021} Si358 1070 0.0 -1 14 {} Si 0.0 {0.186785 0.0928287 0.72073} Si359 1071 0.0 -1 14 {} Si 0.0 {0.196381 0.0916215 0.809517} Si360 1072 0.0 -1 8 {} O 0.0 {0.186017 0.0564267 0.693218} O713 1073 0.0 -1 8 {} O 0.0 {0.196292 0.0814829 0.864266} O714 1074 0.0 -1 8 {} O 0.0 {0.187884 0.0804161 0.672172} O715 1075 0.0 -1 8 {} O 0.0 {0.197449 0.105996 0.836221} O716 1076 0.0 -1 8 {} O 0.0 {0.20082 0.0886049 0.760261} O717 1077 0.0 -1 8 {} O 0.0 {0.190848 0.0918433 0.777372} O718 1078 0.0 -1 8 {} O 0.0 {0.191924 0.0660457 0.944234} O719 1079 0.0 -1 8 {} O 0.0 {0.181584 0.0662509 0.929045} O720 1080 0.0 -1 14 {} Si 0.0 {0.204945 0.966029 0.959408} Si361 1081 0.0 -1 14 {} Si 0.0 {0.215241 0.965066 0.21683} Si362 1082 0.0 -1 14 {} Si 0.0 {0.207125 0.99153 0.0286366} Si363 1083 0.0 -1 14 {} Si 0.0 {0.215333 0.990308 0.138427} Si364 1084 0.0 -1 8 {} O 0.0 {0.201386 0.956039 0.000976435} O721 1085 0.0 -1 8 {} O 0.0 {0.214226 0.979168 0.190544} O722 1086 0.0 -1 8 {} O 0.0 {0.205299 0.980773 0.98217} O723 1087 0.0 -1 8 {} O 0.0 {0.214881 0.00402733 0.172257} O724 1088 0.0 -1 8 {} O 0.0 {0.221139 0.988181 0.105114} O725 1089 0.0 -1 8 {} O 0.0 {0.210986 0.987934 0.0853072} O726 1090 0.0 -1 8 {} O 0.0 {0.210488 0.96182 0.268048} O727 1091 0.0 -1 8 {} O 0.0 {0.201138 0.967421 0.235553} O728 1092 0.0 -1 14 {} Si 0.0 {0.204769 0.965202 0.293858} Si365 1093 0.0 -1 14 {} Si 0.0 {0.215037 0.965674 0.557484} Si366 1094 0.0 -1 14 {} Si 0.0 {0.206017 0.988923 0.381749} Si367 1095 0.0 -1 14 {} Si 0.0 {0.215423 0.989625 0.473778} Si368 1096 0.0 -1 8 {} O 0.0 {0.201368 0.955413 0.33589} O729 1097 0.0 -1 8 {} O 0.0 {0.215424 0.97977 0.530686} O730 1098 0.0 -1 8 {} O 0.0 {0.205874 0.978122 0.328452} O731 1099 0.0 -1 8 {} O 0.0 {0.215474 0.00392635 0.500784} O732 1100 0.0 -1 8 {} O 0.0 {0.221621 0.988342 0.447154} O733 1101 0.0 -1 8 {} O 0.0 {0.211016 0.986037 0.425547} O734 1102 0.0 -1 8 {} O 0.0 {0.209619 0.964747 0.591671} O735 1103 0.0 -1 8 {} O 0.0 {0.19936 0.965902 0.606484} O736 1104 0.0 -1 14 {} Si 0.0 {0.205078 0.968737 0.639374} Si369 1105 0.0 -1 14 {} Si 0.0 {0.215442 0.961184 0.889001} Si370 1106 0.0 -1 14 {} Si 0.0 {0.205989 0.993667 0.718095} Si371 1107 0.0 -1 14 {} Si 0.0 {0.215808 0.986579 0.809679} Si372 1108 0.0 -1 8 {} O 0.0 {0.204097 0.960303 0.700214} O737 1109 0.0 -1 8 {} O 0.0 {0.21587 0.974882 0.858814} O738 1110 0.0 -1 8 {} O 0.0 {0.205893 0.983194 0.664983} O739 1111 0.0 -1 8 {} O 0.0 {0.215977 0.999805 0.848248} O740 1112 0.0 -1 8 {} O 0.0 {0.220367 0.98402 0.759946} O741 1113 0.0 -1 8 {} O 0.0 {0.210543 0.989217 0.770673} O742 1114 0.0 -1 8 {} O 0.0 {0.210744 0.961012 0.939156} O743 1115 0.0 -1 8 {} O 0.0 {0.201966 0.964257 0.893744} O744 1116 0.0 -1 14 {} Si 0.0 {0.207524 0.01777 0.964612} Si373 1117 0.0 -1 14 {} Si 0.0 {0.215878 0.015093 0.223368} Si374 1118 0.0 -1 14 {} Si 0.0 {0.206754 0.0390197 0.0635376} Si375 1119 0.0 -1 14 {} Si 0.0 {0.216414 0.0413466 0.152989} Si376 1120 0.0 -1 8 {} O 0.0 {0.208753 0.00452606 0.99884} O745 1121 0.0 -1 8 {} O 0.0 {0.215352 0.0293085 0.195295} O746 1122 0.0 -1 8 {} O 0.0 {0.208164 0.0288323 0.0127802} O747 1123 0.0 -1 8 {} O 0.0 {0.217643 0.0532509 0.194028} O748 1124 0.0 -1 8 {} O 0.0 {0.221214 0.0388558 0.10924} O749 1125 0.0 -1 8 {} O 0.0 {0.211762 0.0435253 0.104833} O750 1126 0.0 -1 8 {} O 0.0 {0.211939 0.0131533 0.279981} O751 1127 0.0 -1 8 {} O 0.0 {0.202029 0.0138021 0.261813} O752 1128 0.0 -1 14 {} Si 0.0 {0.206557 0.0147168 0.313171} Si377 1129 0.0 -1 14 {} Si 0.0 {0.217282 0.0144985 0.548395} Si378 1130 0.0 -1 14 {} Si 0.0 {0.207225 0.0408175 0.390395} Si379 1131 0.0 -1 14 {} Si 0.0 {0.217546 0.0391673 0.468092} Si380 1132 0.0 -1 8 {} O 0.0 {0.205597 0.00381334 0.361502} O753 1133 0.0 -1 8 {} O 0.0 {0.218944 0.0272612 0.512595} O754 1134 0.0 -1 8 {} O 0.0 {0.205805 0.0288295 0.346879} O755 1135 0.0 -1 8 {} O 0.0 {0.216751 0.0518315 0.5146} O756 1136 0.0 -1 8 {} O 0.0 {0.221843 0.0411023 0.415568} O757 1137 0.0 -1 8 {} O 0.0 {0.211952 0.036835 0.43614} O758 1138 0.0 -1 8 {} O 0.0 {0.212216 0.0189483 0.591484} O759 1139 0.0 -1 8 {} O 0.0 {0.201924 0.0159656 0.604857} O760 1140 0.0 -1 14 {} Si 0.0 {0.207389 0.0179286 0.637193} Si381 1141 0.0 -1 14 {} Si 0.0 {0.216999 0.0140382 0.877679} Si382 1142 0.0 -1 14 {} Si 0.0 {0.206683 0.04295 0.72752} Si383 1143 0.0 -1 14 {} Si 0.0 {0.217071 0.038703 0.799274} Si384 1144 0.0 -1 8 {} O 0.0 {0.208126 0.00649867 0.686275} O761 1145 0.0 -1 8 {} O 0.0 {0.218057 0.0243604 0.825692} O762 1146 0.0 -1 8 {} O 0.0 {0.206308 0.0308023 0.676557} O763 1147 0.0 -1 8 {} O 0.0 {0.218209 0.0494613 0.849622} O764 1148 0.0 -1 8 {} O 0.0 {0.221075 0.0410869 0.740273} O765 1149 0.0 -1 8 {} O 0.0 {0.211155 0.0396512 0.775167} O766 1150 0.0 -1 8 {} O 0.0 {0.211764 0.0190856 0.909856} O767 1151 0.0 -1 8 {} O 0.0 {0.201812 0.0165807 0.933758} O768 1152 0.0 -1 14 {} Si 0.0 {0.206819 0.062666 0.974817} Si385 1153 0.0 -1 14 {} Si 0.0 {0.217284 0.0682719 0.214168} Si386 1154 0.0 -1 14 {} Si 0.0 {0.206946 0.0900779 0.0393319} Si387 1155 0.0 -1 14 {} Si 0.0 {0.217056 0.0911676 0.116295} Si388 1156 0.0 -1 8 {} O 0.0 {0.205209 0.0523108 0.0288658} O769 1157 0.0 -1 8 {} O 0.0 {0.218049 0.0793604 0.160617} O770 1158 0.0 -1 8 {} O 0.0 {0.208106 0.0767488 0.00484455} O771 1159 0.0 -1 8 {} O 0.0 {0.21703 0.104098 0.15904} O772 1160 0.0 -1 8 {} O 0.0 {0.221623 0.092707 0.0673731} O773 1161 0.0 -1 8 {} O 0.0 {0.210866 0.0930281 0.0947562} O774 1162 0.0 -1 8 {} O 0.0 {0.211599 0.069375 0.252678} O775 1163 0.0 -1 8 {} O 0.0 {0.202197 0.0611786 0.252947} O776 1164 0.0 -1 14 {} Si 0.0 {0.207109 0.0632697 0.297134} Si389 1165 0.0 -1 14 {} Si 0.0 {0.216405 0.0654405 0.548099} Si390 1166 0.0 -1 14 {} Si 0.0 {0.20613 0.0879875 0.380492} Si391 1167 0.0 -1 14 {} Si 0.0 {0.216323 0.0892238 0.45554} Si392 1168 0.0 -1 8 {} O 0.0 {0.209084 0.0517633 0.342884} O777 1169 0.0 -1 8 {} O 0.0 {0.216181 0.0756457 0.492225} O778 1170 0.0 -1 8 {} O 0.0 {0.204981 0.0749013 0.344415} O779 1171 0.0 -1 8 {} O 0.0 {0.214128 0.0997822 0.50376} O780 1172 0.0 -1 8 {} O 0.0 {0.222252 0.0926445 0.437005} O781 1173 0.0 -1 8 {} O 0.0 {0.212255 0.0898647 0.399371} O782 1174 0.0 -1 8 {} O 0.0 {0.211607 0.0683959 0.593149} O783 1175 0.0 -1 8 {} O 0.0 {0.20131 0.0637903 0.613964} O784 1176 0.0 -1 14 {} Si 0.0 {0.207066 0.0667174 0.642186} Si393 1177 0.0 -1 14 {} Si 0.0 {0.216386 0.0618165 0.887664} Si394 1178 0.0 -1 14 {} Si 0.0 {0.206514 0.0921152 0.727866} Si395 1179 0.0 -1 14 {} Si 0.0 {0.21634 0.0883827 0.812723} Si396 1180 0.0 -1 8 {} O 0.0 {0.208582 0.0553852 0.688637} O785 1181 0.0 -1 8 {} O 0.0 {0.216223 0.0737452 0.841331} O786 1182 0.0 -1 8 {} O 0.0 {0.207098 0.0811578 0.672367} O787 1183 0.0 -1 8 {} O 0.0 {0.216411 0.0990464 0.871613} O788 1184 0.0 -1 8 {} O 0.0 {0.221154 0.0899734 0.766381} O789 1185 0.0 -1 8 {} O 0.0 {0.210923 0.0925787 0.78048} O790 1186 0.0 -1 8 {} O 0.0 {0.211198 0.0590083 0.927402} O791 1187 0.0 -1 8 {} O 0.0 {0.201856 0.0647906 0.930726} O792 1188 0.0 -1 14 {} Si 0.0 {0.225282 0.96252 0.973537} Si397 1189 0.0 -1 14 {} Si 0.0 {0.234304 0.96081 0.234249} Si398 1190 0.0 -1 14 {} Si 0.0 {0.225671 0.987181 0.0551148} Si399 1191 0.0 -1 14 {} Si 0.0 {0.235301 0.984859 0.139348} Si400 1192 0.0 -1 8 {} O 0.0 {0.225029 0.951254 0.0301059} O793 1193 0.0 -1 8 {} O 0.0 {0.234505 0.974338 0.191344} O794 1194 0.0 -1 8 {} O 0.0 {0.224444 0.976513 0.0018212} O795 1195 0.0 -1 8 {} O 0.0 {0.234649 0.998864 0.17813} O796 1196 0.0 -1 8 {} O 0.0 {0.240988 0.982359 0.111103} O797 1197 0.0 -1 8 {} O 0.0 {0.230877 0.983425 0.08888} O798 1198 0.0 -1 8 {} O 0.0 {0.230026 0.960863 0.287806} O799 1199 0.0 -1 8 {} O 0.0 {0.220456 0.965162 0.25485} O800 1200 0.0 -1 14 {} Si 0.0 {0.224284 0.964327 0.314333} Si401 1201 0.0 -1 14 {} Si 0.0 {0.23485 0.963757 0.544069} Si402 1202 0.0 -1 14 {} Si 0.0 {0.225942 0.989755 0.39372} Si403 1203 0.0 -1 14 {} Si 0.0 {0.236236 0.98943 0.473796} Si404 1204 0.0 -1 8 {} O 0.0 {0.22281 0.952898 0.360276} O801 1205 0.0 -1 8 {} O 0.0 {0.234955 0.978262 0.522363} O802 1206 0.0 -1 8 {} O 0.0 {0.224948 0.978406 0.347246} O803 1207 0.0 -1 8 {} O 0.0 {0.236877 0.00449476 0.500224} O804 1208 0.0 -1 8 {} O 0.0 {0.241685 0.98539 0.446207} O805 1209 0.0 -1 8 {} O 0.0 {0.231658 0.990397 0.422928} O806 1210 0.0 -1 8 {} O 0.0 {0.228961 0.961033 0.572071} O807 1211 0.0 -1 8 {} O 0.0 {0.219336 0.961877 0.606818} O808 1212 0.0 -1 14 {} Si 0.0 {0.225209 0.963165 0.630598} Si405 1213 0.0 -1 14 {} Si 0.0 {0.23541 0.960744 0.893351} Si406 1214 0.0 -1 14 {} Si 0.0 {0.225783 0.986482 0.721137} Si407 1215 0.0 -1 14 {} Si 0.0 {0.235055 0.986725 0.820582} Si408 1216 0.0 -1 8 {} O 0.0 {0.2259 0.95224 0.682346} O809 1217 0.0 -1 8 {} O 0.0 {0.234946 0.975389 0.8715} O810 1218 0.0 -1 8 {} O 0.0 {0.226371 0.976265 0.66723} O811 1219 0.0 -1 8 {} O 0.0 {0.23499 4.47844e-005 0.859979} O812 1220 0.0 -1 8 {} O 0.0 {0.240315 0.988086 0.778343} O813 1221 0.0 -1 8 {} O 0.0 {0.230325 0.984695 0.772} O814 1222 0.0 -1 8 {} O 0.0 {0.231039 0.958092 0.945357} O815 1223 0.0 -1 8 {} O 0.0 {0.22064 0.959093 0.927086} O816 1224 0.0 -1 14 {} Si 0.0 {0.226226 0.013583 0.976927} Si409 1225 0.0 -1 14 {} Si 0.0 {0.236509 0.00948514 0.22829} Si410 1226 0.0 -1 14 {} Si 0.0 {0.226069 0.0377852 0.0603394} Si411 1227 0.0 -1 14 {} Si 0.0 {0.236311 0.0362743 0.143173} Si412 1228 0.0 -1 8 {} O 0.0 {0.226723 0.000350659 0.0162798} O817 1229 0.0 -1 8 {} O 0.0 {0.23654 0.0236427 0.188885} O818 1230 0.0 -1 8 {} O 0.0 {0.224737 0.0240186 0.0264828} O819 1231 0.0 -1 8 {} O 0.0 {0.23467 0.0494761 0.178631} O820 1232 0.0 -1 8 {} O 0.0 {0.241422 0.0395488 0.10659} O821 1233 0.0 -1 8 {} O 0.0 {0.231346 0.0340122 0.0976527} O822 1234 0.0 -1 8 {} O 0.0 {0.232024 0.00970257 0.279487} O823 1235 0.0 -1 8 {} O 0.0 {0.221644 0.0130701 0.251629} O824 1236 0.0 -1 14 {} Si 0.0 {0.226243 0.0124598 0.30181} Si413 1237 0.0 -1 14 {} Si 0.0 {0.236077 0.0136526 0.558645} Si414 1238 0.0 -1 14 {} Si 0.0 {0.226919 0.0395982 0.372075} Si415 1239 0.0 -1 14 {} Si 0.0 {0.23585 0.0383171 0.472119} Si416 1240 0.0 -1 8 {} O 0.0 {0.224607 0.00286269 0.356863} O825 1241 0.0 -1 8 {} O 0.0 {0.234527 0.0270138 0.523983} O826 1242 0.0 -1 8 {} O 0.0 {0.226029 0.0266298 0.335044} O827 1243 0.0 -1 8 {} O 0.0 {0.235505 0.0521731 0.50682} O828 1244 0.0 -1 8 {} O 0.0 {0.241659 0.0363555 0.448354} O829 1245 0.0 -1 8 {} O 0.0 {0.231912 0.0386585 0.415189} O830 1246 0.0 -1 8 {} O 0.0 {0.231701 0.00844245 0.605072} O831 1247 0.0 -1 8 {} O 0.0 {0.221874 0.00981526 0.593426} O832 1248 0.0 -1 14 {} Si 0.0 {0.226348 0.0112492 0.643638} Si417 1249 0.0 -1 14 {} Si 0.0 {0.236144 0.0135508 0.89332} Si418 1250 0.0 -1 14 {} Si 0.0 {0.226432 0.0392435 0.704234} Si419 1251 0.0 -1 14 {} Si 0.0 {0.23594 0.0375194 0.799081} Si420 1252 0.0 -1 8 {} O 0.0 {0.225703 0.00133745 0.700053} O833 1253 0.0 -1 8 {} O 0.0 {0.23538 0.0253499 0.84577} O834 1254 0.0 -1 8 {} O 0.0 {0.226767 0.025043 0.675675} O835 1255 0.0 -1 8 {} O 0.0 {0.237535 0.0490851 0.842848} O836 1256 0.0 -1 8 {} O 0.0 {0.240765 0.0348004 0.752783} O837 1257 0.0 -1 8 {} O 0.0 {0.231019 0.0407661 0.754249} O838 1258 0.0 -1 8 {} O 0.0 {0.231572 0.0162127 0.943604} O839 1259 0.0 -1 8 {} O 0.0 {0.221192 0.0126561 0.932717} O840 1260 0.0 -1 14 {} Si 0.0 {0.226909 0.0615889 0.970662} Si421 1261 0.0 -1 14 {} Si 0.0 {0.23597 0.0626049 0.211665} Si422 1262 0.0 -1 14 {} Si 0.0 {0.227351 0.0892819 0.0403144} Si423 1263 0.0 -1 14 {} Si 0.0 {0.236918 0.0877464 0.135516} Si424 1264 0.0 -1 8 {} O 0.0 {0.22705 0.0487727 0.00877336} O841 1265 0.0 -1 8 {} O 0.0 {0.2376 0.0735432 0.164104} O842 1266 0.0 -1 8 {} O 0.0 {0.227968 0.0749862 0.0116415} O843 1267 0.0 -1 8 {} O 0.0 {0.236887 0.0978845 0.191509} O844 1268 0.0 -1 8 {} O 0.0 {0.241185 0.0901521 0.0816593} O845 1269 0.0 -1 8 {} O 0.0 {0.231532 0.0896415 0.0959723} O846 1270 0.0 -1 8 {} O 0.0 {0.231542 0.0680568 0.25983} O847 1271 0.0 -1 8 {} O 0.0 {0.221854 0.0720246 0.262316} O848 1272 0.0 -1 14 {} Si 0.0 {0.226567 0.066509 0.304658} Si425 1273 0.0 -1 14 {} Si 0.0 {0.236994 0.0648825 0.546551} Si426 1274 0.0 -1 14 {} Si 0.0 {0.227077 0.0911755 0.393931} Si427 1275 0.0 -1 14 {} Si 0.0 {0.237984 0.0881666 0.457513} Si428 1276 0.0 -1 8 {} O 0.0 {0.226731 0.0525085 0.330769} O849 1277 0.0 -1 8 {} O 0.0 {0.238788 0.076122 0.502894} O850 1278 0.0 -1 8 {} O 0.0 {0.226879 0.0770974 0.361156} O851 1279 0.0 -1 8 {} O 0.0 {0.240208 0.10157 0.488386} O852 1280 0.0 -1 8 {} O 0.0 {0.241791 0.0868539 0.396289} O853 1281 0.0 -1 8 {} O 0.0 {0.23228 0.0909463 0.433418} O854 1282 0.0 -1 8 {} O 0.0 {0.231968 0.0690391 0.584465} O855 1283 0.0 -1 8 {} O 0.0 {0.221695 0.0666928 0.58465} O856 1284 0.0 -1 14 {} Si 0.0 {0.227058 0.0646629 0.624727} Si429 1285 0.0 -1 14 {} Si 0.0 {0.236815 0.0604969 0.891331} Si430 1286 0.0 -1 14 {} Si 0.0 {0.226271 0.086469 0.729129} Si431 1287 0.0 -1 14 {} Si 0.0 {0.236804 0.0858994 0.809326} Si432 1288 0.0 -1 8 {} O 0.0 {0.226737 0.0499426 0.650062} O857 1289 0.0 -1 8 {} O 0.0 {0.237736 0.0738106 0.851285} O858 1290 0.0 -1 8 {} O 0.0 {0.226243 0.0742159 0.683242} O859 1291 0.0 -1 8 {} O 0.0 {0.23734 0.0997484 0.849239} O860 1292 0.0 -1 8 {} O 0.0 {0.240916 0.086016 0.755945} O861 1293 0.0 -1 8 {} O 0.0 {0.231241 0.0858827 0.775196} O862 1294 0.0 -1 8 {} O 0.0 {0.231104 0.0615751 0.917344} O863 1295 0.0 -1 8 {} O 0.0 {0.221282 0.0635777 0.939483} O864 1296 0.0 -1 14 {} Si 0.0 {0.245544 0.959786 0.973669} Si433 1297 0.0 -1 14 {} Si 0.0 {0.25511 0.95939 0.215258} Si434 1298 0.0 -1 14 {} Si 0.0 {0.244997 0.985047 0.0575267} Si435 1299 0.0 -1 14 {} Si 0.0 {0.255214 0.984545 0.135671} Si436 1300 0.0 -1 8 {} O 0.0 {0.244628 0.948397 0.0250081} O865 1301 0.0 -1 8 {} O 0.0 {0.254382 0.971187 0.165704} O866 1302 0.0 -1 8 {} O 0.0 {0.245159 0.974345 0.007133} O867 1303 0.0 -1 8 {} O 0.0 {0.25511 0.994953 0.19209} O868 1304 0.0 -1 8 {} O 0.0 {0.260669 0.984782 0.0998779} O869 1305 0.0 -1 8 {} O 0.0 {0.250768 0.986021 0.0868508} O870 1306 0.0 -1 8 {} O 0.0 {0.250742 0.958795 0.267773} O871 1307 0.0 -1 8 {} O 0.0 {0.240108 0.960462 0.264699} O872 1308 0.0 -1 14 {} Si 0.0 {0.24531 0.958327 0.309194} Si437 1309 0.0 -1 14 {} Si 0.0 {0.254151 0.960887 0.580625} Si438 1310 0.0 -1 14 {} Si 0.0 {0.246479 0.982269 0.395499} Si439 1311 0.0 -1 14 {} Si 0.0 {0.256212 0.98389 0.47892} Si440 1312 0.0 -1 8 {} O 0.0 {0.244553 0.944014 0.335032} O873 1313 0.0 -1 8 {} O 0.0 {0.254814 0.974241 0.538483} O874 1314 0.0 -1 8 {} O 0.0 {0.245086 0.968211 0.36862} O875 1315 0.0 -1 8 {} O 0.0 {0.256598 0.998307 0.506977} O876 1316 0.0 -1 8 {} O 0.0 {0.261654 0.980036 0.450119} O877 1317 0.0 -1 8 {} O 0.0 {0.252046 0.983287 0.426913} O878 1318 0.0 -1 8 {} O 0.0 {0.249098 0.959197 0.621799} O879 1319 0.0 -1 8 {} O 0.0 {0.239406 0.96061 0.593776} O880 1320 0.0 -1 14 {} Si 0.0 {0.243445 0.963897 0.645764} Si441 1321 0.0 -1 14 {} Si 0.0 {0.255681 0.958959 0.8894} Si442 1322 0.0 -1 14 {} Si 0.0 {0.244935 0.989238 0.729822} Si443 1323 0.0 -1 14 {} Si 0.0 {0.254825 0.985077 0.809315} Si444 1324 0.0 -1 8 {} O 0.0 {0.241449 0.955267 0.702894} O881 1325 0.0 -1 8 {} O 0.0 {0.255133 0.97122 0.839849} O882 1326 0.0 -1 8 {} O 0.0 {0.243734 0.977807 0.678907} O883 1327 0.0 -1 8 {} O 0.0 {0.254908 0.995815 0.863365} O884 1328 0.0 -1 8 {} O 0.0 {0.260336 0.986003 0.771789} O885 1329 0.0 -1 8 {} O 0.0 {0.250158 0.985541 0.760874} O886 1330 0.0 -1 8 {} O 0.0 {0.251331 0.957808 0.94294} O887 1331 0.0 -1 8 {} O 0.0 {0.241001 0.958484 0.922968} O888 1332 0.0 -1 14 {} Si 0.0 {0.245297 0.0104617 0.984496} Si445 1333 0.0 -1 14 {} Si 0.0 {0.25651 0.00669126 0.235939} Si446 1334 0.0 -1 14 {} Si 0.0 {0.246495 0.0360334 0.0666651} Si447 1335 0.0 -1 14 {} Si 0.0 {0.256861 0.0315079 0.147071} Si448 1336 0.0 -1 8 {} O 0.0 {0.24355 0.998257 0.0225575} O889 1337 0.0 -1 8 {} O 0.0 {0.256109 0.0190433 0.190368} O890 1338 0.0 -1 8 {} O 0.0 {0.245176 0.0225496 0.0339521} O891 1339 0.0 -1 8 {} O 0.0 {0.25751 0.0442502 0.18791} O892 1340 0.0 -1 8 {} O 0.0 {0.261319 0.0291013 0.0973007} O893 1341 0.0 -1 8 {} O 0.0 {0.251526 0.0336378 0.112718} O894 1342 0.0 -1 8 {} O 0.0 {0.252184 0.00831764 0.28645} O895 1343 0.0 -1 8 {} O 0.0 {0.241893 0.00667537 0.258051} O896 1344 0.0 -1 14 {} Si 0.0 {0.246316 0.00786078 0.311077} Si449 1345 0.0 -1 14 {} Si 0.0 {0.255944 0.00916215 0.558864} Si450 1346 0.0 -1 14 {} Si 0.0 {0.245723 0.0335977 0.393098} Si451 1347 0.0 -1 14 {} Si 0.0 {0.256168 0.034448 0.475688} Si452 1348 0.0 -1 8 {} O 0.0 {0.245649 0.99393 0.346914} O897 1349 0.0 -1 8 {} O 0.0 {0.255469 0.022701 0.523693} O898 1350 0.0 -1 8 {} O 0.0 {0.245266 0.0196533 0.356943} O899 1351 0.0 -1 8 {} O 0.0 {0.256053 0.0491275 0.503291} O900 1352 0.0 -1 8 {} O 0.0 {0.261965 0.0332665 0.451369} O901 1353 0.0 -1 8 {} O 0.0 {0.251786 0.0344017 0.421479} O902 1354 0.0 -1 8 {} O 0.0 {0.250997 0.00657224 0.601106} O903 1355 0.0 -1 8 {} O 0.0 {0.241557 0.0156242 0.598236} O904 1356 0.0 -1 14 {} Si 0.0 {0.246295 0.0133612 0.641626} Si453 1357 0.0 -1 14 {} Si 0.0 {0.255694 0.00953574 0.899994} Si454 1358 0.0 -1 14 {} Si 0.0 {0.246375 0.0370187 0.728462} Si455 1359 0.0 -1 14 {} Si 0.0 {0.256254 0.0343533 0.816787} Si456 1360 0.0 -1 8 {} O 0.0 {0.244738 0.00238593 0.693776} O905 1361 0.0 -1 8 {} O 0.0 {0.254329 0.0210263 0.853245} O906 1362 0.0 -1 8 {} O 0.0 {0.247991 0.0262641 0.675538} O907 1363 0.0 -1 8 {} O 0.0 {0.25796 0.0453519 0.86352} O908 1364 0.0 -1 8 {} O 0.0 {0.260729 0.0314474 0.767231} O909 1365 0.0 -1 8 {} O 0.0 {0.250947 0.0376281 0.780538} O910 1366 0.0 -1 8 {} O 0.0 {0.25112 0.0104018 0.953136} O911 1367 0.0 -1 8 {} O 0.0 {0.241517 0.0127466 0.926546} O912 1368 0.0 -1 14 {} Si 0.0 {0.246849 0.0595886 0.97492} Si457 1369 0.0 -1 14 {} Si 0.0 {0.256196 0.0580698 0.22275} Si458 1370 0.0 -1 14 {} Si 0.0 {0.246926 0.0852156 0.0546456} Si459 1371 0.0 -1 14 {} Si 0.0 {0.25582 0.084638 0.151457} Si460 1372 0.0 -1 8 {} O 0.0 {0.247641 0.0471879 0.0178196} O913 1373 0.0 -1 8 {} O 0.0 {0.255853 0.0702047 0.174556} O914 1374 0.0 -1 8 {} O 0.0 {0.247744 0.070982 0.0225182} O915 1375 0.0 -1 8 {} O 0.0 {0.255671 0.0933449 0.212941} O916 1376 0.0 -1 8 {} O 0.0 {0.260621 0.0869389 0.105983} O917 1377 0.0 -1 8 {} O 0.0 {0.250918 0.0887176 0.108149} O918 1378 0.0 -1 8 {} O 0.0 {0.250406 0.0548172 0.250435} O919 1379 0.0 -1 8 {} O 0.0 {0.240891 0.0610965 0.257952} O920 1380 0.0 -1 14 {} Si 0.0 {0.245813 0.0561551 0.299008} Si461 1381 0.0 -1 14 {} Si 0.0 {0.256555 0.0602554 0.553021} Si462 1382 0.0 -1 14 {} Si 0.0 {0.247392 0.0825379 0.372084} Si463 1383 0.0 -1 14 {} Si 0.0 {0.25703 0.083375 0.463708} Si464 1384 0.0 -1 8 {} O 0.0 {0.244873 0.0435631 0.337762} O921 1385 0.0 -1 8 {} O 0.0 {0.258366 0.0724037 0.513678} O922 1386 0.0 -1 8 {} O 0.0 {0.247587 0.0685413 0.337252} O923 1387 0.0 -1 8 {} O 0.0 {0.257649 0.0972551 0.495922} O924 1388 0.0 -1 8 {} O 0.0 {0.261613 0.0841992 0.412082} O925 1389 0.0 -1 8 {} O 0.0 {0.25169 0.0825403 0.426126} O926 1390 0.0 -1 8 {} O 0.0 {0.251058 0.0624084 0.586777} O927 1391 0.0 -1 8 {} O 0.0 {0.240851 0.0606782 0.602981} O928 1392 0.0 -1 14 {} Si 0.0 {0.246306 0.0622244 0.635604} Si465 1393 0.0 -1 14 {} Si 0.0 {0.256862 0.0588812 0.897419} Si466 1394 0.0 -1 14 {} Si 0.0 {0.246773 0.0865043 0.727191} Si467 1395 0.0 -1 14 {} Si 0.0 {0.25704 0.0829269 0.802484} Si468 1396 0.0 -1 8 {} O 0.0 {0.246114 0.0511194 0.689187} O929 1397 0.0 -1 8 {} O 0.0 {0.257413 0.0699785 0.845302} O930 1398 0.0 -1 8 {} O 0.0 {0.247132 0.0749425 0.676146} O931 1399 0.0 -1 8 {} O 0.0 {0.257775 0.0940007 0.856837} O932 1400 0.0 -1 8 {} O 0.0 {0.261752 0.0840273 0.754158} O933 1401 0.0 -1 8 {} O 0.0 {0.251343 0.0847437 0.775678} O934 1402 0.0 -1 8 {} O 0.0 {0.251267 0.0606542 0.925138} O935 1403 0.0 -1 8 {} O 0.0 {0.241051 0.0599123 0.945301} O936 1404 0.0 -1 14 {} Si 0.0 {0.265723 0.957684 0.970338} Si469 1405 0.0 -1 14 {} Si 0.0 {0.27568 0.956363 0.224305} Si470 1406 0.0 -1 14 {} Si 0.0 {0.265714 0.982253 0.0580215} Si471 1407 0.0 -1 14 {} Si 0.0 {0.275255 0.98156 0.146532} Si472 1408 0.0 -1 8 {} O 0.0 {0.265064 0.942459 0.991282} O937 1409 0.0 -1 8 {} O 0.0 {0.274036 0.967432 0.175674} O938 1410 0.0 -1 8 {} O 0.0 {0.264966 0.96853 0.0241852} O939 1411 0.0 -1 8 {} O 0.0 {0.275025 0.99274 0.201387} O940 1412 0.0 -1 8 {} O 0.0 {0.280742 0.979661 0.106601} O941 1413 0.0 -1 8 {} O 0.0 {0.271019 0.983467 0.0926696} O942 1414 0.0 -1 8 {} O 0.0 {0.270898 0.956093 0.272828} O943 1415 0.0 -1 8 {} O 0.0 {0.260549 0.96138 0.251887} O944 1416 0.0 -1 14 {} Si 0.0 {0.26508 0.958514 0.297842} Si473 1417 0.0 -1 14 {} Si 0.0 {0.275066 0.957636 0.566991} Si474 1418 0.0 -1 14 {} Si 0.0 {0.266149 0.980591 0.40006} Si475 1419 0.0 -1 14 {} Si 0.0 {0.276416 0.983173 0.485789} Si476 1420 0.0 -1 8 {} O 0.0 {0.263995 0.94463 0.327502} O945 1421 0.0 -1 8 {} O 0.0 {0.276112 0.972216 0.53772} O946 1422 0.0 -1 8 {} O 0.0 {0.265455 0.968053 0.355448} O947 1423 0.0 -1 8 {} O 0.0 {0.275103 0.996735 0.514978} O948 1424 0.0 -1 8 {} O 0.0 {0.28171 0.980906 0.451021} O949 1425 0.0 -1 8 {} O 0.0 {0.27167 0.979749 0.439962} O950 1426 0.0 -1 8 {} O 0.0 {0.270245 0.958605 0.614565} O951 1427 0.0 -1 8 {} O 0.0 {0.259844 0.956573 0.60419} O952 1428 0.0 -1 14 {} Si 0.0 {0.265011 0.955695 0.647338} Si477 1429 0.0 -1 14 {} Si 0.0 {0.275696 0.955962 0.887444} Si478 1430 0.0 -1 14 {} Si 0.0 {0.264884 0.981285 0.722831} Si479 1431 0.0 -1 14 {} Si 0.0 {0.275455 0.980628 0.801575} Si480 1432 0.0 -1 8 {} O 0.0 {0.265298 0.942247 0.689236} O953 1433 0.0 -1 8 {} O 0.0 {0.276067 0.968626 0.845123} O954 1434 0.0 -1 8 {} O 0.0 {0.264278 0.966851 0.698615} O955 1435 0.0 -1 8 {} O 0.0 {0.277263 0.993469 0.84513} O956 1436 0.0 -1 8 {} O 0.0 {0.279815 0.98034 0.747695} O957 1437 0.0 -1 8 {} O 0.0 {0.269956 0.982209 0.767444} O958 1438 0.0 -1 8 {} O 0.0 {0.271163 0.957192 0.936074} O959 1439 0.0 -1 8 {} O 0.0 {0.261488 0.959783 0.918901} O960 1440 0.0 -1 14 {} Si 0.0 {0.266373 0.00734643 0.966309} Si481 1441 0.0 -1 14 {} Si 0.0 {0.276557 0.00618627 0.23433} Si482 1442 0.0 -1 14 {} Si 0.0 {0.266534 0.0317035 0.0604342} Si483 1443 0.0 -1 14 {} Si 0.0 {0.276648 0.0307046 0.145361} Si484 1444 0.0 -1 8 {} O 0.0 {0.265819 0.994161 0.00489394} O961 1445 0.0 -1 8 {} O 0.0 {0.275262 0.0188751 0.190258} O962 1446 0.0 -1 8 {} O 0.0 {0.266847 0.0197336 0.0137144} O963 1447 0.0 -1 8 {} O 0.0 {0.278383 0.0423924 0.191857} O964 1448 0.0 -1 8 {} O 0.0 {0.281782 0.028499 0.106388} O965 1449 0.0 -1 8 {} O 0.0 {0.27152 0.0329633 0.103765} O966 1450 0.0 -1 8 {} O 0.0 {0.272548 0.00727744 0.290414} O967 1451 0.0 -1 8 {} O 0.0 {0.262188 0.00660723 0.269486} O968 1452 0.0 -1 14 {} Si 0.0 {0.266744 0.00624025 0.31608} Si485 1453 0.0 -1 14 {} Si 0.0 {0.276486 0.00881469 0.559848} Si486 1454 0.0 -1 14 {} Si 0.0 {0.266285 0.0328978 0.396616} Si487 1455 0.0 -1 14 {} Si 0.0 {0.27736 0.0335272 0.474427} Si488 1456 0.0 -1 8 {} O 0.0 {0.266219 0.993863 0.360212} O969 1457 0.0 -1 8 {} O 0.0 {0.275994 0.0228695 0.52276} O970 1458 0.0 -1 8 {} O 0.0 {0.266314 0.0179525 0.36597} O971 1459 0.0 -1 8 {} O 0.0 {0.276685 0.0479863 0.505845} O972 1460 0.0 -1 8 {} O 0.0 {0.283004 0.0303578 0.448421} O973 1461 0.0 -1 8 {} O 0.0 {0.27264 0.034452 0.42106} O974 1462 0.0 -1 8 {} O 0.0 {0.271535 0.0100303 0.605677} O975 1463 0.0 -1 8 {} O 0.0 {0.260796 0.0101015 0.604684} O976 1464 0.0 -1 14 {} Si 0.0 {0.266099 0.00543482 0.640175} Si489 1465 0.0 -1 14 {} Si 0.0 {0.276735 0.00676739 0.883719} Si490 1466 0.0 -1 14 {} Si 0.0 {0.265867 0.0298062 0.72206} Si491 1467 0.0 -1 14 {} Si 0.0 {0.275947 0.0321675 0.808261} Si492 1468 0.0 -1 8 {} O 0.0 {0.265886 0.990706 0.663572} O977 1469 0.0 -1 8 {} O 0.0 {0.276668 0.0181412 0.836943} O978 1470 0.0 -1 8 {} O 0.0 {0.266073 0.0147394 0.701627} O979 1471 0.0 -1 8 {} O 0.0 {0.275354 0.0423874 0.867389} O980 1472 0.0 -1 8 {} O 0.0 {0.280948 0.0354721 0.770112} O981 1473 0.0 -1 8 {} O 0.0 {0.270397 0.0331056 0.770298} O982 1474 0.0 -1 8 {} O 0.0 {0.271218 0.00687793 0.919753} O983 1475 0.0 -1 8 {} O 0.0 {0.261409 0.0112603 0.927942} O984 1476 0.0 -1 14 {} Si 0.0 {0.266714 0.0588078 0.984474} Si493 1477 0.0 -1 14 {} Si 0.0 {0.276691 0.0552607 0.226178} Si494 1478 0.0 -1 14 {} Si 0.0 {0.266122 0.0830913 0.0724207} Si495 1479 0.0 -1 14 {} Si 0.0 {0.276841 0.0804566 0.139579} Si496 1480 0.0 -1 8 {} O 0.0 {0.265994 0.0450392 0.0260447} O985 1481 0.0 -1 8 {} O 0.0 {0.276707 0.0664671 0.174009} O986 1482 0.0 -1 8 {} O 0.0 {0.266144 0.0694515 0.0377783} O987 1483 0.0 -1 8 {} O 0.0 {0.278799 0.0923553 0.181967} O988 1484 0.0 -1 8 {} O 0.0 {0.281105 0.0809945 0.0869419} O989 1485 0.0 -1 8 {} O 0.0 {0.271109 0.0842544 0.11975} O990 1486 0.0 -1 8 {} O 0.0 {0.271102 0.0541578 0.262206} O991 1487 0.0 -1 8 {} O 0.0 {0.260905 0.0604013 0.269366} O992 1488 0.0 -1 14 {} Si 0.0 {0.265944 0.0552863 0.303214} Si497 1489 0.0 -1 14 {} Si 0.0 {0.275966 0.0590105 0.554143} Si498 1490 0.0 -1 14 {} Si 0.0 {0.266943 0.0815267 0.371421} Si499 1491 0.0 -1 14 {} Si 0.0 {0.276148 0.0828054 0.465797} Si500 1492 0.0 -1 8 {} O 0.0 {0.265141 0.0423202 0.340832} O993 1493 0.0 -1 8 {} O 0.0 {0.275257 0.0731855 0.526651} O994 1494 0.0 -1 8 {} O 0.0 {0.267227 0.06687 0.352247} O995 1495 0.0 -1 8 {} O 0.0 {0.277706 0.0974243 0.490056} O996 1496 0.0 -1 8 {} O 0.0 {0.28106 0.0794715 0.422319} O997 1497 0.0 -1 8 {} O 0.0 {0.271571 0.086264 0.414892} O998 1498 0.0 -1 8 {} O 0.0 {0.271046 0.0573261 0.600299} O999 1499 0.0 -1 8 {} O 0.0 {0.260845 0.0561776 0.602847} O1000 1500 0.0 -1 14 {} Si 0.0 {0.265955 0.0544205 0.641369} Si501 1501 0.0 -1 14 {} Si 0.0 {0.276276 0.0566228 0.898873} Si502 1502 0.0 -1 14 {} Si 0.0 {0.267073 0.079106 0.724667} Si503 1503 0.0 -1 14 {} Si 0.0 {0.277204 0.0794266 0.803484} Si504 1504 0.0 -1 8 {} O 0.0 {0.266386 0.0403674 0.666126} O1001 1505 0.0 -1 8 {} O 0.0 {0.275511 0.0670471 0.843196} O1002 1506 0.0 -1 8 {} O 0.0 {0.266411 0.0642309 0.699352} O1003 1507 0.0 -1 8 {} O 0.0 {0.278905 0.0918697 0.842628} O1004 1508 0.0 -1 8 {} O 0.0 {0.281893 0.0753138 0.755747} O1005 1509 0.0 -1 8 {} O 0.0 {0.272129 0.0830487 0.763429} O1006 1510 0.0 -1 8 {} O 0.0 {0.272088 0.0587798 0.950683} O1007 1511 0.0 -1 8 {} O 0.0 {0.261839 0.0617728 0.943125} O1008 1512 0.0 -1 14 {} Si 0.0 {0.285626 0.957969 0.975566} Si505 1513 0.0 -1 14 {} Si 0.0 {0.29654 0.956959 0.221837} Si506 1514 0.0 -1 14 {} Si 0.0 {0.285564 0.982053 0.0605482} Si507 1515 0.0 -1 14 {} Si 0.0 {0.296495 0.980273 0.132805} Si508 1516 0.0 -1 8 {} O 0.0 {0.285305 0.947101 0.0309697} O1009 1517 0.0 -1 8 {} O 0.0 {0.297219 0.966426 0.162847} O1010 1518 0.0 -1 8 {} O 0.0 {0.284775 0.971493 0.00619329} O1011 1519 0.0 -1 8 {} O 0.0 {0.295883 0.990394 0.186786} O1012 1520 0.0 -1 8 {} O 0.0 {0.30151 0.983062 0.0900384} O1013 1521 0.0 -1 8 {} O 0.0 {0.29103 0.980216 0.09401} O1014 1522 0.0 -1 8 {} O 0.0 {0.291618 0.961485 0.26557} O1015 1523 0.0 -1 8 {} O 0.0 {0.281207 0.958943 0.248772} O1016 1524 0.0 -1 14 {} Si 0.0 {0.286215 0.957736 0.295161} Si509 1525 0.0 -1 14 {} Si 0.0 {0.295783 0.953598 0.562541} Si510 1526 0.0 -1 14 {} Si 0.0 {0.286243 0.979151 0.401723} Si511 1527 0.0 -1 14 {} Si 0.0 {0.296134 0.97939 0.483582} Si512 1528 0.0 -1 8 {} O 0.0 {0.285747 0.942791 0.317696} O1017 1529 0.0 -1 8 {} O 0.0 {0.296387 0.964915 0.512402} O1018 1530 0.0 -1 8 {} O 0.0 {0.285654 0.966619 0.358007} O1019 1531 0.0 -1 8 {} O 0.0 {0.295146 0.990566 0.531556} O1020 1532 0.0 -1 8 {} O 0.0 {0.301881 0.979545 0.448349} O1021 1533 0.0 -1 8 {} O 0.0 {0.292003 0.979454 0.426857} O1022 1534 0.0 -1 8 {} O 0.0 {0.289921 0.955008 0.58764} O1023 1535 0.0 -1 8 {} O 0.0 {0.28005 0.953816 0.608065} O1024 1536 0.0 -1 14 {} Si 0.0 {0.285539 0.95366 0.63841} Si513 1537 0.0 -1 14 {} Si 0.0 {0.295168 0.955765 0.888018} Si514 1538 0.0 -1 14 {} Si 0.0 {0.285445 0.980075 0.721326} Si515 1539 0.0 -1 14 {} Si 0.0 {0.295873 0.980911 0.800027} Si516 1540 0.0 -1 8 {} O 0.0 {0.287292 0.942942 0.68971} O1025 1541 0.0 -1 8 {} O 0.0 {0.295285 0.967734 0.840564} O1026 1542 0.0 -1 8 {} O 0.0 {0.286199 0.965812 0.687265} O1027 1543 0.0 -1 8 {} O 0.0 {0.296696 0.993452 0.840205} O1028 1544 0.0 -1 8 {} O 0.0 {0.300514 0.977512 0.752775} O1029 1545 0.0 -1 8 {} O 0.0 {0.290343 0.981871 0.765175} O1030 1546 0.0 -1 8 {} O 0.0 {0.291276 0.957324 0.943236} O1031 1547 0.0 -1 8 {} O 0.0 {0.28124 0.954833 0.921549} O1032 1548 0.0 -1 14 {} Si 0.0 {0.286196 0.00653349 0.976547} Si517 1549 0.0 -1 14 {} Si 0.0 {0.296426 0.00367355 0.220874} Si518 1550 0.0 -1 14 {} Si 0.0 {0.286913 0.0313842 0.0619386} Si519 1551 0.0 -1 14 {} Si 0.0 {0.296853 0.0295419 0.14135} Si520 1552 0.0 -1 8 {} O 0.0 {0.284728 0.995369 0.0263171} O1033 1553 0.0 -1 8 {} O 0.0 {0.295534 0.0160721 0.175036} O1034 1554 0.0 -1 8 {} O 0.0 {0.287917 0.0182193 0.0213271} O1035 1555 0.0 -1 8 {} O 0.0 {0.296514 0.0391702 0.202351} O1036 1556 0.0 -1 8 {} O 0.0 {0.302117 0.0281036 0.101984} O1037 1557 0.0 -1 8 {} O 0.0 {0.292293 0.0343176 0.0982481} O1038 1558 0.0 -1 8 {} O 0.0 {0.292317 0.00417791 0.278988} O1039 1559 0.0 -1 8 {} O 0.0 {0.282431 0.00621463 0.258631} O1040 1560 0.0 -1 14 {} Si 0.0 {0.286628 0.00442594 0.311229} Si521 1561 0.0 -1 14 {} Si 0.0 {0.296296 0.00443 0.561181} Si522 1562 0.0 -1 14 {} Si 0.0 {0.287056 0.0299881 0.391767} Si523 1563 0.0 -1 14 {} Si 0.0 {0.297109 0.0278163 0.474088} Si524 1564 0.0 -1 8 {} O 0.0 {0.286231 0.991236 0.350662} O1041 1565 0.0 -1 8 {} O 0.0 {0.295635 0.0149141 0.509104} O1042 1566 0.0 -1 8 {} O 0.0 {0.286906 0.017031 0.354297} O1043 1567 0.0 -1 8 {} O 0.0 {0.298234 0.0393002 0.522882} O1044 1568 0.0 -1 8 {} O 0.0 {0.302572 0.025805 0.437339} O1045 1569 0.0 -1 8 {} O 0.0 {0.292846 0.0309275 0.421929} O1046 1570 0.0 -1 8 {} O 0.0 {0.291863 0.0069516 0.614604} O1047 1571 0.0 -1 8 {} O 0.0 {0.281797 0.00831523 0.597741} O1048 1572 0.0 -1 14 {} Si 0.0 {0.286272 0.00620009 0.64617} Si525 1573 0.0 -1 14 {} Si 0.0 {0.295619 0.00493474 0.889024} Si526 1574 0.0 -1 14 {} Si 0.0 {0.285791 0.0307684 0.726724} Si527 1575 0.0 -1 14 {} Si 0.0 {0.296352 0.0301756 0.806236} Si528 1576 0.0 -1 8 {} O 0.0 {0.285748 0.991083 0.670799} O1049 1577 0.0 -1 8 {} O 0.0 {0.294901 0.0187462 0.854628} O1050 1578 0.0 -1 8 {} O 0.0 {0.285633 0.0153374 0.70555} O1051 1579 0.0 -1 8 {} O 0.0 {0.297416 0.0439959 0.83618} O1052 1580 0.0 -1 8 {} O 0.0 {0.301139 0.0269991 0.761083} O1053 1581 0.0 -1 8 {} O 0.0 {0.291252 0.030989 0.765908} O1054 1582 0.0 -1 8 {} O 0.0 {0.290546 0.00248447 0.930195} O1055 1583 0.0 -1 8 {} O 0.0 {0.280548 0.00793656 0.938792} O1056 1584 0.0 -1 14 {} Si 0.0 {0.28682 0.0545583 0.971851} Si529 1585 0.0 -1 14 {} Si 0.0 {0.296453 0.0529815 0.233393} Si530 1586 0.0 -1 14 {} Si 0.0 {0.287076 0.0797509 0.0623061} Si531 1587 0.0 -1 14 {} Si 0.0 {0.296886 0.0781996 0.146748} Si532 1588 0.0 -1 8 {} O 0.0 {0.285343 0.0425705 0.0146144} O1057 1589 0.0 -1 8 {} O 0.0 {0.297124 0.0637858 0.180356} O1058 1590 0.0 -1 8 {} O 0.0 {0.287887 0.0674781 0.0152528} O1059 1591 0.0 -1 8 {} O 0.0 {0.297596 0.0896884 0.195604} O1060 1592 0.0 -1 8 {} O 0.0 {0.301033 0.0782911 0.0930474} O1061 1593 0.0 -1 8 {} O 0.0 {0.291089 0.0798432 0.118166} O1062 1594 0.0 -1 8 {} O 0.0 {0.290904 0.054033 0.260812} O1063 1595 0.0 -1 8 {} O 0.0 {0.280886 0.059282 0.277333} O1064 1596 0.0 -1 14 {} Si 0.0 {0.286239 0.0551317 0.310201} Si533 1597 0.0 -1 14 {} Si 0.0 {0.297178 0.0525251 0.555808} Si534 1598 0.0 -1 14 {} Si 0.0 {0.286901 0.0790083 0.392888} Si535 1599 0.0 -1 14 {} Si 0.0 {0.296757 0.07765 0.474343} Si536 1600 0.0 -1 8 {} O 0.0 {0.285453 0.0413885 0.3469} O1065 1601 0.0 -1 8 {} O 0.0 {0.297264 0.0634114 0.505014} O1066 1602 0.0 -1 8 {} O 0.0 {0.287688 0.0657978 0.359101} O1067 1603 0.0 -1 8 {} O 0.0 {0.297475 0.0884328 0.529362} O1068 1604 0.0 -1 8 {} O 0.0 {0.301235 0.0806167 0.426215} O1069 1605 0.0 -1 8 {} O 0.0 {0.291041 0.0803802 0.445292} O1070 1606 0.0 -1 8 {} O 0.0 {0.291169 0.0527882 0.584655} O1071 1607 0.0 -1 8 {} O 0.0 {0.281291 0.0587018 0.596334} O1072 1608 0.0 -1 14 {} Si 0.0 {0.286443 0.0538763 0.631623} Si537 1609 0.0 -1 14 {} Si 0.0 {0.297154 0.0546165 0.893434} Si538 1610 0.0 -1 14 {} Si 0.0 {0.287383 0.0778452 0.723682} Si539 1611 0.0 -1 14 {} Si 0.0 {0.296852 0.080215 0.819468} Si540 1612 0.0 -1 8 {} O 0.0 {0.286416 0.0406786 0.669786} O1073 1613 0.0 -1 8 {} O 0.0 {0.297319 0.0685354 0.865301} O1074 1614 0.0 -1 8 {} O 0.0 {0.288467 0.0653247 0.675501} O1075 1615 0.0 -1 8 {} O 0.0 {0.296927 0.0950133 0.846829} O1076 1616 0.0 -1 8 {} O 0.0 {0.301172 0.0794481 0.763891} O1077 1617 0.0 -1 8 {} O 0.0 {0.291914 0.0817981 0.776612} O1078 1618 0.0 -1 8 {} O 0.0 {0.292048 0.0524555 0.932683} O1079 1619 0.0 -1 8 {} O 0.0 {0.281991 0.0569075 0.925707} O1080 1620 0.0 -1 14 {} Si 0.0 {0.305809 0.955338 0.957652} Si541 1621 0.0 -1 14 {} Si 0.0 {0.316441 0.953185 0.230866} Si542 1622 0.0 -1 14 {} Si 0.0 {0.30627 0.979316 0.0427427} Si543 1623 0.0 -1 14 {} Si 0.0 {0.316237 0.974646 0.127544} Si544 1624 0.0 -1 8 {} O 0.0 {0.305785 0.940698 0.988368} O1081 1625 0.0 -1 8 {} O 0.0 {0.315884 0.962547 0.172802} O1082 1626 0.0 -1 8 {} O 0.0 {0.304847 0.966381 0.00878279} O1083 1627 0.0 -1 8 {} O 0.0 {0.316318 0.986868 0.171152} O1084 1628 0.0 -1 8 {} O 0.0 {0.320971 0.973323 0.0820754} O1085 1629 0.0 -1 8 {} O 0.0 {0.310981 0.975866 0.0874659} O1086 1630 0.0 -1 8 {} O 0.0 {0.312102 0.954521 0.288602} O1087 1631 0.0 -1 8 {} O 0.0 {0.301647 0.954339 0.262151} O1088 1632 0.0 -1 14 {} Si 0.0 {0.306378 0.953209 0.311793} Si545 1633 0.0 -1 14 {} Si 0.0 {0.315639 0.951845 0.545393} Si546 1634 0.0 -1 14 {} Si 0.0 {0.306001 0.978246 0.392118} Si547 1635 0.0 -1 14 {} Si 0.0 {0.316939 0.976711 0.467209} Si548 1636 0.0 -1 8 {} O 0.0 {0.305813 0.938795 0.345101} O1089 1637 0.0 -1 8 {} O 0.0 {0.31678 0.96195 0.490447} O1090 1638 0.0 -1 8 {} O 0.0 {0.305182 0.964206 0.360873} O1091 1639 0.0 -1 8 {} O 0.0 {0.316391 0.986222 0.525675} O1092 1640 0.0 -1 8 {} O 0.0 {0.322293 0.97927 0.429011} O1093 1641 0.0 -1 8 {} O 0.0 {0.311831 0.978212 0.425869} O1094 1642 0.0 -1 8 {} O 0.0 {0.310318 0.95405 0.579063} O1095 1643 0.0 -1 8 {} O 0.0 {0.300157 0.953756 0.612852} O1096 1644 0.0 -1 14 {} Si 0.0 {0.3062 0.957113 0.632289} Si549 1645 0.0 -1 14 {} Si 0.0 {0.316276 0.956052 0.881496} Si550 1646 0.0 -1 14 {} Si 0.0 {0.305932 0.981396 0.722991} Si551 1647 0.0 -1 14 {} Si 0.0 {0.315975 0.980705 0.802135} Si552 1648 0.0 -1 8 {} O 0.0 {0.307572 0.946639 0.685268} O1097 1649 0.0 -1 8 {} O 0.0 {0.316683 0.97009 0.856487} O1098 1650 0.0 -1 8 {} O 0.0 {0.307329 0.970753 0.66885} O1099 1651 0.0 -1 8 {} O 0.0 {0.315948 0.995334 0.828259} O1100 1652 0.0 -1 8 {} O 0.0 {0.320956 0.979687 0.754435} O1101 1653 0.0 -1 8 {} O 0.0 {0.310268 0.978898 0.776676} O1102 1654 0.0 -1 8 {} O 0.0 {0.311589 0.954373 0.927403} O1103 1655 0.0 -1 8 {} O 0.0 {0.301093 0.954013 0.909846} O1104 1656 0.0 -1 14 {} Si 0.0 {0.306452 0.00382339 0.958585} Si553 1657 0.0 -1 14 {} Si 0.0 {0.316478 0.99877 0.218913} Si554 1658 0.0 -1 14 {} Si 0.0 {0.306958 0.0269364 0.055912} Si555 1659 0.0 -1 14 {} Si 0.0 {0.316503 0.0248673 0.147087} Si556 1660 0.0 -1 8 {} O 0.0 {0.307239 0.990106 0.991986} O1105 1661 0.0 -1 8 {} O 0.0 {0.315127 0.0118145 0.185883} O1106 1662 0.0 -1 8 {} O 0.0 {0.306506 0.0138401 0.0171559} O1107 1663 0.0 -1 8 {} O 0.0 {0.314521 0.0369063 0.189662} O1108 1664 0.0 -1 8 {} O 0.0 {0.322361 0.0273223 0.116778} O1109 1665 0.0 -1 8 {} O 0.0 {0.312555 0.0257918 0.0873046} O1110 1666 0.0 -1 8 {} O 0.0 {0.31171 0.997549 0.266212} O1111 1667 0.0 -1 8 {} O 0.0 {0.302046 0.00611489 0.250939} O1112 1668 0.0 -1 14 {} Si 0.0 {0.30633 0.00206575 0.300289} Si557 1669 0.0 -1 14 {} Si 0.0 {0.3165 6.08866e-005 0.556582} Si558 1670 0.0 -1 14 {} Si 0.0 {0.307213 0.0270379 0.389762} Si559 1671 0.0 -1 14 {} Si 0.0 {0.317298 0.0254188 0.472777} Si560 1672 0.0 -1 8 {} O 0.0 {0.305267 0.989283 0.340547} O1113 1673 0.0 -1 8 {} O 0.0 {0.3164 0.0110497 0.501458} O1114 1674 0.0 -1 8 {} O 0.0 {0.306776 0.0137993 0.350895} O1115 1675 0.0 -1 8 {} O 0.0 {0.316002 0.0367191 0.522037} O1116 1676 0.0 -1 8 {} O 0.0 {0.322841 0.0279358 0.443555} O1117 1677 0.0 -1 8 {} O 0.0 {0.312692 0.0269876 0.423399} O1118 1678 0.0 -1 8 {} O 0.0 {0.311501 0.00248791 0.600777} O1119 1679 0.0 -1 8 {} O 0.0 {0.301521 0.00651369 0.598501} O1120 1680 0.0 -1 14 {} Si 0.0 {0.306595 0.00687457 0.644206} Si561 1681 0.0 -1 14 {} Si 0.0 {0.316527 0.00542257 0.884255} Si562 1682 0.0 -1 14 {} Si 0.0 {0.306305 0.0307172 0.728361} Si563 1683 0.0 -1 14 {} Si 0.0 {0.316867 0.0300099 0.806118} Si564 1684 0.0 -1 8 {} O 0.0 {0.306241 0.995597 0.693404} O1121 1685 0.0 -1 8 {} O 0.0 {0.318152 0.0186115 0.855703} O1122 1686 0.0 -1 8 {} O 0.0 {0.307616 0.0206497 0.675634} O1123 1687 0.0 -1 8 {} O 0.0 {0.316158 0.0440829 0.837625} O1124 1688 0.0 -1 8 {} O 0.0 {0.321686 0.0300747 0.756758} O1125 1689 0.0 -1 8 {} O 0.0 {0.311317 0.0282922 0.77556} O1126 1690 0.0 -1 8 {} O 0.0 {0.310924 0.0068115 0.912141} O1127 1691 0.0 -1 8 {} O 0.0 {0.300595 0.00541094 0.931665} O1128 1692 0.0 -1 14 {} Si 0.0 {0.307307 0.0521806 0.979612} Si565 1693 0.0 -1 14 {} Si 0.0 {0.316264 0.0491576 0.227985} Si566 1694 0.0 -1 14 {} Si 0.0 {0.306928 0.0759952 0.0677955} Si567 1695 0.0 -1 14 {} Si 0.0 {0.316674 0.0740075 0.150955} Si568 1696 0.0 -1 8 {} O 0.0 {0.307995 0.0378783 0.999902} O1129 1697 0.0 -1 8 {} O 0.0 {0.317991 0.0599594 0.181185} O1130 1698 0.0 -1 8 {} O 0.0 {0.306976 0.0620376 0.0358064} O1131 1699 0.0 -1 8 {} O 0.0 {0.318369 0.084699 0.200905} O1132 1700 0.0 -1 8 {} O 0.0 {0.320662 0.0765023 0.0931535} O1133 1701 0.0 -1 8 {} O 0.0 {0.310982 0.0773883 0.125846} O1134 1702 0.0 -1 8 {} O 0.0 {0.311647 0.0542944 0.270262} O1135 1703 0.0 -1 8 {} O 0.0 {0.301063 0.0558551 0.279705} O1136 1704 0.0 -1 14 {} Si 0.0 {0.306443 0.0526679 0.31388} Si569 1705 0.0 -1 14 {} Si 0.0 {0.316317 0.0506511 0.554183} Si570 1706 0.0 -1 14 {} Si 0.0 {0.306581 0.0774614 0.391749} Si571 1707 0.0 -1 14 {} Si 0.0 {0.316254 0.0756319 0.4759} Si572 1708 0.0 -1 8 {} O 0.0 {0.306285 0.038296 0.341682} O1137 1709 0.0 -1 8 {} O 0.0 {0.315803 0.0609627 0.500356} O1138 1710 0.0 -1 8 {} O 0.0 {0.30701 0.0630183 0.36928} O1139 1711 0.0 -1 8 {} O 0.0 {0.316877 0.083883 0.540955} O1140 1712 0.0 -1 8 {} O 0.0 {0.321371 0.0789511 0.436421} O1141 1713 0.0 -1 8 {} O 0.0 {0.311257 0.0802206 0.43623} O1142 1714 0.0 -1 8 {} O 0.0 {0.31158 0.0531948 0.600342} O1143 1715 0.0 -1 8 {} O 0.0 {0.301275 0.0549411 0.609422} O1144 1716 0.0 -1 14 {} Si 0.0 {0.306664 0.0553469 0.646623} Si573 1717 0.0 -1 14 {} Si 0.0 {0.317288 0.0551062 0.889197} Si574 1718 0.0 -1 14 {} Si 0.0 {0.306823 0.0792708 0.732173} Si575 1719 0.0 -1 14 {} Si 0.0 {0.317528 0.0786632 0.799942} Si576 1720 0.0 -1 8 {} O 0.0 {0.306247 0.0449168 0.704589} O1145 1721 0.0 -1 8 {} O 0.0 {0.318147 0.0689263 0.859333} O1146 1722 0.0 -1 8 {} O 0.0 {0.307026 0.0697651 0.674229} O1147 1723 0.0 -1 8 {} O 0.0 {0.318461 0.0925775 0.827494} O1148 1724 0.0 -1 8 {} O 0.0 {0.321529 0.0772232 0.743369} O1149 1725 0.0 -1 8 {} O 0.0 {0.311615 0.0783703 0.77839} O1150 1726 0.0 -1 8 {} O 0.0 {0.312197 0.055479 0.934416} O1151 1727 0.0 -1 8 {} O 0.0 {0.302238 0.0515286 0.932749} O1152 1728 0.0 -1 14 {} Si 0.0 {0.326572 0.953426 0.960579} Si577 1729 0.0 -1 14 {} Si 0.0 {0.337079 0.954363 0.228965} Si578 1730 0.0 -1 14 {} Si 0.0 {0.326457 0.976913 0.0553444} Si579 1731 0.0 -1 14 {} Si 0.0 {0.336273 0.977857 0.142168} Si580 1732 0.0 -1 8 {} O 0.0 {0.326419 0.94138 0.00817979} O1153 1733 0.0 -1 8 {} O 0.0 {0.335977 0.968582 0.201158} O1154 1734 0.0 -1 8 {} O 0.0 {0.327024 0.967369 0.999473} O1155 1735 0.0 -1 8 {} O 0.0 {0.33651 0.992208 0.173663} O1156 1736 0.0 -1 8 {} O 0.0 {0.341311 0.974052 0.102693} O1157 1737 0.0 -1 8 {} O 0.0 {0.331184 0.974701 0.102206} O1158 1738 0.0 -1 8 {} O 0.0 {0.332086 0.950527 0.267109} O1159 1739 0.0 -1 8 {} O 0.0 {0.322247 0.952389 0.255174} O1160 1740 0.0 -1 14 {} Si 0.0 {0.32683 0.95216 0.305618} Si581 1741 0.0 -1 14 {} Si 0.0 {0.336209 0.952608 0.554785} Si582 1742 0.0 -1 14 {} Si 0.0 {0.327362 0.977388 0.38887} Si583 1743 0.0 -1 14 {} Si 0.0 {0.337307 0.977419 0.475945} Si584 1744 0.0 -1 8 {} O 0.0 {0.325823 0.938984 0.342054} O1161 1745 0.0 -1 8 {} O 0.0 {0.338191 0.9637 0.508229} O1162 1746 0.0 -1 8 {} O 0.0 {0.327452 0.963378 0.355668} O1163 1747 0.0 -1 8 {} O 0.0 {0.336646 0.988138 0.52738} O1164 1748 0.0 -1 8 {} O 0.0 {0.342467 0.981042 0.433866} O1165 1749 0.0 -1 8 {} O 0.0 {0.332099 0.977469 0.434656} O1166 1750 0.0 -1 8 {} O 0.0 {0.330526 0.953474 0.581053} O1167 1751 0.0 -1 8 {} O 0.0 {0.320298 0.953617 0.597858} O1168 1752 0.0 -1 14 {} Si 0.0 {0.325777 0.952958 0.631174} Si585 1753 0.0 -1 14 {} Si 0.0 {0.336873 0.955771 0.886107} Si586 1754 0.0 -1 14 {} Si 0.0 {0.32617 0.976826 0.718698} Si587 1755 0.0 -1 14 {} Si 0.0 {0.336347 0.980689 0.806072} Si588 1756 0.0 -1 8 {} O 0.0 {0.325645 0.938193 0.663614} O1169 1757 0.0 -1 8 {} O 0.0 {0.336584 0.970469 0.863858} O1170 1758 0.0 -1 8 {} O 0.0 {0.326239 0.962875 0.687198} O1171 1759 0.0 -1 8 {} O 0.0 {0.335606 0.994708 0.838084} O1172 1760 0.0 -1 8 {} O 0.0 {0.341585 0.97691 0.769702} O1173 1761 0.0 -1 8 {} O 0.0 {0.331131 0.976913 0.7705} O1174 1762 0.0 -1 8 {} O 0.0 {0.331502 0.950952 0.917717} O1175 1763 0.0 -1 8 {} O 0.0 {0.321425 0.952108 0.917627} O1176 1764 0.0 -1 14 {} Si 0.0 {0.325912 0.00268967 0.979909} Si589 1765 0.0 -1 14 {} Si 0.0 {0.336896 0.0033371 0.223368} Si590 1766 0.0 -1 14 {} Si 0.0 {0.326728 0.0280472 0.0633121} Si591 1767 0.0 -1 14 {} Si 0.0 {0.336975 0.0281358 0.138268} Si592 1768 0.0 -1 8 {} O 0.0 {0.326376 0.991636 0.0306045} O1177 1769 0.0 -1 8 {} O 0.0 {0.337179 0.0170121 0.191711} O1178 1770 0.0 -1 8 {} O 0.0 {0.325103 0.0163614 0.0152734} O1179 1771 0.0 -1 8 {} O 0.0 {0.33581 0.0419498 0.170305} O1180 1772 0.0 -1 8 {} O 0.0 {0.342 0.0321961 0.0931767} O1181 1773 0.0 -1 8 {} O 0.0 {0.332237 0.0245433 0.0936656} O1182 1774 0.0 -1 8 {} O 0.0 {0.331686 0.00427982 0.263395} O1183 1775 0.0 -1 8 {} O 0.0 {0.321797 0.999778 0.257584} O1184 1776 0.0 -1 14 {} Si 0.0 {0.326531 0.00117147 0.304375} Si593 1777 0.0 -1 14 {} Si 0.0 {0.337422 0.00175831 0.563311} Si594 1778 0.0 -1 14 {} Si 0.0 {0.327458 0.0246116 0.391889} Si595 1779 0.0 -1 14 {} Si 0.0 {0.337441 0.0249645 0.469462} Si596 1780 0.0 -1 8 {} O 0.0 {0.327458 0.987366 0.334838} O1185 1781 0.0 -1 8 {} O 0.0 {0.338624 0.0124014 0.509673} O1186 1782 0.0 -1 8 {} O 0.0 {0.325722 0.0125735 0.350262} O1187 1783 0.0 -1 8 {} O 0.0 {0.335741 0.0359531 0.513483} O1188 1784 0.0 -1 8 {} O 0.0 {0.342868 0.0294692 0.437157} O1189 1785 0.0 -1 8 {} O 0.0 {0.333041 0.021437 0.422158} O1190 1786 0.0 -1 8 {} O 0.0 {0.331704 0.00412798 0.593265} O1191 1787 0.0 -1 8 {} O 0.0 {0.321573 0.00111446 0.596168} O1192 1788 0.0 -1 14 {} Si 0.0 {0.326899 0.00129331 0.637005} Si597 1789 0.0 -1 14 {} Si 0.0 {0.336094 0.00444301 0.893857} Si598 1790 0.0 -1 14 {} Si 0.0 {0.326969 0.0271777 0.717587} Si599 1791 0.0 -1 14 {} Si 0.0 {0.336379 0.0288427 0.810694} Si600 1792 0.0 -1 8 {} O 0.0 {0.327572 0.987268 0.668866} O1193 1793 0.0 -1 8 {} O 0.0 {0.335801 0.0189384 0.866985} O1194 1794 0.0 -1 8 {} O 0.0 {0.326472 0.0128297 0.686832} O1195 1795 0.0 -1 8 {} O 0.0 {0.336383 0.0429186 0.842101} O1196 1796 0.0 -1 8 {} O 0.0 {0.341997 0.0258706 0.781277} O1197 1797 0.0 -1 8 {} O 0.0 {0.331729 0.0286773 0.762113} O1198 1798 0.0 -1 8 {} O 0.0 {0.330793 0.00305029 0.933298} O1199 1799 0.0 -1 8 {} O 0.0 {0.320629 0.00217393 0.938095} O1200 1800 0.0 -1 14 {} Si 0.0 {0.326722 0.0531943 0.977013} Si601 1801 0.0 -1 14 {} Si 0.0 {0.336656 0.0525146 0.225445} Si602 1802 0.0 -1 14 {} Si 0.0 {0.326413 0.0778146 0.0589069} Si603 1803 0.0 -1 14 {} Si 0.0 {0.336658 0.0772543 0.136541} Si604 1804 0.0 -1 8 {} O 0.0 {0.326746 0.0421452 0.0310934} O1201 1805 0.0 -1 8 {} O 0.0 {0.33756 0.065837 0.189416} O1202 1806 0.0 -1 8 {} O 0.0 {0.32648 0.067871 0.0044793} O1203 1807 0.0 -1 8 {} O 0.0 {0.337976 0.0910135 0.172265} O1204 1808 0.0 -1 8 {} O 0.0 {0.340787 0.0774903 0.0830456} O1205 1809 0.0 -1 8 {} O 0.0 {0.330991 0.0763686 0.107198} O1206 1810 0.0 -1 8 {} O 0.0 {0.331398 0.0541246 0.263586} O1207 1811 0.0 -1 8 {} O 0.0 {0.321287 0.0473121 0.270132} O1208 1812 0.0 -1 14 {} Si 0.0 {0.326706 0.0507562 0.306153} Si605 1813 0.0 -1 14 {} Si 0.0 {0.33673 0.0494029 0.548838} Si606 1814 0.0 -1 14 {} Si 0.0 {0.325886 0.0750138 0.389654} Si607 1815 0.0 -1 14 {} Si 0.0 {0.336487 0.0748814 0.465004} Si608 1816 0.0 -1 8 {} O 0.0 {0.328064 0.0378022 0.348024} O1209 1817 0.0 -1 8 {} O 0.0 {0.337014 0.0607677 0.49495} O1210 1818 0.0 -1 8 {} O 0.0 {0.325245 0.0618002 0.353582} O1211 1819 0.0 -1 8 {} O 0.0 {0.335159 0.085657 0.516068} O1212 1820 0.0 -1 8 {} O 0.0 {0.341327 0.0811628 0.42882} O1213 1821 0.0 -1 8 {} O 0.0 {0.331609 0.0770079 0.419145} O1214 1822 0.0 -1 8 {} O 0.0 {0.332004 0.0533976 0.592297} O1215 1823 0.0 -1 8 {} O 0.0 {0.321489 0.0532579 0.595927} O1216 1824 0.0 -1 14 {} Si 0.0 {0.326782 0.0514539 0.634872} Si609 1825 0.0 -1 14 {} Si 0.0 {0.336901 0.0539587 0.892112} Si610 1826 0.0 -1 14 {} Si 0.0 {0.327444 0.0754306 0.720273} Si611 1827 0.0 -1 14 {} Si 0.0 {0.336585 0.0793198 0.816461} Si612 1828 0.0 -1 8 {} O 0.0 {0.327116 0.0374736 0.665318} O1217 1829 0.0 -1 8 {} O 0.0 {0.335394 0.0671132 0.859874} O1218 1830 0.0 -1 8 {} O 0.0 {0.327644 0.0614688 0.69302} O1219 1831 0.0 -1 8 {} O 0.0 {0.336532 0.0920225 0.854836} O1220 1832 0.0 -1 8 {} O 0.0 {0.342347 0.0778655 0.788799} O1221 1833 0.0 -1 8 {} O 0.0 {0.332343 0.0809181 0.763075} O1222 1834 0.0 -1 8 {} O 0.0 {0.332541 0.052382 0.945002} O1223 1835 0.0 -1 8 {} O 0.0 {0.321641 0.0497978 0.932558} O1224 1836 0.0 -1 14 {} Si 0.0 {0.347295 0.954742 0.970315} Si613 1837 0.0 -1 14 {} Si 0.0 {0.35723 0.951746 0.231308} Si614 1838 0.0 -1 14 {} Si 0.0 {0.346609 0.977529 0.0670841} Si615 1839 0.0 -1 14 {} Si 0.0 {0.356511 0.977579 0.15145} Si616 1840 0.0 -1 8 {} O 0.0 {0.347053 0.940282 0.00188351} O1225 1841 0.0 -1 8 {} O 0.0 {0.355609 0.963498 0.184964} O1226 1842 0.0 -1 8 {} O 0.0 {0.347859 0.965453 0.0236862} O1227 1843 0.0 -1 8 {} O 0.0 {0.356764 0.988198 0.202747} O1228 1844 0.0 -1 8 {} O 0.0 {0.36138 0.975962 0.105246} O1229 1845 0.0 -1 8 {} O 0.0 {0.351116 0.980326 0.113497} O1230 1846 0.0 -1 8 {} O 0.0 {0.353137 0.952481 0.284766} O1231 1847 0.0 -1 8 {} O 0.0 {0.342703 0.952193 0.263292} O1232 1848 0.0 -1 14 {} Si 0.0 {0.347357 0.95524 0.311854} Si617 1849 0.0 -1 14 {} Si 0.0 {0.355847 0.955397 0.560393} Si618 1850 0.0 -1 14 {} Si 0.0 {0.34713 0.980775 0.384693} Si619 1851 0.0 -1 14 {} Si 0.0 {0.356729 0.980686 0.47448} Si620 1852 0.0 -1 8 {} O 0.0 {0.346406 0.94546 0.367934} O1233 1853 0.0 -1 8 {} O 0.0 {0.356076 0.968998 0.522919} O1234 1854 0.0 -1 8 {} O 0.0 {0.346357 0.969668 0.334314} O1235 1855 0.0 -1 8 {} O 0.0 {0.356485 0.994697 0.503667} O1236 1856 0.0 -1 8 {} O 0.0 {0.362138 0.97783 0.443368} O1237 1857 0.0 -1 8 {} O 0.0 {0.35224 0.9775 0.425814} O1238 1858 0.0 -1 8 {} O 0.0 {0.350458 0.953859 0.598467} O1239 1859 0.0 -1 8 {} O 0.0 {0.340077 0.950311 0.611529} O1240 1860 0.0 -1 14 {} Si 0.0 {0.345631 0.951891 0.645124} Si621 1861 0.0 -1 14 {} Si 0.0 {0.357832 0.952856 0.891907} Si622 1862 0.0 -1 14 {} Si 0.0 {0.347107 0.974685 0.736165} Si623 1863 0.0 -1 14 {} Si 0.0 {0.35701 0.977645 0.814385} Si624 1864 0.0 -1 8 {} O 0.0 {0.346121 0.936735 0.677287} O1241 1865 0.0 -1 8 {} O 0.0 {0.359328 0.965876 0.855504} O1242 1866 0.0 -1 8 {} O 0.0 {0.346563 0.960514 0.70478} O1243 1867 0.0 -1 8 {} O 0.0 {0.356602 0.990911 0.849831} O1244 1868 0.0 -1 8 {} O 0.0 {0.361121 0.979297 0.758165} O1245 1869 0.0 -1 8 {} O 0.0 {0.351663 0.972991 0.786042} O1246 1870 0.0 -1 8 {} O 0.0 {0.352015 0.95352 0.919289} O1247 1871 0.0 -1 8 {} O 0.0 {0.341687 0.954575 0.933704} O1248 1872 0.0 -1 14 {} Si 0.0 {0.346104 0.00226917 0.981075} Si625 1873 0.0 -1 14 {} Si 0.0 {0.357117 0.00315151 0.224766} Si626 1874 0.0 -1 14 {} Si 0.0 {0.347138 0.0279156 0.0518108} Si627 1875 0.0 -1 14 {} Si 0.0 {0.356895 0.0264657 0.137207} Si628 1876 0.0 -1 8 {} O 0.0 {0.345548 0.989311 0.0198562} O1249 1877 0.0 -1 8 {} O 0.0 {0.357329 0.012391 0.164511} O1250 1878 0.0 -1 8 {} O 0.0 {0.346735 0.0134937 0.030295} O1251 1879 0.0 -1 8 {} O 0.0 {0.356585 0.0368574 0.194002} O1252 1880 0.0 -1 8 {} O 0.0 {0.361707 0.0296191 0.0903851} O1253 1881 0.0 -1 8 {} O 0.0 {0.351852 0.0296936 0.0995521} O1254 1882 0.0 -1 8 {} O 0.0 {0.351454 0.00618409 0.254699} O1255 1883 0.0 -1 8 {} O 0.0 {0.341789 0.00202779 0.271817} O1256 1884 0.0 -1 14 {} Si 0.0 {0.347038 0.00544299 0.306594} Si629 1885 0.0 -1 14 {} Si 0.0 {0.356154 0.00410406 0.564311} Si630 1886 0.0 -1 14 {} Si 0.0 {0.347746 0.0294986 0.389794} Si631 1887 0.0 -1 14 {} Si 0.0 {0.356731 0.0291516 0.488436} Si632 1888 0.0 -1 8 {} O 0.0 {0.348289 0.994299 0.351784} O1257 1889 0.0 -1 8 {} O 0.0 {0.355933 0.0189844 0.541313} O1258 1890 0.0 -1 8 {} O 0.0 {0.346432 0.0186546 0.34159} O1259 1891 0.0 -1 8 {} O 0.0 {0.356187 0.0436666 0.515027} O1260 1892 0.0 -1 8 {} O 0.0 {0.362077 0.0256901 0.450694} O1261 1893 0.0 -1 8 {} O 0.0 {0.352744 0.0268637 0.430451} O1262 1894 0.0 -1 8 {} O 0.0 {0.35093 0.00183444 0.602656} O1263 1895 0.0 -1 8 {} O 0.0 {0.341092 0.999941 0.622329} O1264 1896 0.0 -1 14 {} Si 0.0 {0.346615 0.000934362 0.654334} Si633 1897 0.0 -1 14 {} Si 0.0 {0.356399 0.00280212 0.897979} Si634 1898 0.0 -1 14 {} Si 0.0 {0.346744 0.0271097 0.733898} Si635 1899 0.0 -1 14 {} Si 0.0 {0.35654 0.0270239 0.815544} Si636 1900 0.0 -1 8 {} O 0.0 {0.347818 0.987909 0.695474} O1265 1901 0.0 -1 8 {} O 0.0 {0.354965 0.0156555 0.862315} O1266 1902 0.0 -1 8 {} O 0.0 {0.346775 0.0137565 0.695264} O1267 1903 0.0 -1 8 {} O 0.0 {0.357506 0.0402303 0.855268} O1268 1904 0.0 -1 8 {} O 0.0 {0.361982 0.0238035 0.782361} O1269 1905 0.0 -1 8 {} O 0.0 {0.352391 0.0288334 0.760777} O1270 1906 0.0 -1 8 {} O 0.0 {0.351476 0.00100154 0.944725} O1271 1907 0.0 -1 8 {} O 0.0 {0.341156 0.00474744 0.936982} O1272 1908 0.0 -1 14 {} Si 0.0 {0.347211 0.0522976 0.971118} Si637 1909 0.0 -1 14 {} Si 0.0 {0.357002 0.0511624 0.221607} Si638 1910 0.0 -1 14 {} Si 0.0 {0.346597 0.0755308 0.0578212} Si639 1911 0.0 -1 14 {} Si 0.0 {0.356654 0.0765506 0.134483} Si640 1912 0.0 -1 8 {} O 0.0 {0.346916 0.0376153 0.990485} O1273 1913 0.0 -1 8 {} O 0.0 {0.357287 0.0626694 0.169286} O1274 1914 0.0 -1 8 {} O 0.0 {0.34705 0.060969 0.0336071} O1275 1915 0.0 -1 8 {} O 0.0 {0.357105 0.0871814 0.188444} O1276 1916 0.0 -1 8 {} O 0.0 {0.361627 0.0784252 0.0875362} O1277 1917 0.0 -1 8 {} O 0.0 {0.351442 0.0802991 0.0990982} O1278 1918 0.0 -1 8 {} O 0.0 {0.352112 0.0547281 0.261764} O1279 1919 0.0 -1 8 {} O 0.0 {0.341415 0.0511496 0.270342} O1280 1920 0.0 -1 14 {} Si 0.0 {0.346983 0.0547556 0.304121} Si641 1921 0.0 -1 14 {} Si 0.0 {0.356387 0.0536753 0.569598} Si642 1922 0.0 -1 14 {} Si 0.0 {0.346778 0.0786529 0.390928} Si643 1923 0.0 -1 14 {} Si 0.0 {0.356233 0.0772352 0.481749} Si644 1924 0.0 -1 8 {} O 0.0 {0.347605 0.0435559 0.355393} O1281 1925 0.0 -1 8 {} O 0.0 {0.356216 0.0682298 0.544587} O1282 1926 0.0 -1 8 {} O 0.0 {0.346292 0.0688029 0.335462} O1283 1927 0.0 -1 8 {} O 0.0 {0.355596 0.091902 0.506744} O1284 1928 0.0 -1 8 {} O 0.0 {0.36187 0.0756429 0.451214} O1285 1929 0.0 -1 8 {} O 0.0 {0.351391 0.074818 0.436719} O1286 1930 0.0 -1 8 {} O 0.0 {0.351701 0.0522539 0.618476} O1287 1931 0.0 -1 8 {} O 0.0 {0.341779 0.0514067 0.590249} O1288 1932 0.0 -1 14 {} Si 0.0 {0.345905 0.051641 0.645023} Si645 1933 0.0 -1 14 {} Si 0.0 {0.35765 0.0521062 0.900185} Si646 1934 0.0 -1 14 {} Si 0.0 {0.346511 0.074682 0.735951} Si647 1935 0.0 -1 14 {} Si 0.0 {0.357443 0.0737341 0.802} Si648 1936 0.0 -1 8 {} O 0.0 {0.345959 0.0383668 0.685275} O1289 1937 0.0 -1 8 {} O 0.0 {0.35887 0.0643086 0.85741} O1290 1938 0.0 -1 8 {} O 0.0 {0.34467 0.0633365 0.688222} O1291 1939 0.0 -1 8 {} O 0.0 {0.356247 0.0886218 0.835243} O1292 1940 0.0 -1 8 {} O 0.0 {0.362324 0.0782113 0.761821} O1293 1941 0.0 -1 8 {} O 0.0 {0.352022 0.0706558 0.766934} O1294 1942 0.0 -1 8 {} O 0.0 {0.352439 0.055528 0.935759} O1295 1943 0.0 -1 8 {} O 0.0 {0.342418 0.0550219 0.92378} O1296 1944 0.0 -1 14 {} Si 0.0 {0.367175 0.953281 0.981666} Si649 1945 0.0 -1 14 {} Si 0.0 {0.37791 0.952041 0.233965} Si650 1946 0.0 -1 14 {} Si 0.0 {0.366901 0.976994 0.0675395} Si651 1947 0.0 -1 14 {} Si 0.0 {0.376747 0.976201 0.149226} Si652 1948 0.0 -1 8 {} O 0.0 {0.368753 0.939853 0.0164071} O1297 1949 0.0 -1 8 {} O 0.0 {0.376336 0.962797 0.184628} O1298 1950 0.0 -1 8 {} O 0.0 {0.368319 0.963279 0.0358163} O1299 1951 0.0 -1 8 {} O 0.0 {0.377471 0.987935 0.198643} O1300 1952 0.0 -1 8 {} O 0.0 {0.381593 0.976679 0.099015} O1301 1953 0.0 -1 8 {} O 0.0 {0.371526 0.979512 0.116339} O1302 1954 0.0 -1 8 {} O 0.0 {0.373253 0.950217 0.281771} O1303 1955 0.0 -1 8 {} O 0.0 {0.363202 0.952343 0.254281} O1304 1956 0.0 -1 14 {} Si 0.0 {0.367407 0.951751 0.308734} Si653 1957 0.0 -1 14 {} Si 0.0 {0.37671 0.956405 0.56393} Si654 1958 0.0 -1 14 {} Si 0.0 {0.366603 0.976381 0.389116} Si655 1959 0.0 -1 14 {} Si 0.0 {0.377216 0.978088 0.46616} Si656 1960 0.0 -1 8 {} O 0.0 {0.366614 0.937223 0.334658} O1305 1961 0.0 -1 8 {} O 0.0 {0.377649 0.964056 0.501509} O1306 1962 0.0 -1 8 {} O 0.0 {0.366395 0.961343 0.368125} O1307 1963 0.0 -1 8 {} O 0.0 {0.377314 0.987496 0.52503} O1308 1964 0.0 -1 8 {} O 0.0 {0.382099 0.979889 0.41983} O1309 1965 0.0 -1 8 {} O 0.0 {0.372161 0.978492 0.42436} O1310 1966 0.0 -1 8 {} O 0.0 {0.370796 0.957328 0.586436} O1311 1967 0.0 -1 8 {} O 0.0 {0.360735 0.951126 0.599496} O1312 1968 0.0 -1 14 {} Si 0.0 {0.366197 0.9538 0.634572} Si657 1969 0.0 -1 14 {} Si 0.0 {0.376723 0.954552 0.894863} Si658 1970 0.0 -1 14 {} Si 0.0 {0.366886 0.979117 0.725235} Si659 1971 0.0 -1 14 {} Si 0.0 {0.376886 0.978939 0.814075} Si660 1972 0.0 -1 8 {} O 0.0 {0.36768 0.939409 0.65708} O1313 1973 0.0 -1 8 {} O 0.0 {0.377883 0.964471 0.839442} O1314 1974 0.0 -1 8 {} O 0.0 {0.366556 0.965676 0.688136} O1315 1975 0.0 -1 8 {} O 0.0 {0.377263 0.987802 0.873219} O1316 1976 0.0 -1 8 {} O 0.0 {0.381307 0.983021 0.766507} O1317 1977 0.0 -1 8 {} O 0.0 {0.371355 0.977631 0.775987} O1318 1978 0.0 -1 8 {} O 0.0 {0.370633 0.955833 0.923093} O1319 1979 0.0 -1 8 {} O 0.0 {0.361362 0.952461 0.954184} O1320 1980 0.0 -1 14 {} Si 0.0 {0.366643 0.00171587 0.98257} Si661 1981 0.0 -1 14 {} Si 0.0 {0.377424 0.00245701 0.229436} Si662 1982 0.0 -1 14 {} Si 0.0 {0.367318 0.0266211 0.0636409} Si663 1983 0.0 -1 14 {} Si 0.0 {0.376871 0.0271137 0.146406} Si664 1984 0.0 -1 8 {} O 0.0 {0.366038 0.988136 0.0166787} O1321 1985 0.0 -1 8 {} O 0.0 {0.377177 0.0130335 0.17914} O1322 1986 0.0 -1 8 {} O 0.0 {0.367367 0.0122657 0.0345072} O1323 1987 0.0 -1 8 {} O 0.0 {0.378135 0.0379524 0.197912} O1324 1988 0.0 -1 8 {} O 0.0 {0.381719 0.0270442 0.0986939} O1325 1989 0.0 -1 8 {} O 0.0 {0.371123 0.0288032 0.119387} O1326 1990 0.0 -1 8 {} O 0.0 {0.372253 0.00182335 0.273126} O1327 1991 0.0 -1 8 {} O 0.0 {0.361936 0.00461115 0.272439} O1328 1992 0.0 -1 14 {} Si 0.0 {0.366888 0.00173538 0.314339} Si665 1993 0.0 -1 14 {} Si 0.0 {0.376843 0.00169049 0.552572} Si666 1994 0.0 -1 14 {} Si 0.0 {0.366718 0.025311 0.401494} Si667 1995 0.0 -1 14 {} Si 0.0 {0.377285 0.0253641 0.467209} Si668 1996 0.0 -1 8 {} O 0.0 {0.366278 0.987126 0.337552} O1329 1997 0.0 -1 8 {} O 0.0 {0.378133 0.0120946 0.501193} O1330 1998 0.0 -1 8 {} O 0.0 {0.367493 0.0119679 0.367339} O1331 1999 0.0 -1 8 {} O 0.0 {0.37831 0.036368 0.521488} O1332 2000 0.0 -1 8 {} O 0.0 {0.382116 0.0287197 0.421274} O1333 2001 0.0 -1 8 {} O 0.0 {0.372062 0.0291445 0.43663} O1334 2002 0.0 -1 8 {} O 0.0 {0.371172 0.00391289 0.580626} O1335 2003 0.0 -1 8 {} O 0.0 {0.361359 0.00240596 0.606703} O1336 2004 0.0 -1 14 {} Si 0.0 {0.367102 0.00230005 0.634984} Si669 2005 0.0 -1 14 {} Si 0.0 {0.376618 0.00278219 0.898023} Si670 2006 0.0 -1 14 {} Si 0.0 {0.366689 0.0253293 0.733183} Si671 2007 0.0 -1 14 {} Si 0.0 {0.376861 0.0267372 0.814466} Si672 2008 0.0 -1 8 {} O 0.0 {0.36819 0.989114 0.672925} O1337 2009 0.0 -1 8 {} O 0.0 {0.377137 0.012771 0.844428} O1338 2010 0.0 -1 8 {} O 0.0 {0.367074 0.0129302 0.691115} O1339 2011 0.0 -1 8 {} O 0.0 {0.376996 0.0367725 0.87077} O1340 2012 0.0 -1 8 {} O 0.0 {0.381977 0.0275976 0.769988} O1341 2013 0.0 -1 8 {} O 0.0 {0.372153 0.0282927 0.764363} O1342 2014 0.0 -1 8 {} O 0.0 {0.371195 0.00233376 0.934422} O1343 2015 0.0 -1 8 {} O 0.0 {0.361322 0.00406544 0.943292} O1344 2016 0.0 -1 14 {} Si 0.0 {0.367394 0.0515106 0.98898} Si673 2017 0.0 -1 14 {} Si 0.0 {0.377592 0.0497919 0.242728} Si674 2018 0.0 -1 14 {} Si 0.0 {0.367743 0.0767453 0.0757941} Si675 2019 0.0 -1 14 {} Si 0.0 {0.37784 0.07518 0.157029} Si676 2020 0.0 -1 8 {} O 0.0 {0.368624 0.0370344 0.0117965} O1345 2021 0.0 -1 8 {} O 0.0 {0.377673 0.062129 0.194678} O1346 2022 0.0 -1 8 {} O 0.0 {0.36802 0.0625908 0.0405755} O1347 2023 0.0 -1 8 {} O 0.0 {0.378292 0.0873936 0.207223} O1348 2024 0.0 -1 8 {} O 0.0 {0.382337 0.0773376 0.103712} O1349 2025 0.0 -1 8 {} O 0.0 {0.372071 0.0770399 0.129182} O1350 2026 0.0 -1 8 {} O 0.0 {0.372084 0.0494314 0.275791} O1351 2027 0.0 -1 8 {} O 0.0 {0.362079 0.052969 0.265358} O1352 2028 0.0 -1 14 {} Si 0.0 {0.366869 0.0501638 0.311524} Si677 2029 0.0 -1 14 {} Si 0.0 {0.376762 0.0487493 0.560659} Si678 2030 0.0 -1 14 {} Si 0.0 {0.366232 0.0753364 0.396566} Si679 2031 0.0 -1 14 {} Si 0.0 {0.37626 0.0745816 0.476582} Si680 2032 0.0 -1 8 {} O 0.0 {0.365729 0.0375772 0.356603} O1353 2033 0.0 -1 8 {} O 0.0 {0.376215 0.0607307 0.510623} O1354 2034 0.0 -1 8 {} O 0.0 {0.367295 0.0629818 0.355298} O1355 2035 0.0 -1 8 {} O 0.0 {0.376398 0.0865121 0.527998} O1356 2036 0.0 -1 8 {} O 0.0 {0.381316 0.0756052 0.431176} O1357 2037 0.0 -1 8 {} O 0.0 {0.371551 0.0784526 0.43326} O1358 2038 0.0 -1 8 {} O 0.0 {0.371952 0.0470903 0.604713} O1359 2039 0.0 -1 8 {} O 0.0 {0.36209 0.0515568 0.602936} O1360 2040 0.0 -1 14 {} Si 0.0 {0.367099 0.0493524 0.647509} Si681 2041 0.0 -1 14 {} Si 0.0 {0.376748 0.0513383 0.897523} Si682 2042 0.0 -1 14 {} Si 0.0 {0.367552 0.0763368 0.723592} Si683 2043 0.0 -1 14 {} Si 0.0 {0.376895 0.0753742 0.814384} Si684 2044 0.0 -1 8 {} O 0.0 {0.365471 0.0379683 0.693249} O1361 2045 0.0 -1 8 {} O 0.0 {0.377316 0.0606718 0.840075} O1362 2046 0.0 -1 8 {} O 0.0 {0.367694 0.062313 0.684983} O1363 2047 0.0 -1 8 {} O 0.0 {0.375649 0.0842148 0.875259} O1364 2048 0.0 -1 8 {} O 0.0 {0.382779 0.0790204 0.787801} O1365 2049 0.0 -1 8 {} O 0.0 {0.372691 0.0786907 0.763906} O1366 2050 0.0 -1 8 {} O 0.0 {0.371493 0.055763 0.933485} O1367 2051 0.0 -1 8 {} O 0.0 {0.362011 0.0516087 0.95139} O1368 2052 0.0 -1 14 {} Si 0.0 {0.386974 0.952739 0.97149} Si685 2053 0.0 -1 14 {} Si 0.0 {0.39738 0.952743 0.229257} Si686 2054 0.0 -1 14 {} Si 0.0 {0.38686 0.9762 0.0588516} Si687 2055 0.0 -1 14 {} Si 0.0 {0.39717 0.976588 0.139113} Si688 2056 0.0 -1 8 {} O 0.0 {0.38768 0.938202 0.998415} O1369 2057 0.0 -1 8 {} O 0.0 {0.395667 0.96503 0.185307} O1370 2058 0.0 -1 8 {} O 0.0 {0.38772 0.962092 0.0289763} O1371 2059 0.0 -1 8 {} O 0.0 {0.398298 0.988188 0.185375} O1372 2060 0.0 -1 8 {} O 0.0 {0.402132 0.975131 0.0941349} O1373 2061 0.0 -1 8 {} O 0.0 {0.391882 0.979677 0.098689} O1374 2062 0.0 -1 8 {} O 0.0 {0.393201 0.949661 0.282658} O1375 2063 0.0 -1 8 {} O 0.0 {0.383562 0.95399 0.264082} O1376 2064 0.0 -1 14 {} Si 0.0 {0.387815 0.953288 0.315815} Si689 2065 0.0 -1 14 {} Si 0.0 {0.396238 0.956271 0.574019} Si690 2066 0.0 -1 14 {} Si 0.0 {0.387945 0.979572 0.393402} Si691 2067 0.0 -1 14 {} Si 0.0 {0.397394 0.98057 0.491348} Si692 2068 0.0 -1 8 {} O 0.0 {0.386798 0.94101 0.3591} O1377 2069 0.0 -1 8 {} O 0.0 {0.397553 0.970042 0.543585} O1378 2070 0.0 -1 8 {} O 0.0 {0.38823 0.965652 0.359901} O1379 2071 0.0 -1 8 {} O 0.0 {0.397882 0.995051 0.516026} O1380 2072 0.0 -1 8 {} O 0.0 {0.401918 0.978364 0.444093} O1381 2073 0.0 -1 8 {} O 0.0 {0.39183 0.979199 0.452446} O1382 2074 0.0 -1 8 {} O 0.0 {0.390902 0.953807 0.611247} O1383 2075 0.0 -1 8 {} O 0.0 {0.380589 0.958656 0.622612} O1384 2076 0.0 -1 14 {} Si 0.0 {0.385911 0.958898 0.656423} Si693 2077 0.0 -1 14 {} Si 0.0 {0.39712 0.953806 0.89562} Si694 2078 0.0 -1 14 {} Si 0.0 {0.386925 0.983729 0.733763} Si695 2079 0.0 -1 14 {} Si 0.0 {0.397108 0.977964 0.814088} Si696 2080 0.0 -1 8 {} O 0.0 {0.385192 0.950052 0.719741} O1385 2081 0.0 -1 8 {} O 0.0 {0.397997 0.963867 0.842132} O1386 2082 0.0 -1 8 {} O 0.0 {0.387559 0.972962 0.682668} O1387 2083 0.0 -1 8 {} O 0.0 {0.398331 0.987834 0.872149} O1388 2084 0.0 -1 8 {} O 0.0 {0.40136 0.980421 0.761208} O1389 2085 0.0 -1 8 {} O 0.0 {0.391308 0.980421 0.785434} O1390 2086 0.0 -1 8 {} O 0.0 {0.391135 0.955707 0.919481} O1391 2087 0.0 -1 8 {} O 0.0 {0.380934 0.955189 0.948655} O1392 2088 0.0 -1 14 {} Si 0.0 {0.386908 0.00177845 0.978552} Si697 2089 0.0 -1 14 {} Si 0.0 {0.397602 0.00272946 0.212239} Si698 2090 0.0 -1 14 {} Si 0.0 {0.386986 0.0277642 0.0608014} Si699 2091 0.0 -1 14 {} Si 0.0 {0.397733 0.0281242 0.1372} Si700 2092 0.0 -1 8 {} O 0.0 {0.386284 0.987699 0.00871644} O1393 2093 0.0 -1 8 {} O 0.0 {0.397586 0.0133863 0.158498} O1394 2094 0.0 -1 8 {} O 0.0 {0.387796 0.0133591 0.0277821} O1395 2095 0.0 -1 8 {} O 0.0 {0.397736 0.0377098 0.195352} O1396 2096 0.0 -1 8 {} O 0.0 {0.402409 0.03142 0.0918651} O1397 2097 0.0 -1 8 {} O 0.0 {0.391984 0.0303146 0.103929} O1398 2098 0.0 -1 8 {} O 0.0 {0.392386 0.00446667 0.251579} O1399 2099 0.0 -1 8 {} O 0.0 {0.382074 0.00455196 0.276517} O1400 2100 0.0 -1 14 {} Si 0.0 {0.387708 0.0033798 0.305267} Si701 2101 0.0 -1 14 {} Si 0.0 {0.396922 0.00461856 0.573563} Si702 2102 0.0 -1 14 {} Si 0.0 {0.38809 0.0280637 0.400689} Si703 2103 0.0 -1 14 {} Si 0.0 {0.397004 0.029087 0.495289} Si704 2104 0.0 -1 8 {} O 0.0 {0.388903 0.991206 0.348299} O1401 2105 0.0 -1 8 {} O 0.0 {0.397858 0.0188107 0.548782} O1402 2106 0.0 -1 8 {} O 0.0 {0.388692 0.0158031 0.353993} O1403 2107 0.0 -1 8 {} O 0.0 {0.395784 0.043804 0.51591} O1404 2108 0.0 -1 8 {} O 0.0 {0.402513 0.0274264 0.458445} O1405 2109 0.0 -1 8 {} O 0.0 {0.392029 0.0244835 0.455747} O1406 2110 0.0 -1 8 {} O 0.0 {0.391109 0.00362709 0.598703} O1407 2111 0.0 -1 8 {} O 0.0 {0.381135 0.00466117 0.610628} O1408 2112 0.0 -1 14 {} Si 0.0 {0.386622 0.0073457 0.64678} Si705 2113 0.0 -1 14 {} Si 0.0 {0.396824 0.00156502 0.900717} Si706 2114 0.0 -1 14 {} Si 0.0 {0.38734 0.0307217 0.734474} Si707 2115 0.0 -1 14 {} Si 0.0 {0.397447 0.0265481 0.817168} Si708 2116 0.0 -1 8 {} O 0.0 {0.387234 0.997623 0.70485} O1409 2117 0.0 -1 8 {} O 0.0 {0.397711 0.0126243 0.850929} O1410 2118 0.0 -1 8 {} O 0.0 {0.387788 0.0208457 0.675885} O1411 2119 0.0 -1 8 {} O 0.0 {0.398368 0.0368819 0.868289} O1412 2120 0.0 -1 8 {} O 0.0 {0.401599 0.0273128 0.761746} O1413 2121 0.0 -1 8 {} O 0.0 {0.392003 0.029559 0.784076} O1414 2122 0.0 -1 8 {} O 0.0 {0.391019 0.00183424 0.922994} O1415 2123 0.0 -1 8 {} O 0.0 {0.381427 0.00472229 0.946355} O1416 2124 0.0 -1 14 {} Si 0.0 {0.387051 0.0522486 0.977542} Si709 2125 0.0 -1 14 {} Si 0.0 {0.397306 0.0518698 0.229113} Si710 2126 0.0 -1 14 {} Si 0.0 {0.387614 0.0767726 0.0689381} Si711 2127 0.0 -1 14 {} Si 0.0 {0.398302 0.0765433 0.148056} Si712 2128 0.0 -1 8 {} O 0.0 {0.38625 0.0384892 0.00995195} O1417 2129 0.0 -1 8 {} O 0.0 {0.397707 0.0627893 0.179432} O1418 2130 0.0 -1 8 {} O 0.0 {0.387863 0.0634007 0.0280436} O1419 2131 0.0 -1 8 {} O 0.0 {0.397786 0.0874215 0.201971} O1420 2132 0.0 -1 8 {} O 0.0 {0.40362 0.0804994 0.113188} O1421 2133 0.0 -1 8 {} O 0.0 {0.393189 0.0787278 0.105724} O1422 2134 0.0 -1 8 {} O 0.0 {0.391865 0.0519004 0.265854} O1423 2135 0.0 -1 8 {} O 0.0 {0.382443 0.0503926 0.290141} O1424 2136 0.0 -1 14 {} Si 0.0 {0.38786 0.0531933 0.32446} Si713 2137 0.0 -1 14 {} Si 0.0 {0.396825 0.0558489 0.564595} Si714 2138 0.0 -1 14 {} Si 0.0 {0.386642 0.0783852 0.398831} Si715 2139 0.0 -1 14 {} Si 0.0 {0.396598 0.0811196 0.487827} Si716 2140 0.0 -1 8 {} O 0.0 {0.389503 0.0409336 0.365465} O1425 2141 0.0 -1 8 {} O 0.0 {0.397778 0.0684853 0.528325} O1426 2142 0.0 -1 8 {} O 0.0 {0.388444 0.067373 0.349954} O1427 2143 0.0 -1 8 {} O 0.0 {0.39641 0.0931408 0.535045} O1428 2144 0.0 -1 8 {} O 0.0 {0.401579 0.0824701 0.443639} O1429 2145 0.0 -1 8 {} O 0.0 {0.391407 0.0800955 0.447089} O1430 2146 0.0 -1 8 {} O 0.0 {0.391586 0.0547543 0.605916} O1431 2147 0.0 -1 8 {} O 0.0 {0.381814 0.0527622 0.602628} O1432 2148 0.0 -1 14 {} Si 0.0 {0.3866 0.054831 0.64895} Si717 2149 0.0 -1 14 {} Si 0.0 {0.397781 0.0505071 0.900388} Si718 2150 0.0 -1 14 {} Si 0.0 {0.387453 0.0775958 0.741482} Si719 2151 0.0 -1 14 {} Si 0.0 {0.39779 0.0742376 0.814644} Si720 2152 0.0 -1 8 {} O 0.0 {0.387091 0.0447181 0.706127} O1433 2153 0.0 -1 8 {} O 0.0 {0.399208 0.0617299 0.852061} O1434 2154 0.0 -1 8 {} O 0.0 {0.385876 0.0678815 0.685177} O1435 2155 0.0 -1 8 {} O 0.0 {0.398013 0.0862335 0.869215} O1436 2156 0.0 -1 8 {} O 0.0 {0.402252 0.0791158 0.767495} O1437 2157 0.0 -1 8 {} O 0.0 {0.39241 0.0736545 0.781302} O1438 2158 0.0 -1 8 {} O 0.0 {0.391848 0.0523969 0.928687} O1439 2159 0.0 -1 8 {} O 0.0 {0.381582 0.05473 0.943321} O1440 2160 0.0 -1 14 {} Si 0.0 {0.406916 0.953919 0.977087} Si721 2161 0.0 -1 14 {} Si 0.0 {0.417695 0.953929 0.239013} Si722 2162 0.0 -1 14 {} Si 0.0 {0.407429 0.978059 0.0613661} Si723 2163 0.0 -1 14 {} Si 0.0 {0.417273 0.979426 0.155659} Si724 2164 0.0 -1 8 {} O 0.0 {0.407345 0.94061 0.0160273} O1441 2165 0.0 -1 8 {} O 0.0 {0.41692 0.966898 0.199617} O1442 2166 0.0 -1 8 {} O 0.0 {0.40878 0.966242 0.0161196} O1443 2167 0.0 -1 8 {} O 0.0 {0.41752 0.99315 0.189554} O1444 2168 0.0 -1 8 {} O 0.0 {0.422457 0.978738 0.116805} O1445 2169 0.0 -1 8 {} O 0.0 {0.41212 0.979088 0.115168} O1446 2170 0.0 -1 8 {} O 0.0 {0.413114 0.95196 0.292329} O1447 2171 0.0 -1 8 {} O 0.0 {0.402893 0.956077 0.25808} O1448 2172 0.0 -1 14 {} Si 0.0 {0.407242 0.954681 0.310657} Si725 2173 0.0 -1 14 {} Si 0.0 {0.41697 0.956307 0.571387} Si726 2174 0.0 -1 14 {} Si 0.0 {0.406663 0.980228 0.392724} Si727 2175 0.0 -1 14 {} Si 0.0 {0.416594 0.978806 0.472313} Si728 2176 0.0 -1 8 {} O 0.0 {0.405804 0.941964 0.351281} O1449 2177 0.0 -1 8 {} O 0.0 {0.415255 0.966933 0.517138} O1450 2178 0.0 -1 8 {} O 0.0 {0.406576 0.965946 0.361322} O1451 2179 0.0 -1 8 {} O 0.0 {0.417866 0.991003 0.516293} O1452 2180 0.0 -1 8 {} O 0.0 {0.421672 0.975 0.435031} O1453 2181 0.0 -1 8 {} O 0.0 {0.412046 0.981855 0.425317} O1454 2182 0.0 -1 8 {} O 0.0 {0.412633 0.953009 0.622538} O1455 2183 0.0 -1 8 {} O 0.0 {0.40188 0.95151 0.594374} O1456 2184 0.0 -1 14 {} Si 0.0 {0.40663 0.951138 0.644322} Si729 2185 0.0 -1 14 {} Si 0.0 {0.417164 0.950071 0.899623} Si730 2186 0.0 -1 14 {} Si 0.0 {0.406752 0.976431 0.731752} Si731 2187 0.0 -1 14 {} Si 0.0 {0.416457 0.975716 0.825907} Si732 2188 0.0 -1 8 {} O 0.0 {0.406412 0.938045 0.688353} O1457 2189 0.0 -1 8 {} O 0.0 {0.417506 0.961091 0.851321} O1458 2190 0.0 -1 8 {} O 0.0 {0.405988 0.963607 0.692922} O1459 2191 0.0 -1 8 {} O 0.0 {0.416269 0.986525 0.880122} O1460 2192 0.0 -1 8 {} O 0.0 {0.42144 0.979624 0.780772} O1461 2193 0.0 -1 8 {} O 0.0 {0.411114 0.974314 0.784705} O1462 2194 0.0 -1 8 {} O 0.0 {0.411035 0.949697 0.921537} O1463 2195 0.0 -1 8 {} O 0.0 {0.401087 0.955453 0.949052} O1464 2196 0.0 -1 14 {} Si 0.0 {0.406686 0.00359607 0.981446} Si733 2197 0.0 -1 14 {} Si 0.0 {0.417754 0.00506365 0.239446} Si734 2198 0.0 -1 14 {} Si 0.0 {0.407967 0.0296007 0.0631168} Si735 2199 0.0 -1 14 {} Si 0.0 {0.417747 0.029868 0.155121} Si736 2200 0.0 -1 8 {} O 0.0 {0.407659 0.991104 0.0242635} O1465 2201 0.0 -1 8 {} O 0.0 {0.418872 0.0175438 0.198667} O1466 2202 0.0 -1 8 {} O 0.0 {0.407924 0.0160089 0.0261754} O1467 2203 0.0 -1 8 {} O 0.0 {0.415873 0.0414392 0.196368} O1468 2204 0.0 -1 8 {} O 0.0 {0.422759 0.0328293 0.11253} O1469 2205 0.0 -1 8 {} O 0.0 {0.412614 0.0268098 0.111483} O1470 2206 0.0 -1 8 {} O 0.0 {0.412734 0.00434029 0.28414} O1471 2207 0.0 -1 8 {} O 0.0 {0.40279 0.00591648 0.25543} O1472 2208 0.0 -1 14 {} Si 0.0 {0.406985 0.00491528 0.312936} Si737 2209 0.0 -1 14 {} Si 0.0 {0.41676 0.00178958 0.567177} Si738 2210 0.0 -1 14 {} Si 0.0 {0.407272 0.0269483 0.409531} Si739 2211 0.0 -1 14 {} Si 0.0 {0.417302 0.0275088 0.487726} Si740 2212 0.0 -1 8 {} O 0.0 {0.405654 0.990832 0.343246} O1473 2213 0.0 -1 8 {} O 0.0 {0.416673 0.015241 0.528221} O1474 2214 0.0 -1 8 {} O 0.0 {0.405602 0.0158271 0.362925} O1475 2215 0.0 -1 8 {} O 0.0 {0.416491 0.0406619 0.526755} O1476 2216 0.0 -1 8 {} O 0.0 {0.422981 0.0283383 0.458605} O1477 2217 0.0 -1 8 {} O 0.0 {0.413212 0.025942 0.434772} O1478 2218 0.0 -1 8 {} O 0.0 {0.410781 0.000389119 0.591039} O1479 2219 0.0 -1 8 {} O 0.0 {0.401253 0.00109695 0.625946} O1480 2220 0.0 -1 14 {} Si 0.0 {0.407095 0.000687466 0.650466} Si741 2221 0.0 -1 14 {} Si 0.0 {0.416103 0.00149662 0.895079} Si742 2222 0.0 -1 14 {} Si 0.0 {0.406907 0.0275104 0.727012} Si743 2223 0.0 -1 14 {} Si 0.0 {0.417062 0.0255576 0.806668} Si744 2224 0.0 -1 8 {} O 0.0 {0.408645 0.987735 0.6851} O1481 2225 0.0 -1 8 {} O 0.0 {0.417043 0.0108982 0.835651} O1482 2226 0.0 -1 8 {} O 0.0 {0.40786 0.0136983 0.689628} O1483 2227 0.0 -1 8 {} O 0.0 {0.41778 0.0360337 0.864832} O1484 2228 0.0 -1 8 {} O 0.0 {0.421988 0.0261846 0.761572} O1485 2229 0.0 -1 8 {} O 0.0 {0.411247 0.0273404 0.778749} O1486 2230 0.0 -1 8 {} O 0.0 {0.410509 0.00423393 0.92374} O1487 2231 0.0 -1 8 {} O 0.0 {0.401007 0.00399055 0.956115} O1488 2232 0.0 -1 14 {} Si 0.0 {0.407707 0.0535871 0.979658} Si745 2233 0.0 -1 14 {} Si 0.0 {0.416661 0.054071 0.242293} Si746 2234 0.0 -1 14 {} Si 0.0 {0.408339 0.0795328 0.0644751} Si747 2235 0.0 -1 14 {} Si 0.0 {0.417366 0.0781015 0.15949} Si748 2236 0.0 -1 8 {} O 0.0 {0.409522 0.0413886 0.0194505} O1489 2237 0.0 -1 8 {} O 0.0 {0.415777 0.0671161 0.203773} O1490 2238 0.0 -1 8 {} O 0.0 {0.40767 0.0669803 0.0211648} O1491 2239 0.0 -1 8 {} O 0.0 {0.416639 0.0916954 0.195836} O1492 2240 0.0 -1 8 {} O 0.0 {0.423112 0.0790462 0.128123} O1493 2241 0.0 -1 8 {} O 0.0 {0.41403 0.079279 0.0958227} O1494 2242 0.0 -1 8 {} O 0.0 {0.412766 0.0536961 0.29915} O1495 2243 0.0 -1 8 {} O 0.0 {0.402609 0.0519314 0.271331} O1496 2244 0.0 -1 14 {} Si 0.0 {0.407021 0.0527672 0.326165} Si749 2245 0.0 -1 14 {} Si 0.0 {0.416692 0.0544832 0.558121} Si750 2246 0.0 -1 14 {} Si 0.0 {0.406242 0.0793036 0.397896} Si751 2247 0.0 -1 14 {} Si 0.0 {0.416925 0.0791731 0.477641} Si752 2248 0.0 -1 8 {} O 0.0 {0.406826 0.0403379 0.369555} O1497 2249 0.0 -1 8 {} O 0.0 {0.416539 0.0652661 0.505425} O1498 2250 0.0 -1 8 {} O 0.0 {0.405813 0.0653126 0.366713} O1499 2251 0.0 -1 8 {} O 0.0 {0.415506 0.090429 0.528897} O1500 2252 0.0 -1 8 {} O 0.0 {0.422604 0.0821548 0.446935} O1501 2253 0.0 -1 8 {} O 0.0 {0.412055 0.0822415 0.427503} O1502 2254 0.0 -1 8 {} O 0.0 {0.41158 0.0556671 0.597468} O1503 2255 0.0 -1 8 {} O 0.0 {0.401912 0.0528603 0.603972} O1504 2256 0.0 -1 14 {} Si 0.0 {0.406986 0.052285 0.648039} Si753 2257 0.0 -1 14 {} Si 0.0 {0.417057 0.0502581 0.893656} Si754 2258 0.0 -1 14 {} Si 0.0 {0.407556 0.0769646 0.731803} Si755 2259 0.0 -1 14 {} Si 0.0 {0.41755 0.074188 0.810589} Si756 2260 0.0 -1 8 {} O 0.0 {0.407704 0.0385865 0.678803} O1505 2261 0.0 -1 8 {} O 0.0 {0.418239 0.0597363 0.837647} O1506 2262 0.0 -1 8 {} O 0.0 {0.407099 0.0631822 0.69982} O1507 2263 0.0 -1 8 {} O 0.0 {0.416786 0.0833542 0.877001} O1508 2264 0.0 -1 8 {} O 0.0 {0.422745 0.0793747 0.779155} O1509 2265 0.0 -1 8 {} O 0.0 {0.412586 0.0781135 0.773692} O1510 2266 0.0 -1 8 {} O 0.0 {0.411486 0.0537917 0.919395} O1511 2267 0.0 -1 8 {} O 0.0 {0.401766 0.0515578 0.956858} O1512 2268 0.0 -1 14 {} Si 0.0 {0.426445 0.952843 0.991047} Si757 2269 0.0 -1 14 {} Si 0.0 {0.438292 0.954934 0.228791} Si758 2270 0.0 -1 14 {} Si 0.0 {0.427297 0.978885 0.0691118} Si759 2271 0.0 -1 14 {} Si 0.0 {0.436862 0.980633 0.155353} Si760 2272 0.0 -1 8 {} O 0.0 {0.426589 0.940403 0.036113} O1513 2273 0.0 -1 8 {} O 0.0 {0.437193 0.966097 0.180853} O1514 2274 0.0 -1 8 {} O 0.0 {0.427114 0.965625 0.0323585} O1515 2275 0.0 -1 8 {} O 0.0 {0.435523 0.992229 0.199532} O1516 2276 0.0 -1 8 {} O 0.0 {0.442323 0.982872 0.116742} O1517 2277 0.0 -1 8 {} O 0.0 {0.432613 0.981183 0.102096} O1518 2278 0.0 -1 8 {} O 0.0 {0.433571 0.951135 0.271249} O1519 2279 0.0 -1 8 {} O 0.0 {0.423358 0.95509 0.269443} O1520 2280 0.0 -1 14 {} Si 0.0 {0.42864 0.955227 0.313591} Si761 2281 0.0 -1 14 {} Si 0.0 {0.437568 0.954414 0.577167} Si762 2282 0.0 -1 14 {} Si 0.0 {0.427341 0.979169 0.410405} Si763 2283 0.0 -1 14 {} Si 0.0 {0.437564 0.978492 0.49408} Si764 2284 0.0 -1 8 {} O 0.0 {0.427719 0.943617 0.361539} O1521 2285 0.0 -1 8 {} O 0.0 {0.438121 0.968534 0.548551} O1522 2286 0.0 -1 8 {} O 0.0 {0.428733 0.967995 0.360742} O1523 2287 0.0 -1 8 {} O 0.0 {0.438608 0.992451 0.519403} O1524 2288 0.0 -1 8 {} O 0.0 {0.441166 0.97521 0.436388} O1525 2289 0.0 -1 8 {} O 0.0 {0.431642 0.978346 0.466376} O1526 2290 0.0 -1 8 {} O 0.0 {0.431987 0.952914 0.611316} O1527 2291 0.0 -1 8 {} O 0.0 {0.422275 0.95907 0.612263} O1528 2292 0.0 -1 14 {} Si 0.0 {0.426744 0.954731 0.658175} Si765 2293 0.0 -1 14 {} Si 0.0 {0.436701 0.954626 0.914385} Si766 2294 0.0 -1 14 {} Si 0.0 {0.426753 0.979387 0.742204} Si767 2295 0.0 -1 14 {} Si 0.0 {0.437313 0.979234 0.826714} Si768 2296 0.0 -1 8 {} O 0.0 {0.426136 0.940072 0.686435} O1529 2297 0.0 -1 8 {} O 0.0 {0.437047 0.966374 0.868316} O1530 2298 0.0 -1 8 {} O 0.0 {0.42706 0.965555 0.711663} O1531 2299 0.0 -1 8 {} O 0.0 {0.437103 0.991146 0.874077} O1532 2300 0.0 -1 8 {} O 0.0 {0.442411 0.980335 0.783238} O1533 2301 0.0 -1 8 {} O 0.0 {0.432283 0.979668 0.783081} O1534 2302 0.0 -1 8 {} O 0.0 {0.431245 0.952494 0.944359} O1535 2303 0.0 -1 8 {} O 0.0 {0.421214 0.951163 0.956721} O1536 2304 0.0 -1 14 {} Si 0.0 {0.425819 0.00359036 0.983361} Si769 2305 0.0 -1 14 {} Si 0.0 {0.436862 0.00540995 0.241139} Si770 2306 0.0 -1 14 {} Si 0.0 {0.426963 0.0277163 0.0660194} Si771 2307 0.0 -1 14 {} Si 0.0 {0.437096 0.0303836 0.15189} Si772 2308 0.0 -1 8 {} O 0.0 {0.426382 0.989303 0.0115036} O1537 2309 0.0 -1 8 {} O 0.0 {0.436625 0.0189938 0.203209} O1538 2310 0.0 -1 8 {} O 0.0 {0.425586 0.0142629 0.0376062} O1539 2311 0.0 -1 8 {} O 0.0 {0.435725 0.0439882 0.179344} O1540 2312 0.0 -1 8 {} O 0.0 {0.442639 0.03028 0.117397} O1541 2313 0.0 -1 8 {} O 0.0 {0.43262 0.0269224 0.101327} O1542 2314 0.0 -1 8 {} O 0.0 {0.432411 0.00576009 0.2931} O1543 2315 0.0 -1 8 {} O 0.0 {0.422534 0.00210891 0.28639} O1544 2316 0.0 -1 14 {} Si 0.0 {0.427133 0.0050976 0.333565} Si773 2317 0.0 -1 14 {} Si 0.0 {0.437281 0.00410689 0.566799} Si774 2318 0.0 -1 14 {} Si 0.0 {0.427126 0.0311562 0.402902} Si775 2319 0.0 -1 14 {} Si 0.0 {0.43769 0.0301889 0.483983} Si776 2320 0.0 -1 8 {} O 0.0 {0.427471 0.993152 0.378739} O1545 2321 0.0 -1 8 {} O 0.0 {0.436969 0.0171891 0.528798} O1546 2322 0.0 -1 8 {} O 0.0 {0.426433 0.0197563 0.354405} O1547 2323 0.0 -1 8 {} O 0.0 {0.436785 0.0412357 0.534154} O1548 2324 0.0 -1 8 {} O 0.0 {0.442784 0.0311181 0.446859} O1549 2325 0.0 -1 8 {} O 0.0 {0.432868 0.0303183 0.435879} O1550 2326 0.0 -1 8 {} O 0.0 {0.4315 0.00169941 0.594313} O1551 2327 0.0 -1 8 {} O 0.0 {0.421266 0.00238075 0.614952} O1552 2328 0.0 -1 14 {} Si 0.0 {0.427012 0.00246237 0.646618} Si777 2329 0.0 -1 14 {} Si 0.0 {0.436371 0.00561182 0.903217} Si778 2330 0.0 -1 14 {} Si 0.0 {0.427117 0.0275678 0.720772} Si779 2331 0.0 -1 14 {} Si 0.0 {0.436192 0.0290853 0.816729} Si780 2332 0.0 -1 8 {} O 0.0 {0.427394 0.989237 0.686204} O1553 2333 0.0 -1 8 {} O 0.0 {0.435539 0.0150925 0.846033} O1554 2334 0.0 -1 8 {} O 0.0 {0.428446 0.0141893 0.688394} O1555 2335 0.0 -1 8 {} O 0.0 {0.435802 0.0392143 0.872407} O1556 2336 0.0 -1 8 {} O 0.0 {0.441786 0.0292228 0.781119} O1557 2337 0.0 -1 8 {} O 0.0 {0.431703 0.0319069 0.766373} O1558 2338 0.0 -1 8 {} O 0.0 {0.431127 0.00700332 0.947184} O1559 2339 0.0 -1 8 {} O 0.0 {0.420733 0.00456728 0.943831} O1560 2340 0.0 -1 14 {} Si 0.0 {0.426543 0.0521177 0.986583} Si781 2341 0.0 -1 14 {} Si 0.0 {0.437244 0.0540869 0.237413} Si782 2342 0.0 -1 14 {} Si 0.0 {0.427122 0.0760485 0.07209} Si783 2343 0.0 -1 14 {} Si 0.0 {0.437255 0.0773038 0.149202} Si784 2344 0.0 -1 8 {} O 0.0 {0.427571 0.0378871 0.010638} O1561 2345 0.0 -1 8 {} O 0.0 {0.435984 0.067665 0.206166} O1562 2346 0.0 -1 8 {} O 0.0 {0.426272 0.0620324 0.0416322} O1563 2347 0.0 -1 8 {} O 0.0 {0.437089 0.091288 0.180849} O1564 2348 0.0 -1 8 {} O 0.0 {0.442956 0.0765675 0.123213} O1565 2349 0.0 -1 8 {} O 0.0 {0.432789 0.0778729 0.0956} O1566 2350 0.0 -1 8 {} O 0.0 {0.432498 0.0534887 0.288921} O1567 2351 0.0 -1 8 {} O 0.0 {0.422553 0.0545294 0.268687} O1568 2352 0.0 -1 14 {} Si 0.0 {0.426989 0.0560377 0.319767} Si785 2353 0.0 -1 14 {} Si 0.0 {0.437423 0.0539645 0.576578} Si786 2354 0.0 -1 14 {} Si 0.0 {0.42725 0.0805791 0.401398} Si787 2355 0.0 -1 14 {} Si 0.0 {0.437513 0.0773962 0.485298} Si788 2356 0.0 -1 8 {} O 0.0 {0.426184 0.0452907 0.372297} O1569 2357 0.0 -1 8 {} O 0.0 {0.438301 0.0657116 0.531212} O1570 2358 0.0 -1 8 {} O 0.0 {0.426503 0.0701371 0.346066} O1571 2359 0.0 -1 8 {} O 0.0 {0.437393 0.0899849 0.531252} O1572 2360 0.0 -1 8 {} O 0.0 {0.442363 0.0805243 0.441004} O1573 2361 0.0 -1 8 {} O 0.0 {0.432301 0.0772761 0.442651} O1574 2362 0.0 -1 8 {} O 0.0 {0.431876 0.055761 0.609857} O1575 2363 0.0 -1 8 {} O 0.0 {0.421632 0.0552924 0.599073} O1576 2364 0.0 -1 14 {} Si 0.0 {0.426445 0.0526329 0.64665} Si789 2365 0.0 -1 14 {} Si 0.0 {0.436588 0.0531697 0.900188} Si790 2366 0.0 -1 14 {} Si 0.0 {0.427245 0.077089 0.726915} Si791 2367 0.0 -1 14 {} Si 0.0 {0.437174 0.0769168 0.808217} Si792 2368 0.0 -1 8 {} O 0.0 {0.425889 0.038098 0.66982} O1577 2369 0.0 -1 8 {} O 0.0 {0.436615 0.0638803 0.842963} O1578 2370 0.0 -1 8 {} O 0.0 {0.426412 0.0627037 0.701983} O1579 2371 0.0 -1 8 {} O 0.0 {0.436404 0.0895665 0.853811} O1580 2372 0.0 -1 8 {} O 0.0 {0.443 0.0790579 0.784191} O1581 2373 0.0 -1 8 {} O 0.0 {0.433046 0.0791622 0.756235} O1582 2374 0.0 -1 8 {} O 0.0 {0.431884 0.0560458 0.946898} O1583 2375 0.0 -1 8 {} O 0.0 {0.421048 0.0525631 0.948113} O1584 2376 0.0 -1 14 {} Si 0.0 {0.44663 0.957479 0.99428} Si793 2377 0.0 -1 14 {} Si 0.0 {0.457768 0.955409 0.237025} Si794 2378 0.0 -1 14 {} Si 0.0 {0.447069 0.983168 0.0683961} Si795 2379 0.0 -1 14 {} Si 0.0 {0.457312 0.979871 0.148092} Si796 2380 0.0 -1 8 {} O 0.0 {0.446972 0.947931 0.0529297} O1585 2381 0.0 -1 8 {} O 0.0 {0.457048 0.968494 0.197431} O1586 2382 0.0 -1 8 {} O 0.0 {0.445857 0.971982 0.0177387} O1587 2383 0.0 -1 8 {} O 0.0 {0.457017 0.992879 0.18794} O1588 2384 0.0 -1 8 {} O 0.0 {0.462513 0.97897 0.108924} O1589 2385 0.0 -1 8 {} O 0.0 {0.452391 0.979221 0.104623} O1590 2386 0.0 -1 8 {} O 0.0 {0.453426 0.952335 0.288748} O1591 2387 0.0 -1 8 {} O 0.0 {0.443216 0.958364 0.272437} O1592 2388 0.0 -1 14 {} Si 0.0 {0.447814 0.954757 0.317586} Si797 2389 0.0 -1 14 {} Si 0.0 {0.456899 0.9527 0.562575} Si798 2390 0.0 -1 14 {} Si 0.0 {0.44689 0.977736 0.406872} Si799 2391 0.0 -1 14 {} Si 0.0 {0.457023 0.977835 0.487132} Si800 2392 0.0 -1 8 {} O 0.0 {0.446319 0.940223 0.344007} O1593 2393 0.0 -1 8 {} O 0.0 {0.456292 0.962529 0.507438} O1594 2394 0.0 -1 8 {} O 0.0 {0.448754 0.964365 0.375516} O1595 2395 0.0 -1 8 {} O 0.0 {0.457259 0.987235 0.544746} O1596 2396 0.0 -1 8 {} O 0.0 {0.462052 0.98109 0.447534} O1597 2397 0.0 -1 8 {} O 0.0 {0.45164 0.980988 0.450931} O1598 2398 0.0 -1 8 {} O 0.0 {0.45261 0.954575 0.617267} O1599 2399 0.0 -1 8 {} O 0.0 {0.442869 0.949948 0.612073} O1600 2400 0.0 -1 14 {} Si 0.0 {0.447475 0.95252 0.658697} Si801 2401 0.0 -1 14 {} Si 0.0 {0.456549 0.953248 0.909106} Si802 2402 0.0 -1 14 {} Si 0.0 {0.447197 0.976862 0.740897} Si803 2403 0.0 -1 14 {} Si 0.0 {0.457514 0.977354 0.824536} Si804 2404 0.0 -1 8 {} O 0.0 {0.448634 0.938502 0.688744} O1601 2405 0.0 -1 8 {} O 0.0 {0.45748 0.963773 0.857079} O1602 2406 0.0 -1 8 {} O 0.0 {0.447055 0.962753 0.713223} O1603 2407 0.0 -1 8 {} O 0.0 {0.45704 0.988458 0.881072} O1604 2408 0.0 -1 8 {} O 0.0 {0.462568 0.979724 0.7843} O1605 2409 0.0 -1 8 {} O 0.0 {0.452333 0.979286 0.782861} O1606 2410 0.0 -1 8 {} O 0.0 {0.451217 0.952764 0.948966} O1607 2411 0.0 -1 8 {} O 0.0 {0.441231 0.952566 0.962292} O1608 2412 0.0 -1 14 {} Si 0.0 {0.44661 0.00766742 0.977077} Si805 2413 0.0 -1 14 {} Si 0.0 {0.456736 0.00569816 0.227667} Si806 2414 0.0 -1 14 {} Si 0.0 {0.447192 0.0321501 0.06675} Si807 2415 0.0 -1 14 {} Si 0.0 {0.457434 0.0305192 0.14874} Si808 2416 0.0 -1 8 {} O 0.0 {0.446614 0.995678 0.0238212} O1609 2417 0.0 -1 8 {} O 0.0 {0.455699 0.0181363 0.185297} O1610 2418 0.0 -1 8 {} O 0.0 {0.447927 0.0199549 0.023206} O1611 2419 0.0 -1 8 {} O 0.0 {0.457721 0.0426382 0.194485} O1612 2420 0.0 -1 8 {} O 0.0 {0.462918 0.0279288 0.114213} O1613 2421 0.0 -1 8 {} O 0.0 {0.452529 0.0341456 0.102985} O1614 2422 0.0 -1 8 {} O 0.0 {0.452487 0.00461225 0.280455} O1615 2423 0.0 -1 8 {} O 0.0 {0.442443 0.00342867 0.266758} O1616 2424 0.0 -1 14 {} Si 0.0 {0.446981 0.00207568 0.316362} Si809 2425 0.0 -1 14 {} Si 0.0 {0.456953 0.00166162 0.571478} Si810 2426 0.0 -1 14 {} Si 0.0 {0.447578 0.0266273 0.402611} Si811 2427 0.0 -1 14 {} Si 0.0 {0.457894 0.0266286 0.486669} Si812 2428 0.0 -1 8 {} O 0.0 {0.446505 0.988465 0.351102} O1617 2429 0.0 -1 8 {} O 0.0 {0.457708 0.0120748 0.514484} O1618 2430 0.0 -1 8 {} O 0.0 {0.446611 0.013191 0.369841} O1619 2431 0.0 -1 8 {} O 0.0 {0.457342 0.0380273 0.536729} O1620 2432 0.0 -1 8 {} O 0.0 {0.462657 0.0283484 0.442883} O1621 2433 0.0 -1 8 {} O 0.0 {0.452525 0.0274622 0.449261} O1622 2434 0.0 -1 8 {} O 0.0 {0.451933 0.00293278 0.61615} O1623 2435 0.0 -1 8 {} O 0.0 {0.441482 0.00310328 0.618928} O1624 2436 0.0 -1 14 {} Si 0.0 {0.446912 0.0011043 0.658586} Si813 2437 0.0 -1 14 {} Si 0.0 {0.457337 0.00332343 0.907859} Si814 2438 0.0 -1 14 {} Si 0.0 {0.446672 0.0254728 0.741315} Si815 2439 0.0 -1 14 {} Si 0.0 {0.457338 0.026732 0.81931} Si816 2440 0.0 -1 8 {} O 0.0 {0.446995 0.986451 0.684064} O1625 2441 0.0 -1 8 {} O 0.0 {0.458916 0.014661 0.859876} O1626 2442 0.0 -1 8 {} O 0.0 {0.44687 0.0112729 0.713957} O1627 2443 0.0 -1 8 {} O 0.0 {0.457601 0.0392609 0.864798} O1628 2444 0.0 -1 8 {} O 0.0 {0.461529 0.0300631 0.767716} O1629 2445 0.0 -1 8 {} O 0.0 {0.451866 0.0271208 0.786043} O1630 2446 0.0 -1 8 {} O 0.0 {0.451549 0.00661252 0.932515} O1631 2447 0.0 -1 8 {} O 0.0 {0.441305 0.0103946 0.942661} O1632 2448 0.0 -1 14 {} Si 0.0 {0.446694 0.0558138 0.980355} Si817 2449 0.0 -1 14 {} Si 0.0 {0.457853 0.055299 0.237001} Si818 2450 0.0 -1 14 {} Si 0.0 {0.446949 0.0795067 0.066096} Si819 2451 0.0 -1 14 {} Si 0.0 {0.457065 0.0780729 0.143637} Si820 2452 0.0 -1 8 {} O 0.0 {0.445626 0.0445366 0.0297567} O1633 2453 0.0 -1 8 {} O 0.0 {0.456294 0.0676538 0.196674} O1634 2454 0.0 -1 8 {} O 0.0 {0.446075 0.0698878 0.00964974} O1635 2455 0.0 -1 8 {} O 0.0 {0.457097 0.0920194 0.178212} O1636 2456 0.0 -1 8 {} O 0.0 {0.463086 0.07618 0.118648} O1637 2457 0.0 -1 8 {} O 0.0 {0.452732 0.0787971 0.0888564} O1638 2458 0.0 -1 8 {} O 0.0 {0.453126 0.0526455 0.285848} O1639 2459 0.0 -1 8 {} O 0.0 {0.442911 0.0515651 0.26292} O1640 2460 0.0 -1 14 {} Si 0.0 {0.447296 0.0514573 0.315262} Si821 2461 0.0 -1 14 {} Si 0.0 {0.457538 0.0517696 0.571229} Si822 2462 0.0 -1 14 {} Si 0.0 {0.4467 0.0767487 0.391492} Si823 2463 0.0 -1 14 {} Si 0.0 {0.457088 0.0742803 0.471616} Si824 2464 0.0 -1 8 {} O 0.0 {0.447726 0.0375172 0.351481} O1641 2465 0.0 -1 8 {} O 0.0 {0.457177 0.0625494 0.517692} O1642 2466 0.0 -1 8 {} O 0.0 {0.446067 0.0632337 0.359515} O1643 2467 0.0 -1 8 {} O 0.0 {0.457846 0.0868193 0.516158} O1644 2468 0.0 -1 8 {} O 0.0 {0.462368 0.0745895 0.431753} O1645 2469 0.0 -1 8 {} O 0.0 {0.452037 0.0758312 0.430027} O1646 2470 0.0 -1 8 {} O 0.0 {0.452448 0.0536281 0.610272} O1647 2471 0.0 -1 8 {} O 0.0 {0.44218 0.0531522 0.627553} O1648 2472 0.0 -1 14 {} Si 0.0 {0.447856 0.0498555 0.655312} Si825 2473 0.0 -1 14 {} Si 0.0 {0.457203 0.0532902 0.900858} Si826 2474 0.0 -1 14 {} Si 0.0 {0.447454 0.0755486 0.734295} Si827 2475 0.0 -1 14 {} Si 0.0 {0.457643 0.0770138 0.811902} Si828 2476 0.0 -1 8 {} O 0.0 {0.447876 0.0352622 0.683492} O1649 2477 0.0 -1 8 {} O 0.0 {0.457262 0.063204 0.84433} O1650 2478 0.0 -1 8 {} O 0.0 {0.447955 0.060766 0.709454} O1651 2479 0.0 -1 8 {} O 0.0 {0.457141 0.0893716 0.858769} O1652 2480 0.0 -1 8 {} O 0.0 {0.463374 0.0784967 0.780319} O1653 2481 0.0 -1 8 {} O 0.0 {0.453108 0.0802947 0.762226} O1654 2482 0.0 -1 8 {} O 0.0 {0.452167 0.0554545 0.945163} O1655 2483 0.0 -1 8 {} O 0.0 {0.442223 0.053956 0.927992} O1656 2484 0.0 -1 14 {} Si 0.0 {0.466702 0.957105 0.985322} Si829 2485 0.0 -1 14 {} Si 0.0 {0.477978 0.951613 0.236482} Si830 2486 0.0 -1 14 {} Si 0.0 {0.467828 0.980528 0.0714888} Si831 2487 0.0 -1 14 {} Si 0.0 {0.478065 0.977581 0.152896} Si832 2488 0.0 -1 8 {} O 0.0 {0.467881 0.946104 0.0381557} O1657 2489 0.0 -1 8 {} O 0.0 {0.478074 0.964708 0.19401} O1658 2490 0.0 -1 8 {} O 0.0 {0.467612 0.97104 0.0116193} O1659 2491 0.0 -1 8 {} O 0.0 {0.478418 0.98966 0.198032} O1660 2492 0.0 -1 8 {} O 0.0 {0.482688 0.977516 0.105191} O1661 2493 0.0 -1 8 {} O 0.0 {0.472646 0.978203 0.118649} O1662 2494 0.0 -1 8 {} O 0.0 {0.473594 0.951776 0.289267} O1663 2495 0.0 -1 8 {} O 0.0 {0.463704 0.953591 0.262702} O1664 2496 0.0 -1 14 {} Si 0.0 {0.467889 0.953741 0.31606} Si833 2497 0.0 -1 14 {} Si 0.0 {0.476764 0.953943 0.571634} Si834 2498 0.0 -1 14 {} Si 0.0 {0.466853 0.979319 0.399617} Si835 2499 0.0 -1 14 {} Si 0.0 {0.476911 0.977675 0.484378} Si836 2500 0.0 -1 8 {} O 0.0 {0.466833 0.939915 0.352345} O1665 2501 0.0 -1 8 {} O 0.0 {0.47642 0.963897 0.514949} O1666 2502 0.0 -1 8 {} O 0.0 {0.467032 0.964854 0.369946} O1667 2503 0.0 -1 8 {} O 0.0 {0.477678 0.988142 0.535939} O1668 2504 0.0 -1 8 {} O 0.0 {0.482169 0.977873 0.443944} O1669 2505 0.0 -1 8 {} O 0.0 {0.472112 0.98123 0.438943} O1670 2506 0.0 -1 8 {} O 0.0 {0.472386 0.954089 0.622595} O1671 2507 0.0 -1 8 {} O 0.0 {0.462547 0.954706 0.594439} O1672 2508 0.0 -1 14 {} Si 0.0 {0.466524 0.953685 0.648609} Si837 2509 0.0 -1 14 {} Si 0.0 {0.47637 0.950632 0.898601} Si838 2510 0.0 -1 14 {} Si 0.0 {0.467117 0.978456 0.73708} Si839 2511 0.0 -1 14 {} Si 0.0 {0.478007 0.975289 0.81682} Si840 2512 0.0 -1 8 {} O 0.0 {0.465998 0.939978 0.684296} O1673 2513 0.0 -1 8 {} O 0.0 {0.477625 0.961155 0.848399} O1674 2514 0.0 -1 8 {} O 0.0 {0.466501 0.964055 0.705038} O1675 2515 0.0 -1 8 {} O 0.0 {0.477468 0.986559 0.866919} O1676 2516 0.0 -1 8 {} O 0.0 {0.483165 0.977376 0.775176} O1677 2517 0.0 -1 8 {} O 0.0 {0.472873 0.977399 0.77016} O1678 2518 0.0 -1 8 {} O 0.0 {0.47083 0.954777 0.932721} O1679 2519 0.0 -1 8 {} O 0.0 {0.460881 0.95419 0.963217} O1680 2520 0.0 -1 14 {} Si 0.0 {0.467287 0.00461603 0.988577} Si841 2521 0.0 -1 14 {} Si 0.0 {0.477321 0.00337935 0.229695} Si842 2522 0.0 -1 14 {} Si 0.0 {0.467355 0.0307616 0.0643476} Si843 2523 0.0 -1 14 {} Si 0.0 {0.477847 0.0270324 0.135858} Si844 2524 0.0 -1 8 {} O 0.0 {0.467993 0.99498 0.0462859} O1681 2525 0.0 -1 8 {} O 0.0 {0.476823 0.014729 0.177356} O1682 2526 0.0 -1 8 {} O 0.0 {0.467906 0.0188037 0.0170218} O1683 2527 0.0 -1 8 {} O 0.0 {0.47984 0.038949 0.178601} O1684 2528 0.0 -1 8 {} O 0.0 {0.482435 0.0235473 0.087093} O1685 2529 0.0 -1 8 {} O 0.0 {0.472776 0.0319146 0.102146} O1686 2530 0.0 -1 8 {} O 0.0 {0.47204 0.00339049 0.269039} O1687 2531 0.0 -1 8 {} O 0.0 {0.462134 0.00626555 0.266223} O1688 2532 0.0 -1 14 {} Si 0.0 {0.466934 0.00305059 0.311993} Si845 2533 0.0 -1 14 {} Si 0.0 {0.477467 0.00221962 0.564036} Si846 2534 0.0 -1 14 {} Si 0.0 {0.467451 0.0285009 0.397119} Si847 2535 0.0 -1 14 {} Si 0.0 {0.477546 0.0271015 0.485887} Si848 2536 0.0 -1 8 {} O 0.0 {0.465961 0.990117 0.348671} O1689 2537 0.0 -1 8 {} O 0.0 {0.477209 0.0124366 0.508257} O1690 2538 0.0 -1 8 {} O 0.0 {0.467429 0.0146713 0.362381} O1691 2539 0.0 -1 8 {} O 0.0 {0.477441 0.0367869 0.542414} O1692 2540 0.0 -1 8 {} O 0.0 {0.482539 0.0294824 0.444105} O1693 2541 0.0 -1 8 {} O 0.0 {0.472426 0.0283829 0.440322} O1694 2542 0.0 -1 8 {} O 0.0 {0.472187 0.00371879 0.604701} O1695 2543 0.0 -1 8 {} O 0.0 {0.462129 0.004866 0.610062} O1696 2544 0.0 -1 14 {} Si 0.0 {0.467292 0.00227259 0.650907} Si849 2545 0.0 -1 14 {} Si 0.0 {0.476666 0.000852935 0.896999} Si850 2546 0.0 -1 14 {} Si 0.0 {0.466824 0.0271738 0.730432} Si851 2547 0.0 -1 14 {} Si 0.0 {0.476678 0.025303 0.816853} Si852 2548 0.0 -1 8 {} O 0.0 {0.467436 0.98845 0.681108} O1697 2549 0.0 -1 8 {} O 0.0 {0.476635 0.010341 0.839523} O1698 2550 0.0 -1 8 {} O 0.0 {0.467234 0.0129475 0.705603} O1699 2551 0.0 -1 8 {} O 0.0 {0.477408 0.0343697 0.876079} O1700 2552 0.0 -1 8 {} O 0.0 {0.481655 0.0263828 0.776247} O1701 2553 0.0 -1 8 {} O 0.0 {0.47138 0.0289165 0.780343} O1702 2554 0.0 -1 8 {} O 0.0 {0.471242 0.00160537 0.934695} O1703 2555 0.0 -1 8 {} O 0.0 {0.461552 0.00296345 0.962033} O1704 2556 0.0 -1 14 {} Si 0.0 {0.467117 0.0551988 0.984128} Si853 2557 0.0 -1 14 {} Si 0.0 {0.478308 0.0503626 0.223666} Si854 2558 0.0 -1 14 {} Si 0.0 {0.468307 0.0777175 0.0782283} Si855 2559 0.0 -1 14 {} Si 0.0 {0.479175 0.0758231 0.142361} Si856 2560 0.0 -1 8 {} O 0.0 {0.465745 0.0443923 0.0361058} O1705 2561 0.0 -1 8 {} O 0.0 {0.47855 0.0646381 0.194947} O1706 2562 0.0 -1 8 {} O 0.0 {0.468361 0.0679575 0.0195341} O1707 2563 0.0 -1 8 {} O 0.0 {0.481287 0.0880832 0.184683} O1708 2564 0.0 -1 8 {} O 0.0 {0.482989 0.0734825 0.0827504} O1709 2565 0.0 -1 8 {} O 0.0 {0.473675 0.0801475 0.11679} O1710 2566 0.0 -1 8 {} O 0.0 {0.472696 0.050323 0.2547} O1711 2567 0.0 -1 8 {} O 0.0 {0.462864 0.0573245 0.276355} O1712 2568 0.0 -1 14 {} Si 0.0 {0.468242 0.0528261 0.30604} Si857 2569 0.0 -1 14 {} Si 0.0 {0.477711 0.0512973 0.566903} Si858 2570 0.0 -1 14 {} Si 0.0 {0.468272 0.0755479 0.398126} Si859 2571 0.0 -1 14 {} Si 0.0 {0.478243 0.0761254 0.479277} Si860 2572 0.0 -1 8 {} O 0.0 {0.467804 0.0393188 0.343642} O1713 2573 0.0 -1 8 {} O 0.0 {0.478426 0.0617302 0.509375} O1714 2574 0.0 -1 8 {} O 0.0 {0.470123 0.0630823 0.353794} O1715 2575 0.0 -1 8 {} O 0.0 {0.478427 0.0876595 0.527873} O1716 2576 0.0 -1 8 {} O 0.0 {0.482574 0.0776757 0.424415} O1717 2577 0.0 -1 8 {} O 0.0 {0.472692 0.0794189 0.445017} O1718 2578 0.0 -1 8 {} O 0.0 {0.472749 0.0550502 0.605813} O1719 2579 0.0 -1 8 {} O 0.0 {0.462783 0.0534617 0.610957} O1720 2580 0.0 -1 14 {} Si 0.0 {0.468069 0.0514827 0.6508} Si861 2581 0.0 -1 14 {} Si 0.0 {0.477532 0.0489744 0.903265} Si862 2582 0.0 -1 14 {} Si 0.0 {0.468728 0.0748705 0.742468} Si863 2583 0.0 -1 14 {} Si 0.0 {0.478757 0.0734737 0.82349} Si864 2584 0.0 -1 8 {} O 0.0 {0.467816 0.0372189 0.676191} O1721 2585 0.0 -1 8 {} O 0.0 {0.47774 0.0586734 0.844} O1722 2586 0.0 -1 8 {} O 0.0 {0.467998 0.0613395 0.708261} O1723 2587 0.0 -1 8 {} O 0.0 {0.47882 0.080843 0.889409} O1724 2588 0.0 -1 8 {} O 0.0 {0.483891 0.0759652 0.78125} O1725 2589 0.0 -1 8 {} O 0.0 {0.47368 0.0781616 0.786057} O1726 2590 0.0 -1 8 {} O 0.0 {0.472051 0.0521442 0.936882} O1727 2591 0.0 -1 8 {} O 0.0 {0.461904 0.0573918 0.945075} O1728 2592 0.0 -1 14 {} Si 0.0 {0.486574 0.949038 0.982825} Si865 2593 0.0 -1 14 {} Si 0.0 {0.497789 0.954278 0.235993} Si866 2594 0.0 -1 14 {} Si 0.0 {0.487483 0.974523 0.059859} Si867 2595 0.0 -1 14 {} Si 0.0 {0.497451 0.978424 0.144394} Si868 2596 0.0 -1 8 {} O 0.0 {0.487247 0.935489 0.0187422} O1729 2597 0.0 -1 8 {} O 0.0 {0.49759 0.967446 0.197619} O1730 2598 0.0 -1 8 {} O 0.0 {0.486451 0.959941 0.0362255} O1731 2599 0.0 -1 8 {} O 0.0 {0.496734 0.992371 0.176931} O1732 2600 0.0 -1 8 {} O 0.0 {0.502734 0.979383 0.102951} O1733 2601 0.0 -1 8 {} O 0.0 {0.492598 0.974266 0.101111} O1734 2602 0.0 -1 8 {} O 0.0 {0.493376 0.955854 0.288926} O1735 2603 0.0 -1 8 {} O 0.0 {0.483661 0.947764 0.26294} O1736 2604 0.0 -1 14 {} Si 0.0 {0.48794 0.950837 0.317065} Si869 2605 0.0 -1 14 {} Si 0.0 {0.496816 0.953789 0.557165} Si870 2606 0.0 -1 14 {} Si 0.0 {0.486489 0.976279 0.390349} Si871 2607 0.0 -1 14 {} Si 0.0 {0.496742 0.978552 0.476662} Si872 2608 0.0 -1 8 {} O 0.0 {0.488901 0.936772 0.346588} O1737 2609 0.0 -1 8 {} O 0.0 {0.49574 0.96661 0.519713} O1738 2610 0.0 -1 8 {} O 0.0 {0.486248 0.961896 0.363573} O1739 2611 0.0 -1 8 {} O 0.0 {0.496045 0.992357 0.511265} O1740 2612 0.0 -1 8 {} O 0.0 {0.502276 0.978428 0.440073} O1741 2613 0.0 -1 8 {} O 0.0 {0.492272 0.978039 0.423805} O1742 2614 0.0 -1 8 {} O 0.0 {0.492189 0.950205 0.601291} O1743 2615 0.0 -1 8 {} O 0.0 {0.482502 0.955648 0.598542} O1744 2616 0.0 -1 14 {} Si 0.0 {0.487155 0.951071 0.643119} Si873 2617 0.0 -1 14 {} Si 0.0 {0.495992 0.949857 0.890748} Si874 2618 0.0 -1 14 {} Si 0.0 {0.487998 0.975615 0.728614} Si875 2619 0.0 -1 14 {} Si 0.0 {0.497781 0.975344 0.809619} Si876 2620 0.0 -1 8 {} O 0.0 {0.485929 0.93739 0.672761} O1745 2621 0.0 -1 8 {} O 0.0 {0.496245 0.960967 0.837949} O1746 2622 0.0 -1 8 {} O 0.0 {0.487457 0.961362 0.702894} O1747 2623 0.0 -1 8 {} O 0.0 {0.49822 0.985754 0.864426} O1748 2624 0.0 -1 8 {} O 0.0 {0.503249 0.975364 0.776834} O1749 2625 0.0 -1 8 {} O 0.0 {0.493344 0.978814 0.763195} O1750 2626 0.0 -1 8 {} O 0.0 {0.490783 0.950212 0.928803} O1751 2627 0.0 -1 8 {} O 0.0 {0.481054 0.947774 0.945349} O1752 2628 0.0 -1 14 {} Si 0.0 {0.487453 0.999204 0.968756} Si877 2629 0.0 -1 14 {} Si 0.0 {0.496994 0.00318426 0.226446} Si878 2630 0.0 -1 14 {} Si 0.0 {0.487979 0.0229048 0.0566884} Si879 2631 0.0 -1 14 {} Si 0.0 {0.497583 0.0279507 0.148272} Si880 2632 0.0 -1 8 {} O 0.0 {0.48797 0.985135 0.00386622} O1753 2633 0.0 -1 8 {} O 0.0 {0.497447 0.0179564 0.203343} O1754 2634 0.0 -1 8 {} O 0.0 {0.488582 0.00932473 0.0213358} O1755 2635 0.0 -1 8 {} O 0.0 {0.497586 0.0424909 0.174477} O1756 2636 0.0 -1 8 {} O 0.0 {0.502215 0.0242548 0.102588} O1757 2637 0.0 -1 8 {} O 0.0 {0.492009 0.0250786 0.111989} O1758 2638 0.0 -1 8 {} O 0.0 {0.49197 0.00153732 0.270412} O1759 2639 0.0 -1 8 {} O 0.0 {0.482263 0.00710338 0.271272} O1760 2640 0.0 -1 14 {} Si 0.0 {0.486924 0.00130808 0.313694} Si881 2641 0.0 -1 14 {} Si 0.0 {0.497579 0.00137681 0.568209} Si882 2642 0.0 -1 14 {} Si 0.0 {0.487419 0.0243796 0.407263} Si883 2643 0.0 -1 14 {} Si 0.0 {0.49798 0.0269026 0.487292} Si884 2644 0.0 -1 8 {} O 0.0 {0.485909 0.986907 0.337383} O1761 2645 0.0 -1 8 {} O 0.0 {0.498988 0.0158158 0.541797} O1762 2646 0.0 -1 8 {} O 0.0 {0.486855 0.0106702 0.372323} O1763 2647 0.0 -1 8 {} O 0.0 {0.497214 0.0410936 0.515159} O1764 2648 0.0 -1 8 {} O 0.0 {0.503236 0.0270315 0.441624} O1765 2649 0.0 -1 8 {} O 0.0 {0.492602 0.0238744 0.449055} O1766 2650 0.0 -1 8 {} O 0.0 {0.49252 0.00279719 0.612077} O1767 2651 0.0 -1 8 {} O 0.0 {0.482566 0.00440975 0.604711} O1768 2652 0.0 -1 14 {} Si 0.0 {0.487232 6.66689e-005 0.648842} Si885 2653 0.0 -1 14 {} Si 0.0 {0.497914 0.999799 0.890328} Si886 2654 0.0 -1 14 {} Si 0.0 {0.487061 0.0242581 0.73781} Si887 2655 0.0 -1 14 {} Si 0.0 {0.498274 0.0254771 0.803334} Si888 2656 0.0 -1 8 {} O 0.0 {0.486767 0.985405 0.672208} O1769 2657 0.0 -1 8 {} O 0.0 {0.498201 0.0116094 0.835538} O1770 2658 0.0 -1 8 {} O 0.0 {0.48776 0.0102346 0.706577} O1771 2659 0.0 -1 8 {} O 0.0 {0.499171 0.035492 0.855635} O1772 2660 0.0 -1 8 {} O 0.0 {0.502614 0.0260255 0.749693} O1773 2661 0.0 -1 8 {} O 0.0 {0.492529 0.0261917 0.77235} O1774 2662 0.0 -1 8 {} O 0.0 {0.492088 0.00139781 0.918723} O1775 2663 0.0 -1 8 {} O 0.0 {0.481782 0.00207956 0.937448} O1776 2664 0.0 -1 14 {} Si 0.0 {0.488018 0.0483018 0.97309} Si889 2665 0.0 -1 14 {} Si 0.0 {0.497828 0.0525268 0.227463} Si890 2666 0.0 -1 14 {} Si 0.0 {0.488668 0.0742045 0.0522502} Si891 2667 0.0 -1 14 {} Si 0.0 {0.498393 0.0764893 0.142619} Si892 2668 0.0 -1 8 {} O 0.0 {0.488972 0.034993 0.0117884} O1777 2669 0.0 -1 8 {} O 0.0 {0.497569 0.0668807 0.196924} O1778 2670 0.0 -1 8 {} O 0.0 {0.489265 0.0611229 0.0139364} O1779 2671 0.0 -1 8 {} O 0.0 {0.49993 0.0906065 0.170592} O1780 2672 0.0 -1 8 {} O 0.0 {0.503126 0.0725786 0.10087} O1781 2673 0.0 -1 8 {} O 0.0 {0.493323 0.0778469 0.098365} O1782 2674 0.0 -1 8 {} O 0.0 {0.493105 0.0508715 0.273187} O1783 2675 0.0 -1 8 {} O 0.0 {0.482647 0.0495897 0.280956} O1784 2676 0.0 -1 14 {} Si 0.0 {0.488108 0.0488045 0.316065} Si893 2677 0.0 -1 14 {} Si 0.0 {0.497715 0.0517107 0.567236} Si894 2678 0.0 -1 14 {} Si 0.0 {0.487604 0.0748909 0.385699} Si895 2679 0.0 -1 14 {} Si 0.0 {0.497527 0.0744904 0.47438} Si896 2680 0.0 -1 8 {} O 0.0 {0.488563 0.0352973 0.351025} O1785 2681 0.0 -1 8 {} O 0.0 {0.496927 0.0658411 0.534274} O1786 2682 0.0 -1 8 {} O 0.0 {0.4882 0.0597273 0.370101} O1787 2683 0.0 -1 8 {} O 0.0 {0.499095 0.088884 0.49624} O1788 2684 0.0 -1 8 {} O 0.0 {0.502656 0.0702695 0.435541} O1789 2685 0.0 -1 8 {} O 0.0 {0.492667 0.0776709 0.427866} O1790 2686 0.0 -1 8 {} O 0.0 {0.492748 0.0496459 0.609532} O1791 2687 0.0 -1 8 {} O 0.0 {0.482462 0.0521632 0.612576} O1792 2688 0.0 -1 14 {} Si 0.0 {0.487595 0.0485018 0.654718} Si897 2689 0.0 -1 14 {} Si 0.0 {0.498457 0.0484174 0.895445} Si898 2690 0.0 -1 14 {} Si 0.0 {0.488399 0.0735983 0.732321} Si899 2691 0.0 -1 14 {} Si 0.0 {0.498762 0.0749471 0.815611} Si900 2692 0.0 -1 8 {} O 0.0 {0.48696 0.0340019 0.680269} O1793 2693 0.0 -1 8 {} O 0.0 {0.498622 0.0610215 0.850632} O1794 2694 0.0 -1 8 {} O 0.0 {0.487541 0.0593243 0.706474} O1795 2695 0.0 -1 8 {} O 0.0 {0.498037 0.0877434 0.858306} O1796 2696 0.0 -1 8 {} O 0.0 {0.504232 0.0766625 0.777944} O1797 2697 0.0 -1 8 {} O 0.0 {0.493914 0.076058 0.766306} O1798 2698 0.0 -1 8 {} O 0.0 {0.492448 0.048195 0.922665} O1799 2699 0.0 -1 8 {} O 0.0 {0.482096 0.0507451 0.952026} O1800 2700 0.0 -1 14 {} Si 0.0 {0.50638 0.950535 0.977977} Si901 2701 0.0 -1 14 {} Si 0.0 {0.517002 0.951463 0.226091} Si902 2702 0.0 -1 14 {} Si 0.0 {0.507527 0.975671 0.0562485} Si903 2703 0.0 -1 14 {} Si 0.0 {0.517778 0.975822 0.143936} Si904 2704 0.0 -1 8 {} O 0.0 {0.505579 0.937737 0.021845} O1801 2705 0.0 -1 8 {} O 0.0 {0.516987 0.96504 0.194646} O1802 2706 0.0 -1 8 {} O 0.0 {0.505563 0.962237 0.0283242} O1803 2707 0.0 -1 8 {} O 0.0 {0.517298 0.989644 0.176632} O1804 2708 0.0 -1 8 {} O 0.0 {0.523293 0.974152 0.10923} O1805 2709 0.0 -1 8 {} O 0.0 {0.51321 0.974698 0.0932339} O1806 2710 0.0 -1 8 {} O 0.0 {0.513074 0.951282 0.285666} O1807 2711 0.0 -1 8 {} O 0.0 {0.503217 0.95058 0.267837} O1808 2712 0.0 -1 14 {} Si 0.0 {0.507601 0.949825 0.318924} Si905 2713 0.0 -1 14 {} Si 0.0 {0.516641 0.949825 0.561713} Si906 2714 0.0 -1 14 {} Si 0.0 {0.507352 0.975124 0.399565} Si907 2715 0.0 -1 14 {} Si 0.0 {0.517328 0.974101 0.480231} Si908 2716 0.0 -1 8 {} O 0.0 {0.507336 0.935746 0.356246} O1809 2717 0.0 -1 8 {} O 0.0 {0.515542 0.961986 0.519374} O1810 2718 0.0 -1 8 {} O 0.0 {0.507157 0.960042 0.376027} O1811 2719 0.0 -1 8 {} O 0.0 {0.518777 0.9859 0.526284} O1812 2720 0.0 -1 8 {} O 0.0 {0.522424 0.970749 0.441393} O1813 2721 0.0 -1 8 {} O 0.0 {0.51238 0.977891 0.436505} O1814 2722 0.0 -1 8 {} O 0.0 {0.511952 0.946533 0.608192} O1815 2723 0.0 -1 8 {} O 0.0 {0.502281 0.953352 0.596139} O1816 2724 0.0 -1 14 {} Si 0.0 {0.506685 0.949165 0.643184} Si909 2725 0.0 -1 14 {} Si 0.0 {0.517239 0.95088 0.904252} Si910 2726 0.0 -1 14 {} Si 0.0 {0.508196 0.972361 0.732474} Si911 2727 0.0 -1 14 {} Si 0.0 {0.51811 0.974852 0.819433} Si912 2728 0.0 -1 8 {} O 0.0 {0.505236 0.935914 0.676276} O1817 2729 0.0 -1 8 {} O 0.0 {0.518199 0.964542 0.873702} O1818 2730 0.0 -1 8 {} O 0.0 {0.506676 0.959051 0.700812} O1819 2731 0.0 -1 8 {} O 0.0 {0.517804 0.989969 0.841644} O1820 2732 0.0 -1 8 {} O 0.0 {0.523084 0.972352 0.776379} O1821 2733 0.0 -1 8 {} O 0.0 {0.513334 0.972317 0.774149} O1822 2734 0.0 -1 8 {} O 0.0 {0.511933 0.950029 0.943873} O1823 2735 0.0 -1 8 {} O 0.0 {0.501058 0.948693 0.937581} O1824 2736 0.0 -1 14 {} Si 0.0 {0.50768 0.999976 0.972474} Si913 2737 0.0 -1 14 {} Si 0.0 {0.517443 0.99999 0.233534} Si914 2738 0.0 -1 14 {} Si 0.0 {0.507555 0.0232754 0.0674534} Si915 2739 0.0 -1 14 {} Si 0.0 {0.517627 0.0242092 0.151045} Si916 2740 0.0 -1 8 {} O 0.0 {0.50827 0.985824 0.999991} O1825 2741 0.0 -1 8 {} O 0.0 {0.518654 0.0138855 0.207142} O1826 2742 0.0 -1 8 {} O 0.0 {0.508352 0.0111408 0.021581} O1827 2743 0.0 -1 8 {} O 0.0 {0.519162 0.0384992 0.168129} O1828 2744 0.0 -1 8 {} O 0.0 {0.521454 0.0207549 0.0949044} O1829 2745 0.0 -1 8 {} O 0.0 {0.51175 0.0239544 0.120659} O1830 2746 0.0 -1 8 {} O 0.0 {0.511802 0.000815186 0.26617} O1831 2747 0.0 -1 8 {} O 0.0 {0.501888 0.999064 0.273037} O1832 2748 0.0 -1 14 {} Si 0.0 {0.507118 0.99899 0.313673} Si917 2749 0.0 -1 14 {} Si 0.0 {0.517783 0.999747 0.556219} Si918 2750 0.0 -1 14 {} Si 0.0 {0.507392 0.0237773 0.391674} Si919 2751 0.0 -1 14 {} Si 0.0 {0.517583 0.0240186 0.470274} Si920 2752 0.0 -1 8 {} O 0.0 {0.507167 0.984189 0.340363} O1833 2753 0.0 -1 8 {} O 0.0 {0.517222 0.0106422 0.506748} O1834 2754 0.0 -1 8 {} O 0.0 {0.506705 0.00972225 0.364519} O1835 2755 0.0 -1 8 {} O 0.0 {0.517254 0.036225 0.514814} O1836 2756 0.0 -1 8 {} O 0.0 {0.523485 0.0241201 0.441991} O1837 2757 0.0 -1 8 {} O 0.0 {0.512911 0.0260046 0.423187} O1838 2758 0.0 -1 8 {} O 0.0 {0.512232 0.997481 0.589632} O1839 2759 0.0 -1 8 {} O 0.0 {0.502303 0.99527 0.602924} O1840 2760 0.0 -1 14 {} Si 0.0 {0.507709 0.996319 0.640952} Si921 2761 0.0 -1 14 {} Si 0.0 {0.517954 0.00111345 0.891089} Si922 2762 0.0 -1 14 {} Si 0.0 {0.508033 0.0223541 0.718066} Si923 2763 0.0 -1 14 {} Si 0.0 {0.518145 0.0243413 0.802452} Si924 2764 0.0 -1 8 {} O 0.0 {0.508669 0.983736 0.680704} O1841 2765 0.0 -1 8 {} O 0.0 {0.5191 0.0137804 0.853051} O1842 2766 0.0 -1 8 {} O 0.0 {0.508045 0.00851109 0.686116} O1843 2767 0.0 -1 8 {} O 0.0 {0.518369 0.038561 0.829278} O1844 2768 0.0 -1 8 {} O 0.0 {0.522601 0.0243399 0.750779} O1845 2769 0.0 -1 8 {} O 0.0 {0.512501 0.0242758 0.769031} O1846 2770 0.0 -1 8 {} O 0.0 {0.512244 0.00167954 0.919743} O1847 2771 0.0 -1 8 {} O 0.0 {0.502243 0.00232523 0.939929} O1848 2772 0.0 -1 14 {} Si 0.0 {0.508106 0.048498 0.979927} Si925 2773 0.0 -1 14 {} Si 0.0 {0.518486 0.0500583 0.220227} Si926 2774 0.0 -1 14 {} Si 0.0 {0.508463 0.0735795 0.0616003} Si927 2775 0.0 -1 14 {} Si 0.0 {0.5186 0.0750472 0.138601} Si928 2776 0.0 -1 8 {} O 0.0 {0.507914 0.0361757 0.0230028} O1849 2777 0.0 -1 8 {} O 0.0 {0.51821 0.0636096 0.190814} O1850 2778 0.0 -1 8 {} O 0.0 {0.50963 0.0610291 0.0200718} O1851 2779 0.0 -1 8 {} O 0.0 {0.519233 0.087229 0.183288} O1852 2780 0.0 -1 8 {} O 0.0 {0.522755 0.0731295 0.0842148} O1853 2781 0.0 -1 8 {} O 0.0 {0.513119 0.0780731 0.102619} O1854 2782 0.0 -1 8 {} O 0.0 {0.512874 0.0472055 0.250747} O1855 2783 0.0 -1 8 {} O 0.0 {0.50313 0.0518593 0.267348} O1856 2784 0.0 -1 14 {} Si 0.0 {0.508262 0.0480751 0.30487} Si929 2785 0.0 -1 14 {} Si 0.0 {0.518033 0.0482659 0.561648} Si930 2786 0.0 -1 14 {} Si 0.0 {0.508336 0.0709848 0.39769} Si931 2787 0.0 -1 14 {} Si 0.0 {0.519215 0.0726788 0.46549} Si932 2788 0.0 -1 8 {} O 0.0 {0.507059 0.0341238 0.339168} O1857 2789 0.0 -1 8 {} O 0.0 {0.518583 0.0606898 0.514903} O1858 2790 0.0 -1 8 {} O 0.0 {0.509141 0.0584063 0.355596} O1859 2791 0.0 -1 8 {} O 0.0 {0.52044 0.0858979 0.500514} O1860 2792 0.0 -1 8 {} O 0.0 {0.523485 0.0700495 0.411346} O1861 2793 0.0 -1 8 {} O 0.0 {0.513482 0.0751925 0.438624} O1862 2794 0.0 -1 8 {} O 0.0 {0.513288 0.0514313 0.607352} O1863 2795 0.0 -1 8 {} O 0.0 {0.50304 0.0490582 0.604605} O1864 2796 0.0 -1 14 {} Si 0.0 {0.508241 0.04807 0.644074} Si933 2797 0.0 -1 14 {} Si 0.0 {0.517846 0.0474319 0.891803} Si934 2798 0.0 -1 14 {} Si 0.0 {0.508738 0.0722461 0.732686} Si935 2799 0.0 -1 14 {} Si 0.0 {0.518507 0.0729937 0.817908} Si936 2800 0.0 -1 8 {} O 0.0 {0.509205 0.0335754 0.668134} O1865 2801 0.0 -1 8 {} O 0.0 {0.517611 0.0624572 0.866787} O1866 2802 0.0 -1 8 {} O 0.0 {0.507858 0.0578435 0.702109} O1867 2803 0.0 -1 8 {} O 0.0 {0.518297 0.0866559 0.850091} O1868 2804 0.0 -1 8 {} O 0.0 {0.523935 0.0731279 0.782062} O1869 2805 0.0 -1 8 {} O 0.0 {0.514591 0.0728023 0.760323} O1870 2806 0.0 -1 8 {} O 0.0 {0.512397 0.045961 0.926253} O1871 2807 0.0 -1 8 {} O 0.0 {0.502626 0.050475 0.94866} O1872 2808 0.0 -1 14 {} Si 0.0 {0.527187 0.945961 0.982157} Si937 2809 0.0 -1 14 {} Si 0.0 {0.537048 0.945374 0.224709} Si938 2810 0.0 -1 14 {} Si 0.0 {0.527621 0.971476 0.0562442} Si939 2811 0.0 -1 14 {} Si 0.0 {0.537739 0.969368 0.140158} Si940 2812 0.0 -1 8 {} O 0.0 {0.527813 0.932407 0.0195561} O1873 2813 0.0 -1 8 {} O 0.0 {0.537276 0.954745 0.168593} O1874 2814 0.0 -1 8 {} O 0.0 {0.527487 0.957026 0.0362452} O1875 2815 0.0 -1 8 {} O 0.0 {0.536918 0.979407 0.196977} O1876 2816 0.0 -1 8 {} O 0.0 {0.543356 0.972005 0.112918} O1877 2817 0.0 -1 8 {} O 0.0 {0.53348 0.972248 0.0841874} O1878 2818 0.0 -1 8 {} O 0.0 {0.532443 0.948459 0.27225} O1879 2819 0.0 -1 8 {} O 0.0 {0.522459 0.946423 0.251929} O1880 2820 0.0 -1 14 {} Si 0.0 {0.526912 0.946046 0.302467} Si941 2821 0.0 -1 14 {} Si 0.0 {0.537279 0.946132 0.56839} Si942 2822 0.0 -1 14 {} Si 0.0 {0.52745 0.969334 0.39663} Si943 2823 0.0 -1 14 {} Si 0.0 {0.537617 0.969842 0.479357} Si944 2824 0.0 -1 8 {} O 0.0 {0.527338 0.931676 0.336008} O1881 2825 0.0 -1 8 {} O 0.0 {0.537158 0.959835 0.535152} O1882 2826 0.0 -1 8 {} O 0.0 {0.526357 0.956307 0.359699} O1883 2827 0.0 -1 8 {} O 0.0 {0.538289 0.984001 0.505167} O1884 2828 0.0 -1 8 {} O 0.0 {0.542752 0.966108 0.436643} O1885 2829 0.0 -1 8 {} O 0.0 {0.532706 0.968724 0.433556} O1886 2830 0.0 -1 8 {} O 0.0 {0.531877 0.944082 0.60325} O1887 2831 0.0 -1 8 {} O 0.0 {0.52192 0.951756 0.601091} O1888 2832 0.0 -1 14 {} Si 0.0 {0.526912 0.94863 0.643204} Si945 2833 0.0 -1 14 {} Si 0.0 {0.536422 0.949594 0.887792} Si946 2834 0.0 -1 14 {} Si 0.0 {0.527663 0.973091 0.726032} Si947 2835 0.0 -1 14 {} Si 0.0 {0.537509 0.974169 0.807356} Si948 2836 0.0 -1 8 {} O 0.0 {0.525306 0.935948 0.686184} O1889 2837 0.0 -1 8 {} O 0.0 {0.535484 0.962616 0.849003} O1890 2838 0.0 -1 8 {} O 0.0 {0.528437 0.958912 0.693488} O1891 2839 0.0 -1 8 {} O 0.0 {0.538166 0.987655 0.847008} O1892 2840 0.0 -1 8 {} O 0.0 {0.542845 0.969417 0.771212} O1893 2841 0.0 -1 8 {} O 0.0 {0.533125 0.978257 0.75613} O1894 2842 0.0 -1 8 {} O 0.0 {0.531511 0.94644 0.927807} O1895 2843 0.0 -1 8 {} O 0.0 {0.52156 0.944772 0.949152} O1896 2844 0.0 -1 14 {} Si 0.0 {0.527437 0.995274 0.971655} Si949 2845 0.0 -1 14 {} Si 0.0 {0.537167 0.993339 0.229403} Si950 2846 0.0 -1 14 {} Si 0.0 {0.527508 0.0197281 0.0617394} Si951 2847 0.0 -1 14 {} Si 0.0 {0.537489 0.0174945 0.146628} Si952 2848 0.0 -1 8 {} O 0.0 {0.527901 0.980479 0.997975} O1897 2849 0.0 -1 8 {} O 0.0 {0.537124 0.00309135 0.174643} O1898 2850 0.0 -1 8 {} O 0.0 {0.527964 0.00573842 0.0264734} O1899 2851 0.0 -1 8 {} O 0.0 {0.538976 0.0276076 0.200506} O1900 2852 0.0 -1 8 {} O 0.0 {0.541914 0.0183917 0.0931388} O1901 2853 0.0 -1 8 {} O 0.0 {0.532408 0.0208886 0.108374} O1902 2854 0.0 -1 8 {} O 0.0 {0.531577 0.996649 0.265423} O1903 2855 0.0 -1 8 {} O 0.0 {0.521659 0.99413 0.281342} O1904 2856 0.0 -1 14 {} Si 0.0 {0.527116 0.994641 0.31603} Si953 2857 0.0 -1 14 {} Si 0.0 {0.537464 0.996307 0.551163} Si954 2858 0.0 -1 14 {} Si 0.0 {0.527576 0.0208762 0.389589} Si955 2859 0.0 -1 14 {} Si 0.0 {0.537608 0.0212887 0.468273} Si956 2860 0.0 -1 8 {} O 0.0 {0.528234 0.980955 0.347549} O1905 2861 0.0 -1 8 {} O 0.0 {0.536636 0.00814691 0.506315} O1906 2862 0.0 -1 8 {} O 0.0 {0.526411 0.00712101 0.362248} O1907 2863 0.0 -1 8 {} O 0.0 {0.537638 0.0335951 0.514761} O1908 2864 0.0 -1 8 {} O 0.0 {0.543527 0.0213345 0.442968} O1909 2865 0.0 -1 8 {} O 0.0 {0.533435 0.021228 0.41691} O1910 2866 0.0 -1 8 {} O 0.0 {0.532367 0.994859 0.5938} O1911 2867 0.0 -1 8 {} O 0.0 {0.522359 0.00274512 0.603814} O1912 2868 0.0 -1 14 {} Si 0.0 {0.527467 0.998203 0.639271} Si957 2869 0.0 -1 14 {} Si 0.0 {0.53762 0.999255 0.892736} Si958 2870 0.0 -1 14 {} Si 0.0 {0.528519 0.0233278 0.723152} Si959 2871 0.0 -1 14 {} Si 0.0 {0.537894 0.0250955 0.811781} Si960 2872 0.0 -1 8 {} O 0.0 {0.526562 0.985752 0.68214} O1913 2873 0.0 -1 8 {} O 0.0 {0.538773 0.0126033 0.856988} O1914 2874 0.0 -1 8 {} O 0.0 {0.528995 0.00992881 0.687221} O1915 2875 0.0 -1 8 {} O 0.0 {0.539298 0.0388621 0.846126} O1916 2876 0.0 -1 8 {} O 0.0 {0.541959 0.022702 0.756193} O1917 2877 0.0 -1 8 {} O 0.0 {0.532413 0.0248822 0.780243} O1918 2878 0.0 -1 8 {} O 0.0 {0.531709 0.998319 0.918531} O1919 2879 0.0 -1 8 {} O 0.0 {0.521738 0.998165 0.94677} O1920 2880 0.0 -1 14 {} Si 0.0 {0.527939 0.0440606 0.978871} Si961 2881 0.0 -1 14 {} Si 0.0 {0.538515 0.0425312 0.222306} Si962 2882 0.0 -1 14 {} Si 0.0 {0.528537 0.0699796 0.0600377} Si963 2883 0.0 -1 14 {} Si 0.0 {0.537731 0.0683568 0.151933} Si964 2884 0.0 -1 8 {} O 0.0 {0.528146 0.0299309 0.0085949} O1921 2885 0.0 -1 8 {} O 0.0 {0.538671 0.0536969 0.171371} O1922 2886 0.0 -1 8 {} O 0.0 {0.528271 0.0554517 0.0293525} O1923 2887 0.0 -1 8 {} O 0.0 {0.538676 0.0775464 0.211481} O1924 2888 0.0 -1 8 {} O 0.0 {0.542349 0.0722926 0.104029} O1925 2889 0.0 -1 8 {} O 0.0 {0.532407 0.071156 0.116953} O1926 2890 0.0 -1 8 {} O 0.0 {0.532999 0.0439017 0.256615} O1927 2891 0.0 -1 8 {} O 0.0 {0.522781 0.0491776 0.274302} O1928 2892 0.0 -1 14 {} Si 0.0 {0.528145 0.0457609 0.306428} Si965 2893 0.0 -1 14 {} Si 0.0 {0.538178 0.0463567 0.556636} Si966 2894 0.0 -1 14 {} Si 0.0 {0.529359 0.0704855 0.387211} Si967 2895 0.0 -1 14 {} Si 0.0 {0.539095 0.0709698 0.475119} Si968 2896 0.0 -1 8 {} O 0.0 {0.527267 0.0322777 0.341291} O1929 2897 0.0 -1 8 {} O 0.0 {0.540157 0.0581585 0.516373} O1930 2898 0.0 -1 8 {} O 0.0 {0.530079 0.0573375 0.351212} O1931 2899 0.0 -1 8 {} O 0.0 {0.539846 0.0832448 0.519707} O1932 2900 0.0 -1 8 {} O 0.0 {0.543531 0.0730767 0.422074} O1933 2901 0.0 -1 8 {} O 0.0 {0.533256 0.0721544 0.443737} O1934 2902 0.0 -1 8 {} O 0.0 {0.53285 0.0500842 0.587348} O1935 2903 0.0 -1 8 {} O 0.0 {0.523034 0.0464782 0.602976} O1936 2904 0.0 -1 14 {} Si 0.0 {0.528374 0.0490564 0.638365} Si969 2905 0.0 -1 14 {} Si 0.0 {0.537618 0.0489338 0.899606} Si970 2906 0.0 -1 14 {} Si 0.0 {0.528882 0.0719167 0.735829} Si971 2907 0.0 -1 14 {} Si 0.0 {0.538362 0.0736494 0.822291} Si972 2908 0.0 -1 8 {} O 0.0 {0.529288 0.0355608 0.676465} O1937 2909 0.0 -1 8 {} O 0.0 {0.53844 0.0633898 0.877575} O1938 2910 0.0 -1 8 {} O 0.0 {0.52806 0.061654 0.681178} O1939 2911 0.0 -1 8 {} O 0.0 {0.537085 0.0883068 0.84287} O1940 2912 0.0 -1 8 {} O 0.0 {0.543949 0.0742329 0.788637} O1941 2913 0.0 -1 8 {} O 0.0 {0.534375 0.0690203 0.770281} O1942 2914 0.0 -1 8 {} O 0.0 {0.531881 0.0462116 0.923823} O1943 2915 0.0 -1 8 {} O 0.0 {0.522301 0.0458882 0.944995} O1944 2916 0.0 -1 14 {} Si 0.0 {0.546963 0.947137 0.965349} Si973 2917 0.0 -1 14 {} Si 0.0 {0.558887 0.944877 0.227073} Si974 2918 0.0 -1 14 {} Si 0.0 {0.547721 0.969342 0.0612904} Si975 2919 0.0 -1 14 {} Si 0.0 {0.558374 0.969273 0.144005} Si976 2920 0.0 -1 8 {} O 0.0 {0.546715 0.932468 0.987427} O1945 2921 0.0 -1 8 {} O 0.0 {0.55954 0.955319 0.173708} O1946 2922 0.0 -1 8 {} O 0.0 {0.546585 0.955901 0.025536} O1947 2923 0.0 -1 8 {} O 0.0 {0.5575 0.979833 0.200356} O1948 2924 0.0 -1 8 {} O 0.0 {0.562781 0.974576 0.100679} O1949 2925 0.0 -1 8 {} O 0.0 {0.55309 0.968861 0.105453} O1950 2926 0.0 -1 8 {} O 0.0 {0.552878 0.945668 0.249166} O1951 2927 0.0 -1 8 {} O 0.0 {0.542492 0.944981 0.260034} O1952 2928 0.0 -1 14 {} Si 0.0 {0.548161 0.94468 0.296861} Si977 2929 0.0 -1 14 {} Si 0.0 {0.557719 0.94865 0.561711} Si978 2930 0.0 -1 14 {} Si 0.0 {0.547796 0.967364 0.392188} Si979 2931 0.0 -1 14 {} Si 0.0 {0.557578 0.973383 0.481157} Si980 2932 0.0 -1 8 {} O 0.0 {0.548603 0.929321 0.321282} O1953 2933 0.0 -1 8 {} O 0.0 {0.55765 0.963035 0.538156} O1954 2934 0.0 -1 8 {} O 0.0 {0.549033 0.953817 0.357057} O1955 2935 0.0 -1 8 {} O 0.0 {0.557017 0.987846 0.508544} O1956 2936 0.0 -1 8 {} O 0.0 {0.56333 0.9728 0.448524} O1957 2937 0.0 -1 8 {} O 0.0 {0.552617 0.969092 0.43765} O1958 2938 0.0 -1 8 {} O 0.0 {0.552049 0.945343 0.596175} O1959 2939 0.0 -1 8 {} O 0.0 {0.541935 0.944941 0.616876} O1960 2940 0.0 -1 14 {} Si 0.0 {0.547818 0.945386 0.64927} Si981 2941 0.0 -1 14 {} Si 0.0 {0.557325 0.946279 0.890879} Si982 2942 0.0 -1 14 {} Si 0.0 {0.547949 0.969865 0.730165} Si983 2943 0.0 -1 14 {} Si 0.0 {0.558119 0.971127 0.812615} Si984 2944 0.0 -1 8 {} O 0.0 {0.548003 0.931127 0.68316} O1961 2945 0.0 -1 8 {} O 0.0 {0.557808 0.95646 0.835099} O1962 2946 0.0 -1 8 {} O 0.0 {0.548918 0.955552 0.70416} O1963 2947 0.0 -1 8 {} O 0.0 {0.559333 0.981477 0.869183} O1964 2948 0.0 -1 8 {} O 0.0 {0.563263 0.970231 0.766133} O1965 2949 0.0 -1 8 {} O 0.0 {0.552574 0.973749 0.777806} O1966 2950 0.0 -1 8 {} O 0.0 {0.552081 0.950259 0.928736} O1967 2951 0.0 -1 8 {} O 0.0 {0.541936 0.949564 0.923601} O1968 2952 0.0 -1 14 {} Si 0.0 {0.547277 0.994072 0.97427} Si985 2953 0.0 -1 14 {} Si 0.0 {0.557527 0.994471 0.226914} Si986 2954 0.0 -1 14 {} Si 0.0 {0.547381 0.0181501 0.0582752} Si987 2955 0.0 -1 14 {} Si 0.0 {0.557089 0.0186486 0.14522} Si988 2956 0.0 -1 8 {} O 0.0 {0.54766 0.980705 0.00652534} O1969 2957 0.0 -1 8 {} O 0.0 {0.556138 0.00446918 0.171564} O1970 2958 0.0 -1 8 {} O 0.0 {0.548805 0.00546312 0.0218311} O1971 2959 0.0 -1 8 {} O 0.0 {0.558266 0.028842 0.19807} O1972 2960 0.0 -1 8 {} O 0.0 {0.562046 0.0180468 0.100587} O1973 2961 0.0 -1 8 {} O 0.0 {0.552095 0.02208 0.104076} O1974 2962 0.0 -1 8 {} O 0.0 {0.553087 0.995414 0.27676} O1975 2963 0.0 -1 8 {} O 0.0 {0.542109 0.993233 0.275432} O1976 2964 0.0 -1 14 {} Si 0.0 {0.547659 0.993503 0.316316} Si989 2965 0.0 -1 14 {} Si 0.0 {0.55704 0.997545 0.566133} Si990 2966 0.0 -1 14 {} Si 0.0 {0.548451 0.0177208 0.398104} Si991 2967 0.0 -1 14 {} Si 0.0 {0.558186 0.0216117 0.485215} Si992 2968 0.0 -1 8 {} O 0.0 {0.547706 0.979645 0.347342} O1977 2969 0.0 -1 8 {} O 0.0 {0.557231 0.0120689 0.540127} O1978 2970 0.0 -1 8 {} O 0.0 {0.547471 0.00368435 0.371343} O1979 2971 0.0 -1 8 {} O 0.0 {0.557315 0.0358837 0.507985} O1980 2972 0.0 -1 8 {} O 0.0 {0.563563 0.0171119 0.454429} O1981 2973 0.0 -1 8 {} O 0.0 {0.553996 0.0197344 0.430856} O1982 2974 0.0 -1 8 {} O 0.0 {0.551666 0.994527 0.601008} O1983 2975 0.0 -1 8 {} O 0.0 {0.541992 0.998555 0.598454} O1984 2976 0.0 -1 14 {} Si 0.0 {0.54669 0.994014 0.647926} Si993 2977 0.0 -1 14 {} Si 0.0 {0.558147 0.995208 0.896539} Si994 2978 0.0 -1 14 {} Si 0.0 {0.547733 0.0191783 0.728351} Si995 2979 0.0 -1 14 {} Si 0.0 {0.557235 0.0194793 0.81395} Si996 2980 0.0 -1 8 {} O 0.0 {0.546029 0.9803 0.679979} O1985 2981 0.0 -1 8 {} O 0.0 {0.558785 0.00538796 0.84306} O1986 2982 0.0 -1 8 {} O 0.0 {0.547588 0.00467714 0.701933} O1987 2983 0.0 -1 8 {} O 0.0 {0.557649 0.0307302 0.865344} O1988 2984 0.0 -1 8 {} O 0.0 {0.561534 0.0223884 0.756629} O1989 2985 0.0 -1 8 {} O 0.0 {0.551666 0.0195241 0.784929} O1990 2986 0.0 -1 8 {} O 0.0 {0.551999 0.992994 0.92131} O1991 2987 0.0 -1 8 {} O 0.0 {0.541839 0.997978 0.945549} O1992 2988 0.0 -1 14 {} Si 0.0 {0.547549 0.0445969 0.985966} Si997 2989 0.0 -1 14 {} Si 0.0 {0.558152 0.0434195 0.222265} Si998 2990 0.0 -1 14 {} Si 0.0 {0.547613 0.0689109 0.0676175} Si999 2991 0.0 -1 14 {} Si 0.0 {0.557615 0.068706 0.145931} Si1000 2992 0.0 -1 8 {} O 0.0 {0.546771 0.0302857 0.0118188} O1993 2993 0.0 -1 8 {} O 0.0 {0.5576 0.0541421 0.169896} O1994 2994 0.0 -1 8 {} O 0.0 {0.548175 0.0545053 0.0440972} O1995 2995 0.0 -1 8 {} O 0.0 {0.558356 0.0788069 0.204237} O1996 2996 0.0 -1 8 {} O 0.0 {0.562147 0.0699446 0.0960215} O1997 2997 0.0 -1 8 {} O 0.0 {0.552447 0.0732718 0.113022} O1998 2998 0.0 -1 8 {} O 0.0 {0.553073 0.0444984 0.26866} O1999 2999 0.0 -1 8 {} O 0.0 {0.543194 0.0441443 0.272596} O2000 3000 0.0 -1 14 {} Si 0.0 {0.548176 0.0417016 0.312746} Si1001 3001 0.0 -1 14 {} Si 0.0 {0.55732 0.0476284 0.556939} Si1002 3002 0.0 -1 14 {} Si 0.0 {0.548296 0.0676102 0.383085} Si1003 3003 0.0 -1 14 {} Si 0.0 {0.557989 0.0719791 0.466229} Si1004 3004 0.0 -1 8 {} O 0.0 {0.548294 0.027098 0.337513} O2001 3005 0.0 -1 8 {} O 0.0 {0.557649 0.0605833 0.520615} O2002 3006 0.0 -1 8 {} O 0.0 {0.547738 0.0525338 0.368901} O2003 3007 0.0 -1 8 {} O 0.0 {0.557266 0.0860129 0.498709} O2004 3008 0.0 -1 8 {} O 0.0 {0.563827 0.0726697 0.439663} O2005 3009 0.0 -1 8 {} O 0.0 {0.553891 0.0723972 0.411223} O2006 3010 0.0 -1 8 {} O 0.0 {0.55259 0.0472743 0.603351} O2007 3011 0.0 -1 8 {} O 0.0 {0.542682 0.0452658 0.61116} O2008 3012 0.0 -1 14 {} Si 0.0 {0.547861 0.0439653 0.651} Si1005 3013 0.0 -1 14 {} Si 0.0 {0.557101 0.0449812 0.900552} Si1006 3014 0.0 -1 14 {} Si 0.0 {0.547935 0.068133 0.74053} Si1007 3015 0.0 -1 14 {} Si 0.0 {0.558131 0.069099 0.816425} Si1008 3016 0.0 -1 8 {} O 0.0 {0.548583 0.029723 0.678166} O2009 3017 0.0 -1 8 {} O 0.0 {0.558671 0.0550013 0.848476} O2010 3018 0.0 -1 8 {} O 0.0 {0.547421 0.0538038 0.713359} O2011 3019 0.0 -1 8 {} O 0.0 {0.557254 0.0802849 0.868144} O2012 3020 0.0 -1 8 {} O 0.0 {0.56346 0.0734865 0.784919} O2013 3021 0.0 -1 8 {} O 0.0 {0.553636 0.0705812 0.765008} O2014 3022 0.0 -1 8 {} O 0.0 {0.551659 0.0466601 0.934571} O2015 3023 0.0 -1 8 {} O 0.0 {0.54177 0.0470784 0.953999} O2016 3024 0.0 -1 14 {} Si 0.0 {0.567423 0.948996 0.968002} Si1009 3025 0.0 -1 14 {} Si 0.0 {0.578546 0.946759 0.226397} Si1010 3026 0.0 -1 14 {} Si 0.0 {0.567655 0.972852 0.0545817} Si1011 3027 0.0 -1 14 {} Si 0.0 {0.578214 0.969736 0.133698} Si1012 3028 0.0 -1 8 {} O 0.0 {0.568368 0.937342 0.0157413} O2017 3029 0.0 -1 8 {} O 0.0 {0.57881 0.95524 0.163164} O2018 3030 0.0 -1 8 {} O 0.0 {0.566521 0.962078 0.00655305} O2019 3031 0.0 -1 8 {} O 0.0 {0.577503 0.979227 0.190535} O2020 3032 0.0 -1 8 {} O 0.0 {0.583277 0.973176 0.0936205} O2021 3033 0.0 -1 8 {} O 0.0 {0.573112 0.969054 0.0897616} O2022 3034 0.0 -1 8 {} O 0.0 {0.573032 0.947023 0.262268} O2023 3035 0.0 -1 8 {} O 0.0 {0.563323 0.94471 0.280608} O2024 3036 0.0 -1 14 {} Si 0.0 {0.56884 0.945981 0.317751} Si1013 3037 0.0 -1 14 {} Si 0.0 {0.578928 0.948355 0.557454} Si1014 3038 0.0 -1 14 {} Si 0.0 {0.567935 0.970774 0.395784} Si1015 3039 0.0 -1 14 {} Si 0.0 {0.578339 0.971761 0.470044} Si1016 3040 0.0 -1 8 {} O 0.0 {0.569178 0.93196 0.352062} O2025 3041 0.0 -1 8 {} O 0.0 {0.578881 0.957622 0.497753} O2026 3042 0.0 -1 8 {} O 0.0 {0.568226 0.956892 0.368299} O2027 3043 0.0 -1 8 {} O 0.0 {0.578214 0.980728 0.52965} O2028 3044 0.0 -1 8 {} O 0.0 {0.583283 0.974795 0.425663} O2029 3045 0.0 -1 8 {} O 0.0 {0.57323 0.974146 0.428214} O2030 3046 0.0 -1 8 {} O 0.0 {0.573094 0.948838 0.585324} O2031 3047 0.0 -1 8 {} O 0.0 {0.562671 0.945062 0.605447} O2032 3048 0.0 -1 14 {} Si 0.0 {0.568171 0.948717 0.633539} Si1017 3049 0.0 -1 14 {} Si 0.0 {0.578293 0.946097 0.895413} Si1018 3050 0.0 -1 14 {} Si 0.0 {0.568221 0.972364 0.723231} Si1019 3051 0.0 -1 14 {} Si 0.0 {0.578449 0.969558 0.805427} Si1020 3052 0.0 -1 8 {} O 0.0 {0.569167 0.93903 0.689715} O2033 3053 0.0 -1 8 {} O 0.0 {0.579384 0.955867 0.839655} O2034 3054 0.0 -1 8 {} O 0.0 {0.56782 0.962563 0.665868} O2035 3055 0.0 -1 8 {} O 0.0 {0.577913 0.980751 0.853565} O2036 3056 0.0 -1 8 {} O 0.0 {0.583341 0.972643 0.760654} O2037 3057 0.0 -1 8 {} O 0.0 {0.573558 0.96826 0.76029} O2038 3058 0.0 -1 8 {} O 0.0 {0.572665 0.949025 0.92417} O2039 3059 0.0 -1 8 {} O 0.0 {0.562525 0.945463 0.927197} O2040 3060 0.0 -1 14 {} Si 0.0 {0.568311 0.998667 0.975439} Si1021 3061 0.0 -1 14 {} Si 0.0 {0.578019 0.992554 0.22582} Si1022 3062 0.0 -1 14 {} Si 0.0 {0.56761 0.0212146 0.0678283} Si1023 3063 0.0 -1 14 {} Si 0.0 {0.577647 0.0180574 0.150101} Si1024 3064 0.0 -1 8 {} O 0.0 {0.569327 0.985987 0.0158939} O2041 3065 0.0 -1 8 {} O 0.0 {0.578305 0.00409972 0.174739} O2042 3066 0.0 -1 8 {} O 0.0 {0.568608 0.0112213 0.0151716} O2043 3067 0.0 -1 8 {} O 0.0 {0.577961 0.0283792 0.205014} O2044 3068 0.0 -1 8 {} O 0.0 {0.582151 0.0209992 0.10197} O2045 3069 0.0 -1 8 {} O 0.0 {0.572203 0.0204905 0.119887} O2046 3070 0.0 -1 8 {} O 0.0 {0.572937 0.994317 0.269455} O2047 3071 0.0 -1 8 {} O 0.0 {0.56317 0.998019 0.254902} O2048 3072 0.0 -1 14 {} Si 0.0 {0.567371 0.994191 0.307823} Si1025 3073 0.0 -1 14 {} Si 0.0 {0.577405 0.994728 0.559305} Si1026 3074 0.0 -1 14 {} Si 0.0 {0.567606 0.0184457 0.397196} Si1027 3075 0.0 -1 14 {} Si 0.0 {0.577551 0.0195404 0.478506} Si1028 3076 0.0 -1 8 {} O 0.0 {0.566858 0.980875 0.340862} O2049 3077 0.0 -1 8 {} O 0.0 {0.576982 0.00526992 0.507844} O2050 3078 0.0 -1 8 {} O 0.0 {0.567477 0.00464022 0.364762} O2051 3079 0.0 -1 8 {} O 0.0 {0.576458 0.0308055 0.525643} O2052 3080 0.0 -1 8 {} O 0.0 {0.583072 0.0218752 0.44803} O2053 3081 0.0 -1 8 {} O 0.0 {0.573387 0.020776 0.425477} O2054 3082 0.0 -1 8 {} O 0.0 {0.571624 0.995351 0.594613} O2055 3083 0.0 -1 8 {} O 0.0 {0.561937 0.99513 0.612562} O2056 3084 0.0 -1 14 {} Si 0.0 {0.567577 0.998061 0.649901} Si1029 3085 0.0 -1 14 {} Si 0.0 {0.577835 0.99498 0.883251} Si1030 3086 0.0 -1 14 {} Si 0.0 {0.567157 0.0239407 0.721552} Si1031 3087 0.0 -1 14 {} Si 0.0 {0.577035 0.0198203 0.805741} Si1032 3088 0.0 -1 8 {} O 0.0 {0.56844 0.9872 0.699632} O2057 3089 0.0 -1 8 {} O 0.0 {0.577983 0.00550387 0.826643} O2058 3090 0.0 -1 8 {} O 0.0 {0.567954 0.0125991 0.673092} O2059 3091 0.0 -1 8 {} O 0.0 {0.57788 0.029107 0.865327} O2060 3092 0.0 -1 8 {} O 0.0 {0.581867 0.023925 0.75826} O2061 3093 0.0 -1 8 {} O 0.0 {0.571613 0.0222208 0.772159} O2062 3094 0.0 -1 8 {} O 0.0 {0.572564 0.998041 0.919149} O2063 3095 0.0 -1 8 {} O 0.0 {0.562495 0.997739 0.949983} O2064 3096 0.0 -1 14 {} Si 0.0 {0.567216 0.0461902 0.985863} Si1033 3097 0.0 -1 14 {} Si 0.0 {0.577844 0.0417065 0.238481} Si1034 3098 0.0 -1 14 {} Si 0.0 {0.567843 0.0709903 0.0643227} Si1035 3099 0.0 -1 14 {} Si 0.0 {0.577127 0.0668605 0.161059} Si1036 3100 0.0 -1 8 {} O 0.0 {0.567393 0.0357998 0.0391391} O2065 3101 0.0 -1 8 {} O 0.0 {0.576566 0.0531084 0.188752} O2066 3102 0.0 -1 8 {} O 0.0 {0.568198 0.0602075 0.0135962} O2067 3103 0.0 -1 8 {} O 0.0 {0.576962 0.0769495 0.22146} O2068 3104 0.0 -1 8 {} O 0.0 {0.582622 0.0686902 0.125514} O2069 3105 0.0 -1 8 {} O 0.0 {0.572043 0.0698994 0.119497} O2070 3106 0.0 -1 8 {} O 0.0 {0.572849 0.0422414 0.286699} O2071 3107 0.0 -1 8 {} O 0.0 {0.562909 0.0460871 0.268279} O2072 3108 0.0 -1 14 {} Si 0.0 {0.567397 0.0433703 0.321064} Si1037 3109 0.0 -1 14 {} Si 0.0 {0.577214 0.0441092 0.563605} Si1038 3110 0.0 -1 14 {} Si 0.0 {0.568397 0.0692159 0.394689} Si1039 3111 0.0 -1 14 {} Si 0.0 {0.578022 0.0697485 0.490742} Si1040 3112 0.0 -1 8 {} O 0.0 {0.566366 0.03029 0.354074} O2073 3113 0.0 -1 8 {} O 0.0 {0.578672 0.0550095 0.516216} O2074 3114 0.0 -1 8 {} O 0.0 {0.568134 0.0552038 0.366553} O2075 3115 0.0 -1 8 {} O 0.0 {0.577544 0.0802413 0.546661} O2076 3116 0.0 -1 8 {} O 0.0 {0.583407 0.0738366 0.455925} O2077 3117 0.0 -1 8 {} O 0.0 {0.573866 0.0715662 0.436509} O2078 3118 0.0 -1 8 {} O 0.0 {0.57252 0.0489266 0.606322} O2079 3119 0.0 -1 8 {} O 0.0 {0.56235 0.0462357 0.599025} O2080 3120 0.0 -1 14 {} Si 0.0 {0.567233 0.0491098 0.645316} Si1041 3121 0.0 -1 14 {} Si 0.0 {0.576887 0.0424689 0.898386} Si1042 3122 0.0 -1 14 {} Si 0.0 {0.567834 0.0728199 0.730866} Si1043 3123 0.0 -1 14 {} Si 0.0 {0.57782 0.0671033 0.81104} Si1044 3124 0.0 -1 8 {} O 0.0 {0.567223 0.0381478 0.6957} O2081 3125 0.0 -1 8 {} O 0.0 {0.576442 0.0539602 0.848904} O2082 3126 0.0 -1 8 {} O 0.0 {0.56682 0.0636708 0.673135} O2083 3127 0.0 -1 8 {} O 0.0 {0.578143 0.0779886 0.86497} O2084 3128 0.0 -1 8 {} O 0.0 {0.583421 0.0661331 0.778853} O2085 3129 0.0 -1 8 {} O 0.0 {0.57364 0.071188 0.761927} O2086 3130 0.0 -1 8 {} O 0.0 {0.57175 0.0426747 0.939926} O2087 3131 0.0 -1 8 {} O 0.0 {0.561701 0.0462666 0.953772} O2088 3132 0.0 -1 14 {} Si 0.0 {0.58844 0.945794 0.974529} Si1045 3133 0.0 -1 14 {} Si 0.0 {0.599233 0.951859 0.226921} Si1046 3134 0.0 -1 14 {} Si 0.0 {0.58875 0.970715 0.054081} Si1047 3135 0.0 -1 14 {} Si 0.0 {0.598452 0.976581 0.145887} Si1048 3136 0.0 -1 8 {} O 0.0 {0.590039 0.932715 0.0123823} O2089 3137 0.0 -1 8 {} O 0.0 {0.599543 0.965969 0.198636} O2090 3138 0.0 -1 8 {} O 0.0 {0.588237 0.956438 0.0295807} O2091 3139 0.0 -1 8 {} O 0.0 {0.598078 0.990581 0.174819} O2092 3140 0.0 -1 8 {} O 0.0 {0.603677 0.975658 0.104354} O2093 3141 0.0 -1 8 {} O 0.0 {0.593594 0.971684 0.10213} O2094 3142 0.0 -1 8 {} O 0.0 {0.593238 0.949371 0.254314} O2095 3143 0.0 -1 8 {} O 0.0 {0.583454 0.948854 0.271519} O2096 3144 0.0 -1 14 {} Si 0.0 {0.588849 0.951169 0.302516} Si1049 3145 0.0 -1 14 {} Si 0.0 {0.598543 0.950143 0.558058} Si1050 3146 0.0 -1 14 {} Si 0.0 {0.588795 0.975367 0.389887} Si1051 3147 0.0 -1 14 {} Si 0.0 {0.597856 0.975521 0.483751} Si1052 3148 0.0 -1 8 {} O 0.0 {0.589764 0.939901 0.353106} O2097 3149 0.0 -1 8 {} O 0.0 {0.598915 0.96493 0.532839} O2098 3150 0.0 -1 8 {} O 0.0 {0.589312 0.965209 0.335165} O2099 3151 0.0 -1 8 {} O 0.0 {0.59744 0.990521 0.512459} O2100 3152 0.0 -1 8 {} O 0.0 {0.602738 0.975091 0.434574} O2101 3153 0.0 -1 8 {} O 0.0 {0.592719 0.972952 0.444727} O2102 3154 0.0 -1 8 {} O 0.0 {0.593022 0.946742 0.585556} O2103 3155 0.0 -1 8 {} O 0.0 {0.583015 0.949067 0.614489} O2104 3156 0.0 -1 14 {} Si 0.0 {0.588787 0.949254 0.639986} Si1053 3157 0.0 -1 14 {} Si 0.0 {0.597788 0.950134 0.886905} Si1054 3158 0.0 -1 14 {} Si 0.0 {0.588521 0.974288 0.72127} Si1055 3159 0.0 -1 14 {} Si 0.0 {0.598532 0.975455 0.811088} Si1056 3160 0.0 -1 8 {} O 0.0 {0.588701 0.935773 0.68168} O2105 3161 0.0 -1 8 {} O 0.0 {0.599029 0.964961 0.864903} O2106 3162 0.0 -1 8 {} O 0.0 {0.589821 0.961579 0.683031} O2107 3163 0.0 -1 8 {} O 0.0 {0.597832 0.989846 0.842006} O2108 3164 0.0 -1 8 {} O 0.0 {0.603704 0.974232 0.772384} O2109 3165 0.0 -1 8 {} O 0.0 {0.59345 0.973581 0.768151} O2110 3166 0.0 -1 8 {} O 0.0 {0.592102 0.94813 0.915834} O2111 3167 0.0 -1 8 {} O 0.0 {0.582372 0.944447 0.949463} O2112 3168 0.0 -1 14 {} Si 0.0 {0.587771 0.995972 0.971336} Si1057 3169 0.0 -1 14 {} Si 0.0 {0.598739 0.000841279 0.231133} Si1058 3170 0.0 -1 14 {} Si 0.0 {0.587436 0.0193962 0.0600253} Si1059 3171 0.0 -1 14 {} Si 0.0 {0.597093 0.0248524 0.15012} Si1060 3172 0.0 -1 8 {} O 0.0 {0.589136 0.982034 0.998919} O2113 3173 0.0 -1 8 {} O 0.0 {0.598682 0.0146129 0.201315} O2114 3174 0.0 -1 8 {} O 0.0 {0.587133 0.00542789 0.0290675} O2115 3175 0.0 -1 8 {} O 0.0 {0.596069 0.0389311 0.182431} O2116 3176 0.0 -1 8 {} O 0.0 {0.602083 0.0263912 0.105236} O2117 3177 0.0 -1 8 {} O 0.0 {0.592306 0.0211786 0.10688} O2118 3178 0.0 -1 8 {} O 0.0 {0.593229 0.99922 0.267023} O2119 3179 0.0 -1 8 {} O 0.0 {0.5829 0.993306 0.27008} O2120 3180 0.0 -1 14 {} Si 0.0 {0.587732 0.999844 0.305988} Si1061 3181 0.0 -1 14 {} Si 0.0 {0.597438 0.00172309 0.562271} Si1062 3182 0.0 -1 14 {} Si 0.0 {0.587623 0.0233201 0.393657} Si1063 3183 0.0 -1 14 {} Si 0.0 {0.597849 0.0244063 0.466714} Si1064 3184 0.0 -1 8 {} O 0.0 {0.589459 0.989954 0.360582} O2121 3185 0.0 -1 8 {} O 0.0 {0.598108 0.0156067 0.528531} O2122 3186 0.0 -1 8 {} O 0.0 {0.586458 0.0130117 0.339227} O2123 3187 0.0 -1 8 {} O 0.0 {0.597271 0.0392308 0.495111} O2124 3188 0.0 -1 8 {} O 0.0 {0.603229 0.0230726 0.434393} O2125 3189 0.0 -1 8 {} O 0.0 {0.593153 0.0200406 0.423053} O2126 3190 0.0 -1 8 {} O 0.0 {0.591643 0.00102312 0.590134} O2127 3191 0.0 -1 8 {} O 0.0 {0.581348 0.99848 0.613606} O2128 3192 0.0 -1 14 {} Si 0.0 {0.587085 0.999371 0.640663} Si1065 3193 0.0 -1 14 {} Si 0.0 {0.598304 0.000737661 0.897242} Si1066 3194 0.0 -1 14 {} Si 0.0 {0.58805 0.0228528 0.735641} Si1067 3195 0.0 -1 14 {} Si 0.0 {0.598067 0.0250341 0.815147} Si1068 3196 0.0 -1 8 {} O 0.0 {0.588464 0.986225 0.67569} O2129 3197 0.0 -1 8 {} O 0.0 {0.59846 0.0150279 0.871206} O2130 3198 0.0 -1 8 {} O 0.0 {0.58766 0.0105606 0.690522} O2131 3199 0.0 -1 8 {} O 0.0 {0.598302 0.0395281 0.837348} O2132 3200 0.0 -1 8 {} O 0.0 {0.602652 0.02222 0.765718} O2133 3201 0.0 -1 8 {} O 0.0 {0.592519 0.0217458 0.787233} O2134 3202 0.0 -1 8 {} O 0.0 {0.592847 0.999659 0.935016} O2135 3203 0.0 -1 8 {} O 0.0 {0.582661 0.995958 0.928275} O2136 3204 0.0 -1 14 {} Si 0.0 {0.587074 0.0448703 0.978308} Si1069 3205 0.0 -1 14 {} Si 0.0 {0.597354 0.0492124 0.234494} Si1070 3206 0.0 -1 14 {} Si 0.0 {0.586705 0.0679864 0.0695162} Si1071 3207 0.0 -1 14 {} Si 0.0 {0.596987 0.0725974 0.140833} Si1072 3208 0.0 -1 8 {} O 0.0 {0.587058 0.0308122 0.0086481} O2137 3209 0.0 -1 8 {} O 0.0 {0.596267 0.0618484 0.197207} O2138 3210 0.0 -1 8 {} O 0.0 {0.587133 0.0547109 0.034735} O2139 3211 0.0 -1 8 {} O 0.0 {0.597678 0.0866826 0.172453} O2140 3212 0.0 -1 8 {} O 0.0 {0.6022 0.0699444 0.101517} O2141 3213 0.0 -1 8 {} O 0.0 {0.592171 0.0733484 0.0950028} O2142 3214 0.0 -1 8 {} O 0.0 {0.592947 0.0486854 0.289123} O2143 3215 0.0 -1 8 {} O 0.0 {0.583221 0.0460351 0.271105} O2144 3216 0.0 -1 14 {} Si 0.0 {0.587477 0.0497114 0.321264} Si1073 3217 0.0 -1 14 {} Si 0.0 {0.597521 0.0486514 0.554104} Si1074 3218 0.0 -1 14 {} Si 0.0 {0.587759 0.0741693 0.40281} Si1075 3219 0.0 -1 14 {} Si 0.0 {0.598211 0.0745612 0.474818} Si1076 3220 0.0 -1 8 {} O 0.0 {0.587343 0.0379933 0.367046} O2145 3221 0.0 -1 8 {} O 0.0 {0.59786 0.063288 0.52635} O2146 3222 0.0 -1 8 {} O 0.0 {0.586417 0.0638233 0.348048} O2147 3223 0.0 -1 8 {} O 0.0 {0.597891 0.0871123 0.517285} O2148 3224 0.0 -1 8 {} O 0.0 {0.603394 0.0753004 0.433916} O2149 3225 0.0 -1 8 {} O 0.0 {0.593599 0.073169 0.427483} O2150 3226 0.0 -1 8 {} O 0.0 {0.591944 0.047107 0.586529} O2151 3227 0.0 -1 8 {} O 0.0 {0.582341 0.0421459 0.609005} O2152 3228 0.0 -1 14 {} Si 0.0 {0.587799 0.0456137 0.64108} Si1077 3229 0.0 -1 14 {} Si 0.0 {0.597323 0.0497574 0.892137} Si1078 3230 0.0 -1 14 {} Si 0.0 {0.587613 0.0694281 0.726336} Si1079 3231 0.0 -1 14 {} Si 0.0 {0.597472 0.073688 0.805683} Si1080 3232 0.0 -1 8 {} O 0.0 {0.588928 0.0355628 0.697588} O2153 3233 0.0 -1 8 {} O 0.0 {0.597063 0.0631379 0.859564} O2154 3234 0.0 -1 8 {} O 0.0 {0.587222 0.0595108 0.670465} O2155 3235 0.0 -1 8 {} O 0.0 {0.595898 0.0871079 0.834089} O2156 3236 0.0 -1 8 {} O 0.0 {0.603082 0.0758815 0.773524} O2157 3237 0.0 -1 8 {} O 0.0 {0.593308 0.0700978 0.754951} O2158 3238 0.0 -1 8 {} O 0.0 {0.591794 0.0481756 0.930804} O2159 3239 0.0 -1 8 {} O 0.0 {0.581737 0.0467373 0.937901} O2160 3240 0.0 -1 14 {} Si 0.0 {0.607787 0.948334 0.972539} Si1081 3241 0.0 -1 14 {} Si 0.0 {0.618017 0.951395 0.236638} Si1082 3242 0.0 -1 14 {} Si 0.0 {0.608845 0.971929 0.0608677} Si1083 3243 0.0 -1 14 {} Si 0.0 {0.618283 0.975166 0.146562} Si1084 3244 0.0 -1 8 {} O 0.0 {0.609513 0.935445 0.0044097} O2161 3245 0.0 -1 8 {} O 0.0 {0.618087 0.966128 0.208423} O2162 3246 0.0 -1 8 {} O 0.0 {0.60767 0.958072 0.0314903} O2163 3247 0.0 -1 8 {} O 0.0 {0.617421 0.98964 0.164744} O2164 3248 0.0 -1 8 {} O 0.0 {0.623588 0.975179 0.108033} O2165 3249 0.0 -1 8 {} O 0.0 {0.613833 0.969683 0.103267} O2166 3250 0.0 -1 8 {} O 0.0 {0.613543 0.948391 0.283962} O2167 3251 0.0 -1 8 {} O 0.0 {0.603464 0.948993 0.280917} O2168 3252 0.0 -1 14 {} Si 0.0 {0.6085 0.952166 0.325444} Si1085 3253 0.0 -1 14 {} Si 0.0 {0.618455 0.950657 0.553519} Si1086 3254 0.0 -1 14 {} Si 0.0 {0.60792 0.977905 0.397779} Si1087 3255 0.0 -1 14 {} Si 0.0 {0.618559 0.975829 0.472447} Si1088 3256 0.0 -1 8 {} O 0.0 {0.60749 0.942069 0.378909} O2169 3257 0.0 -1 8 {} O 0.0 {0.619284 0.961443 0.503788} O2170 3258 0.0 -1 8 {} O 0.0 {0.608509 0.967039 0.347518} O2171 3259 0.0 -1 8 {} O 0.0 {0.618876 0.987215 0.519642} O2172 3260 0.0 -1 8 {} O 0.0 {0.622648 0.978376 0.418957} O2173 3261 0.0 -1 8 {} O 0.0 {0.612627 0.975384 0.447161} O2174 3262 0.0 -1 8 {} O 0.0 {0.613169 0.952873 0.590392} O2175 3263 0.0 -1 8 {} O 0.0 {0.603417 0.947582 0.603051} O2176 3264 0.0 -1 14 {} Si 0.0 {0.608341 0.953288 0.637211} Si1089 3265 0.0 -1 14 {} Si 0.0 {0.617638 0.953028 0.88515} Si1090 3266 0.0 -1 14 {} Si 0.0 {0.608411 0.976366 0.725667} Si1091 3267 0.0 -1 14 {} Si 0.0 {0.618006 0.979181 0.807854} Si1092 3268 0.0 -1 8 {} O 0.0 {0.60921 0.942737 0.692022} O2177 3269 0.0 -1 8 {} O 0.0 {0.619178 0.966636 0.85275} O2178 3270 0.0 -1 8 {} O 0.0 {0.607579 0.966955 0.669533} O2179 3271 0.0 -1 8 {} O 0.0 {0.616524 0.991873 0.847034} O2180 3272 0.0 -1 8 {} O 0.0 {0.623066 0.981069 0.765656} O2181 3273 0.0 -1 8 {} O 0.0 {0.613885 0.974106 0.758102} O2182 3274 0.0 -1 8 {} O 0.0 {0.612138 0.952407 0.924092} O2183 3275 0.0 -1 8 {} O 0.0 {0.602168 0.946136 0.941241} O2184 3276 0.0 -1 14 {} Si 0.0 {0.607725 0.997859 0.983953} Si1093 3277 0.0 -1 14 {} Si 0.0 {0.618105 0.000755446 0.217346} Si1094 3278 0.0 -1 14 {} Si 0.0 {0.606747 0.0229174 0.0595834} Si1095 3279 0.0 -1 14 {} Si 0.0 {0.6171 0.0252345 0.138928} Si1096 3280 0.0 -1 8 {} O 0.0 {0.608952 0.984013 0.0159294} O2185 3281 0.0 -1 8 {} O 0.0 {0.617362 0.0150594 0.192609} O2186 3282 0.0 -1 8 {} O 0.0 {0.606024 0.00888147 0.0305005} O2187 3283 0.0 -1 8 {} O 0.0 {0.61691 0.0405576 0.165497} O2188 3284 0.0 -1 8 {} O 0.0 {0.622674 0.0266915 0.102447} O2189 3285 0.0 -1 8 {} O 0.0 {0.612459 0.0229397 0.0898166} O2190 3286 0.0 -1 8 {} O 0.0 {0.613919 0.999133 0.272041} O2191 3287 0.0 -1 8 {} O 0.0 {0.603737 0.997062 0.26862} O2192 3288 0.0 -1 14 {} Si 0.0 {0.608689 0.0011189 0.310489} Si1097 3289 0.0 -1 14 {} Si 0.0 {0.61735 0.999478 0.557597} Si1098 3290 0.0 -1 14 {} Si 0.0 {0.608075 0.0267107 0.38639} Si1099 3291 0.0 -1 14 {} Si 0.0 {0.618075 0.0253693 0.472821} Si1100 3292 0.0 -1 8 {} O 0.0 {0.609058 0.992048 0.371763} O2193 3293 0.0 -1 8 {} O 0.0 {0.616785 0.0124665 0.514848} O2194 3294 0.0 -1 8 {} O 0.0 {0.607797 0.0156915 0.333035} O2195 3295 0.0 -1 8 {} O 0.0 {0.61808 0.0373835 0.518773} O2196 3296 0.0 -1 8 {} O 0.0 {0.62365 0.0226189 0.443566} O2197 3297 0.0 -1 8 {} O 0.0 {0.613363 0.0255701 0.424239} O2198 3298 0.0 -1 8 {} O 0.0 {0.611942 0.998157 0.596779} O2199 3299 0.0 -1 8 {} O 0.0 {0.6019 0.998418 0.609794} O2200 3300 0.0 -1 14 {} Si 0.0 {0.60731 0.00113336 0.641811} Si1101 3301 0.0 -1 14 {} Si 0.0 {0.617941 0.00209594 0.898858} Si1102 3302 0.0 -1 14 {} Si 0.0 {0.607821 0.0252847 0.723563} Si1103 3303 0.0 -1 14 {} Si 0.0 {0.61789 0.0260409 0.807231} Si1104 3304 0.0 -1 8 {} O 0.0 {0.60797 0.990687 0.696919} O2201 3305 0.0 -1 8 {} O 0.0 {0.618177 0.016237 0.864605} O2202 3306 0.0 -1 8 {} O 0.0 {0.607407 0.0155276 0.668144} O2203 3307 0.0 -1 8 {} O 0.0 {0.617843 0.0405602 0.828741} O2204 3308 0.0 -1 8 {} O 0.0 {0.622928 0.0245642 0.76295} O2205 3309 0.0 -1 8 {} O 0.0 {0.612907 0.0231618 0.765415} O2206 3310 0.0 -1 8 {} O 0.0 {0.613353 0.001573 0.948638} O2207 3311 0.0 -1 8 {} O 0.0 {0.603156 0.995901 0.934635} O2208 3312 0.0 -1 14 {} Si 0.0 {0.607665 0.0467191 0.975627} Si1105 3313 0.0 -1 14 {} Si 0.0 {0.617562 0.0519393 0.216737} Si1106 3314 0.0 -1 14 {} Si 0.0 {0.607363 0.07103 0.0590276} Si1107 3315 0.0 -1 14 {} Si 0.0 {0.617652 0.0769764 0.130147} Si1108 3316 0.0 -1 8 {} O 0.0 {0.606664 0.0327944 0.0032625} O2209 3317 0.0 -1 8 {} O 0.0 {0.617481 0.0656094 0.185049} O2210 3318 0.0 -1 8 {} O 0.0 {0.609118 0.0578802 0.0276818} O2211 3319 0.0 -1 8 {} O 0.0 {0.618451 0.0912396 0.159893} O2212 3320 0.0 -1 8 {} O 0.0 {0.622147 0.0763383 0.0784148} O2213 3321 0.0 -1 8 {} O 0.0 {0.612095 0.0774527 0.0975485} O2214 3322 0.0 -1 8 {} O 0.0 {0.613083 0.0506977 0.26658} O2215 3323 0.0 -1 8 {} O 0.0 {0.603127 0.048028 0.261254} O2216 3324 0.0 -1 14 {} Si 0.0 {0.607826 0.0509435 0.306079} Si1109 3325 0.0 -1 14 {} Si 0.0 {0.617403 0.0502574 0.557909} Si1110 3326 0.0 -1 14 {} Si 0.0 {0.607847 0.0758387 0.382133} Si1111 3327 0.0 -1 14 {} Si 0.0 {0.617351 0.0734663 0.469066} Si1112 3328 0.0 -1 8 {} O 0.0 {0.607657 0.040772 0.360263} O2217 3329 0.0 -1 8 {} O 0.0 {0.61579 0.0612229 0.512186} O2218 3330 0.0 -1 8 {} O 0.0 {0.606822 0.0658468 0.328166} O2219 3331 0.0 -1 8 {} O 0.0 {0.617263 0.0861669 0.509199} O2220 3332 0.0 -1 8 {} O 0.0 {0.623093 0.0717273 0.44214} O2221 3333 0.0 -1 8 {} O 0.0 {0.613443 0.0753115 0.411024} O2222 3334 0.0 -1 8 {} O 0.0 {0.612485 0.0486959 0.605346} O2223 3335 0.0 -1 8 {} O 0.0 {0.602533 0.0462609 0.594651} O2224 3336 0.0 -1 14 {} Si 0.0 {0.607155 0.0496599 0.638464} Si1113 3337 0.0 -1 14 {} Si 0.0 {0.617324 0.0508502 0.886079} Si1114 3338 0.0 -1 14 {} Si 0.0 {0.607309 0.0757707 0.719104} Si1115 3339 0.0 -1 14 {} Si 0.0 {0.617306 0.0757574 0.800613} Si1116 3340 0.0 -1 8 {} O 0.0 {0.6073 0.0402418 0.696963} O2225 3341 0.0 -1 8 {} O 0.0 {0.616858 0.0649353 0.85537} O2226 3342 0.0 -1 8 {} O 0.0 {0.606823 0.0633358 0.672885} O2227 3343 0.0 -1 8 {} O 0.0 {0.616748 0.0891682 0.842121} O2228 3344 0.0 -1 8 {} O 0.0 {0.623174 0.0774069 0.773423} O2229 3345 0.0 -1 8 {} O 0.0 {0.612893 0.0746614 0.747501} O2230 3346 0.0 -1 8 {} O 0.0 {0.61211 0.0473351 0.926321} O2231 3347 0.0 -1 8 {} O 0.0 {0.602359 0.0498798 0.93926} O2232 3348 0.0 -1 14 {} Si 0.0 {0.627426 0.949386 0.967164} Si1117 3349 0.0 -1 14 {} Si 0.0 {0.639246 0.951665 0.225296} Si1118 3350 0.0 -1 14 {} Si 0.0 {0.628368 0.97238 0.0584049} Si1119 3351 0.0 -1 14 {} Si 0.0 {0.638752 0.975931 0.133892} Si1120 3352 0.0 -1 8 {} O 0.0 {0.62884 0.935204 0.998485} O2233 3353 0.0 -1 8 {} O 0.0 {0.640273 0.962466 0.171731} O2234 3354 0.0 -1 8 {} O 0.0 {0.627332 0.958817 0.0262292} O2235 3355 0.0 -1 8 {} O 0.0 {0.637578 0.986964 0.18524} O2236 3356 0.0 -1 8 {} O 0.0 {0.643945 0.979912 0.101156} O2237 3357 0.0 -1 8 {} O 0.0 {0.633767 0.972974 0.092705} O2238 3358 0.0 -1 8 {} O 0.0 {0.633322 0.952807 0.248943} O2239 3359 0.0 -1 8 {} O 0.0 {0.62364 0.948527 0.269716} O2240 3360 0.0 -1 14 {} Si 0.0 {0.629046 0.951296 0.303687} Si1121 3361 0.0 -1 14 {} Si 0.0 {0.637869 0.95633 0.552802} Si1122 3362 0.0 -1 14 {} Si 0.0 {0.627825 0.977018 0.382257} Si1123 3363 0.0 -1 14 {} Si 0.0 {0.638103 0.97904 0.460312} Si1124 3364 0.0 -1 8 {} O 0.0 {0.630701 0.937463 0.32978} O2241 3365 0.0 -1 8 {} O 0.0 {0.639152 0.968818 0.513244} O2242 3366 0.0 -1 8 {} O 0.0 {0.627854 0.963431 0.346169} O2243 3367 0.0 -1 8 {} O 0.0 {0.637328 0.993434 0.489048} O2244 3368 0.0 -1 8 {} O 0.0 {0.642656 0.979448 0.409839} O2245 3369 0.0 -1 8 {} O 0.0 {0.63278 0.97419 0.427788} O2246 3370 0.0 -1 8 {} O 0.0 {0.633248 0.958451 0.599888} O2247 3371 0.0 -1 8 {} O 0.0 {0.623229 0.95107 0.600589} O2248 3372 0.0 -1 14 {} Si 0.0 {0.628444 0.952805 0.641246} Si1125 3373 0.0 -1 14 {} Si 0.0 {0.637304 0.951479 0.884757} Si1126 3374 0.0 -1 14 {} Si 0.0 {0.62767 0.977844 0.717801} Si1127 3375 0.0 -1 14 {} Si 0.0 {0.637816 0.976803 0.800698} Si1128 3376 0.0 -1 8 {} O 0.0 {0.630168 0.938547 0.662848} O2249 3377 0.0 -1 8 {} O 0.0 {0.637936 0.96408 0.83949} O2250 3378 0.0 -1 8 {} O 0.0 {0.627119 0.962255 0.697785} O2251 3379 0.0 -1 8 {} O 0.0 {0.63658 0.98929 0.839655} O2252 3380 0.0 -1 8 {} O 0.0 {0.643623 0.977878 0.767989} O2253 3381 0.0 -1 8 {} O 0.0 {0.63351 0.976637 0.74581} O2254 3382 0.0 -1 8 {} O 0.0 {0.631647 0.950055 0.911995} O2255 3383 0.0 -1 8 {} O 0.0 {0.621864 0.947479 0.935407} O2256 3384 0.0 -1 14 {} Si 0.0 {0.628367 0.997963 0.978482} Si1129 3385 0.0 -1 14 {} Si 0.0 {0.638398 0.00140374 0.206388} Si1130 3386 0.0 -1 14 {} Si 0.0 {0.62736 0.0230027 0.0547178} Si1131 3387 0.0 -1 14 {} Si 0.0 {0.638107 0.0267304 0.123264} Si1132 3388 0.0 -1 8 {} O 0.0 {0.628749 0.983645 0.00562347} O2257 3389 0.0 -1 8 {} O 0.0 {0.638824 0.0129165 0.153992} O2258 3390 0.0 -1 8 {} O 0.0 {0.626999 0.0083853 0.0295528} O2259 3391 0.0 -1 8 {} O 0.0 {0.637931 0.0383914 0.174262} O2260 3392 0.0 -1 8 {} O 0.0 {0.642547 0.0308522 0.0757288} O2261 3393 0.0 -1 8 {} O 0.0 {0.632691 0.0275128 0.0909759} O2262 3394 0.0 -1 8 {} O 0.0 {0.633508 0.00467679 0.250401} O2263 3395 0.0 -1 8 {} O 0.0 {0.623775 0.998289 0.246551} O2264 3396 0.0 -1 14 {} Si 0.0 {0.628689 0.00123863 0.290647} Si1133 3397 0.0 -1 14 {} Si 0.0 {0.637897 0.00450439 0.54049} Si1134 3398 0.0 -1 14 {} Si 0.0 {0.627593 0.024695 0.386279} Si1135 3399 0.0 -1 14 {} Si 0.0 {0.638284 0.0291744 0.459969} Si1136 3400 0.0 -1 8 {} O 0.0 {0.629143 0.98929 0.337493} O2265 3401 0.0 -1 8 {} O 0.0 {0.637836 0.0187115 0.515056} O2266 3402 0.0 -1 8 {} O 0.0 {0.627178 0.0134269 0.336853} O2267 3403 0.0 -1 8 {} O 0.0 {0.637792 0.0429537 0.491011} O2268 3404 0.0 -1 8 {} O 0.0 {0.643798 0.0278212 0.424776} O2269 3405 0.0 -1 8 {} O 0.0 {0.633239 0.0267077 0.413856} O2270 3406 0.0 -1 8 {} O 0.0 {0.632834 0.00261071 0.581556} O2271 3407 0.0 -1 8 {} O 0.0 {0.622345 0.00305765 0.599719} O2272 3408 0.0 -1 14 {} Si 0.0 {0.628137 0.00117556 0.628341} Si1137 3409 0.0 -1 14 {} Si 0.0 {0.63752 0.00136398 0.882749} Si1138 3410 0.0 -1 14 {} Si 0.0 {0.627855 0.0251065 0.716553} Si1139 3411 0.0 -1 14 {} Si 0.0 {0.637252 0.0272676 0.804842} Si1140 3412 0.0 -1 8 {} O 0.0 {0.627981 0.987089 0.657235} O2273 3413 0.0 -1 8 {} O 0.0 {0.636169 0.0147008 0.846469} O2274 3414 0.0 -1 8 {} O 0.0 {0.628553 0.0114174 0.682908} O2275 3415 0.0 -1 8 {} O 0.0 {0.639338 0.0406481 0.840489} O2276 3416 0.0 -1 8 {} O 0.0 {0.64241 0.0245617 0.763047} O2277 3417 0.0 -1 8 {} O 0.0 {0.63253 0.0294023 0.760247} O2278 3418 0.0 -1 8 {} O 0.0 {0.633899 5.92714e-005 0.943863} O2279 3419 0.0 -1 8 {} O 0.0 {0.623395 0.997306 0.934977} O2280 3420 0.0 -1 14 {} Si 0.0 {0.627159 0.0463653 0.967366} Si1141 3421 0.0 -1 14 {} Si 0.0 {0.63714 0.0503166 0.222923} Si1142 3422 0.0 -1 14 {} Si 0.0 {0.62741 0.0706057 0.0499196} Si1143 3423 0.0 -1 14 {} Si 0.0 {0.636559 0.0757875 0.148797} Si1144 3424 0.0 -1 8 {} O 0.0 {0.626204 0.0321785 0.994712} O2281 3425 0.0 -1 8 {} O 0.0 {0.635304 0.0640594 0.1931} O2282 3426 0.0 -1 8 {} O 0.0 {0.627288 0.0555455 0.0285011} O2283 3427 0.0 -1 8 {} O 0.0 {0.636836 0.0898238 0.18321} O2284 3428 0.0 -1 8 {} O 0.0 {0.642693 0.0756221 0.122526} O2285 3429 0.0 -1 8 {} O 0.0 {0.632308 0.0751117 0.0953821} O2286 3430 0.0 -1 8 {} O 0.0 {0.632779 0.046701 0.272666} O2287 3431 0.0 -1 8 {} O 0.0 {0.623054 0.0512202 0.251713} O2288 3432 0.0 -1 14 {} Si 0.0 {0.627263 0.048974 0.304193} Si1145 3433 0.0 -1 14 {} Si 0.0 {0.637567 0.0528775 0.546727} Si1146 3434 0.0 -1 14 {} Si 0.0 {0.627344 0.0750827 0.387708} Si1147 3435 0.0 -1 14 {} Si 0.0 {0.637545 0.078348 0.466016} Si1148 3436 0.0 -1 8 {} O 0.0 {0.62558 0.0379702 0.352098} O2289 3437 0.0 -1 8 {} O 0.0 {0.636958 0.0671341 0.516288} O2290 3438 0.0 -1 8 {} O 0.0 {0.627572 0.0635186 0.338591} O2291 3439 0.0 -1 8 {} O 0.0 {0.638133 0.0916909 0.502671} O2292 3440 0.0 -1 8 {} O 0.0 {0.642692 0.0768073 0.423823} O2293 3441 0.0 -1 8 {} O 0.0 {0.632782 0.0804714 0.419901} O2294 3442 0.0 -1 8 {} O 0.0 {0.632575 0.0496188 0.589555} O2295 3443 0.0 -1 8 {} O 0.0 {0.622892 0.054405 0.591515} O2296 3444 0.0 -1 14 {} Si 0.0 {0.62739 0.0505874 0.635733} Si1149 3445 0.0 -1 14 {} Si 0.0 {0.637706 0.0518213 0.8881} Si1150 3446 0.0 -1 14 {} Si 0.0 {0.627797 0.0732329 0.728796} Si1151 3447 0.0 -1 14 {} Si 0.0 {0.638223 0.077742 0.806301} Si1152 3448 0.0 -1 8 {} O 0.0 {0.626694 0.036131 0.664903} O2297 3449 0.0 -1 8 {} O 0.0 {0.637463 0.065938 0.852528} O2298 3450 0.0 -1 8 {} O 0.0 {0.628609 0.0596106 0.691223} O2299 3451 0.0 -1 8 {} O 0.0 {0.637937 0.089165 0.85154} O2300 3452 0.0 -1 8 {} O 0.0 {0.643402 0.0774849 0.762843} O2301 3453 0.0 -1 8 {} O 0.0 {0.633226 0.0775197 0.762067} O2302 3454 0.0 -1 8 {} O 0.0 {0.632298 0.0472309 0.922129} O2303 3455 0.0 -1 8 {} O 0.0 {0.622238 0.0514912 0.931951} O2304 3456 0.0 -1 14 {} Si 0.0 {0.647492 0.952175 0.968396} Si1153 3457 0.0 -1 14 {} Si 0.0 {0.659187 0.958357 0.218454} Si1154 3458 0.0 -1 14 {} Si 0.0 {0.648221 0.976901 0.047586} Si1155 3459 0.0 -1 14 {} Si 0.0 {0.658664 0.98053 0.1241} Si1156 3460 0.0 -1 8 {} O 0.0 {0.647934 0.938154 0.00232598} O2305 3461 0.0 -1 8 {} O 0.0 {0.657935 0.97145 0.184732} O2306 3462 0.0 -1 8 {} O 0.0 {0.646867 0.96286 0.0222591} O2307 3463 0.0 -1 8 {} O 0.0 {0.65862 0.995444 0.151939} O2308 3464 0.0 -1 8 {} O 0.0 {0.664204 0.978347 0.0904551} O2309 3465 0.0 -1 8 {} O 0.0 {0.653805 0.976525 0.079002} O2310 3466 0.0 -1 8 {} O 0.0 {0.654281 0.954017 0.259427} O2311 3467 0.0 -1 8 {} O 0.0 {0.643635 0.94999 0.279632} O2312 3468 0.0 -1 14 {} Si 0.0 {0.649375 0.952757 0.307783} Si1157 3469 0.0 -1 14 {} Si 0.0 {0.658496 0.95235 0.552573} Si1158 3470 0.0 -1 14 {} Si 0.0 {0.648574 0.978814 0.381773} Si1159 3471 0.0 -1 14 {} Si 0.0 {0.658843 0.976868 0.470049} Si1160 3472 0.0 -1 8 {} O 0.0 {0.650472 0.939819 0.351024} O2313 3473 0.0 -1 8 {} O 0.0 {0.658891 0.962956 0.499136} O2314 3474 0.0 -1 8 {} O 0.0 {0.649536 0.9642 0.357302} O2315 3475 0.0 -1 8 {} O 0.0 {0.659077 0.986986 0.525739} O2316 3476 0.0 -1 8 {} O 0.0 {0.663506 0.97767 0.420642} O2317 3477 0.0 -1 8 {} O 0.0 {0.653459 0.980906 0.42997} O2318 3478 0.0 -1 8 {} O 0.0 {0.653417 0.953991 0.595282} O2319 3479 0.0 -1 8 {} O 0.0 {0.642931 0.950536 0.586125} O2320 3480 0.0 -1 14 {} Si 0.0 {0.648295 0.950937 0.630506} Si1161 3481 0.0 -1 14 {} Si 0.0 {0.658381 0.956311 0.894872} Si1162 3482 0.0 -1 14 {} Si 0.0 {0.648285 0.976317 0.714376} Si1163 3483 0.0 -1 14 {} Si 0.0 {0.658128 0.978891 0.795608} Si1164 3484 0.0 -1 8 {} O 0.0 {0.648252 0.936876 0.662066} O2321 3485 0.0 -1 8 {} O 0.0 {0.657855 0.965683 0.835376} O2322 3486 0.0 -1 8 {} O 0.0 {0.647338 0.961497 0.684974} O2323 3487 0.0 -1 8 {} O 0.0 {0.656985 0.989907 0.846039} O2324 3488 0.0 -1 8 {} O 0.0 {0.664011 0.979898 0.771282} O2325 3489 0.0 -1 8 {} O 0.0 {0.653991 0.977455 0.741252} O2326 3490 0.0 -1 8 {} O 0.0 {0.652658 0.953562 0.92424} O2327 3491 0.0 -1 8 {} O 0.0 {0.641966 0.949846 0.934581} O2328 3492 0.0 -1 14 {} Si 0.0 {0.648005 0.00219518 0.96199} Si1165 3493 0.0 -1 14 {} Si 0.0 {0.658887 0.00551051 0.206299} Si1166 3494 0.0 -1 14 {} Si 0.0 {0.64788 0.0274366 0.0423081} Si1167 3495 0.0 -1 14 {} Si 0.0 {0.65745 0.0298575 0.12601} Si1168 3496 0.0 -1 8 {} O 0.0 {0.648248 0.988352 0.996494} O2329 3497 0.0 -1 8 {} O 0.0 {0.659221 0.0199024 0.179609} O2330 3498 0.0 -1 8 {} O 0.0 {0.646423 0.0138641 0.00542286} O2331 3499 0.0 -1 8 {} O 0.0 {0.656277 0.0436822 0.157704} O2332 3500 0.0 -1 8 {} O 0.0 {0.662586 0.0321061 0.0793051} O2333 3501 0.0 -1 8 {} O 0.0 {0.652521 0.0245693 0.0884017} O2334 3502 0.0 -1 8 {} O 0.0 {0.654083 0.0045705 0.251993} O2335 3503 0.0 -1 8 {} O 0.0 {0.643917 0.000955479 0.244828} O2336 3504 0.0 -1 14 {} Si 0.0 {0.64885 0.00218613 0.292105} Si1169 3505 0.0 -1 14 {} Si 0.0 {0.658451 0.00196088 0.547432} Si1170 3506 0.0 -1 14 {} Si 0.0 {0.64857 0.0262999 0.377538} Si1171 3507 0.0 -1 14 {} Si 0.0 {0.658508 0.0260813 0.464806} Si1172 3508 0.0 -1 8 {} O 0.0 {0.649176 0.98832 0.324663} O2337 3509 0.0 -1 8 {} O 0.0 {0.658583 0.0116234 0.489698} O2338 3510 0.0 -1 8 {} O 0.0 {0.64801 0.0122738 0.34971} O2339 3511 0.0 -1 8 {} O 0.0 {0.657572 0.0357165 0.521132} O2340 3512 0.0 -1 8 {} O 0.0 {0.663624 0.0276384 0.425144} O2341 3513 0.0 -1 8 {} O 0.0 {0.653652 0.0280211 0.417116} O2342 3514 0.0 -1 8 {} O 0.0 {0.653206 0.00249388 0.58778} O2343 3515 0.0 -1 8 {} O 0.0 {0.643161 0.00189491 0.575874} O2344 3516 0.0 -1 14 {} Si 0.0 {0.647848 0.000397742 0.628933} Si1173 3517 0.0 -1 14 {} Si 0.0 {0.658009 0.00419604 0.880723} Si1174 3518 0.0 -1 14 {} Si 0.0 {0.647149 0.0244481 0.713289} Si1175 3519 0.0 -1 14 {} Si 0.0 {0.65763 0.0289007 0.788866} Si1176 3520 0.0 -1 8 {} O 0.0 {0.647792 0.986359 0.660511} O2345 3521 0.0 -1 8 {} O 0.0 {0.65764 0.0159776 0.831352} O2346 3522 0.0 -1 8 {} O 0.0 {0.647599 0.0108015 0.68306} O2347 3523 0.0 -1 8 {} O 0.0 {0.657521 0.0409453 0.837403} O2348 3524 0.0 -1 8 {} O 0.0 {0.662832 0.0295643 0.749035} O2349 3525 0.0 -1 8 {} O 0.0 {0.652536 0.0284969 0.744429} O2350 3526 0.0 -1 8 {} O 0.0 {0.653543 0.00640492 0.92982} O2351 3527 0.0 -1 8 {} O 0.0 {0.64344 0.000431787 0.910852} O2352 3528 0.0 -1 14 {} Si 0.0 {0.647641 0.0531183 0.966831} Si1177 3529 0.0 -1 14 {} Si 0.0 {0.657449 0.0547767 0.20962} Si1178 3530 0.0 -1 14 {} Si 0.0 {0.646483 0.0762408 0.0657947} Si1179 3531 0.0 -1 14 {} Si 0.0 {0.657136 0.0804182 0.130439} Si1180 3532 0.0 -1 8 {} O 0.0 {0.648916 0.0383571 0.987486} O2353 3533 0.0 -1 8 {} O 0.0 {0.658185 0.0669479 0.164196} O2354 3534 0.0 -1 8 {} O 0.0 {0.647787 0.0633521 0.0261477} O2355 3535 0.0 -1 8 {} O 0.0 {0.657319 0.0921778 0.182329} O2356 3536 0.0 -1 8 {} O 0.0 {0.661397 0.0833695 0.0762956} O2357 3537 0.0 -1 8 {} O 0.0 {0.651725 0.0825202 0.094485} O2358 3538 0.0 -1 8 {} O 0.0 {0.652323 0.0553471 0.250118} O2359 3539 0.0 -1 8 {} O 0.0 {0.642452 0.0537015 0.260841} O2360 3540 0.0 -1 14 {} Si 0.0 {0.647868 0.0517793 0.296293} Si1181 3541 0.0 -1 14 {} Si 0.0 {0.657596 0.0498127 0.549252} Si1182 3542 0.0 -1 14 {} Si 0.0 {0.64782 0.0753171 0.383294} Si1183 3543 0.0 -1 14 {} Si 0.0 {0.657195 0.0748584 0.472145} Si1184 3544 0.0 -1 8 {} O 0.0 {0.647696 0.0371621 0.324746} O2361 3545 0.0 -1 8 {} O 0.0 {0.656522 0.0606361 0.499984} O2362 3546 0.0 -1 8 {} O 0.0 {0.64787 0.06084 0.355473} O2363 3547 0.0 -1 8 {} O 0.0 {0.657088 0.0847217 0.52989} O2364 3548 0.0 -1 8 {} O 0.0 {0.663024 0.0751862 0.443133} O2365 3549 0.0 -1 8 {} O 0.0 {0.653165 0.0778266 0.420027} O2366 3550 0.0 -1 8 {} O 0.0 {0.652952 0.0510405 0.599413} O2367 3551 0.0 -1 8 {} O 0.0 {0.642593 0.0522781 0.587424} O2368 3552 0.0 -1 14 {} Si 0.0 {0.647437 0.0495572 0.635149} Si1185 3553 0.0 -1 14 {} Si 0.0 {0.657167 0.0533238 0.881721} Si1186 3554 0.0 -1 14 {} Si 0.0 {0.647931 0.0755172 0.712676} Si1187 3555 0.0 -1 14 {} Si 0.0 {0.658081 0.0776363 0.793736} Si1188 3556 0.0 -1 8 {} O 0.0 {0.646075 0.0357781 0.664747} O2369 3557 0.0 -1 8 {} O 0.0 {0.658243 0.0658248 0.840702} O2370 3558 0.0 -1 8 {} O 0.0 {0.646873 0.0617428 0.680037} O2371 3559 0.0 -1 8 {} O 0.0 {0.656334 0.0898874 0.835776} O2372 3560 0.0 -1 8 {} O 0.0 {0.663865 0.0809671 0.765514} O2373 3561 0.0 -1 8 {} O 0.0 {0.653717 0.0763886 0.740486} O2374 3562 0.0 -1 8 {} O 0.0 {0.651653 0.0555736 0.911279} O2375 3563 0.0 -1 8 {} O 0.0 {0.6418 0.0545787 0.941585} O2376 3564 0.0 -1 14 {} Si 0.0 {0.668493 0.958621 0.973791} Si1189 3565 0.0 -1 14 {} Si 0.0 {0.678757 0.957643 0.209294} Si1190 3566 0.0 -1 14 {} Si 0.0 {0.669011 0.984088 0.0540607} Si1191 3567 0.0 -1 14 {} Si 0.0 {0.679044 0.983355 0.137526} Si1192 3568 0.0 -1 8 {} O 0.0 {0.668148 0.947379 0.0286293} O2377 3569 0.0 -1 8 {} O 0.0 {0.677442 0.971361 0.179759} O2378 3570 0.0 -1 8 {} O 0.0 {0.670275 0.972114 0.00766671} O2379 3571 0.0 -1 8 {} O 0.0 {0.680079 0.995749 0.179902} O2380 3572 0.0 -1 8 {} O 0.0 {0.684129 0.980524 0.099246} O2381 3573 0.0 -1 8 {} O 0.0 {0.674593 0.986519 0.0911056} O2382 3574 0.0 -1 8 {} O 0.0 {0.674309 0.955089 0.260878} O2383 3575 0.0 -1 8 {} O 0.0 {0.664007 0.958222 0.261779} O2384 3576 0.0 -1 14 {} Si 0.0 {0.669161 0.958141 0.30252} Si1193 3577 0.0 -1 14 {} Si 0.0 {0.678326 0.958224 0.548902} Si1194 3578 0.0 -1 14 {} Si 0.0 {0.668887 0.982227 0.387344} Si1195 3579 0.0 -1 14 {} Si 0.0 {0.679635 0.982713 0.467268} Si1196 3580 0.0 -1 8 {} O 0.0 {0.669183 0.945811 0.350275} O2385 3581 0.0 -1 8 {} O 0.0 {0.679882 0.971583 0.515608} O2386 3582 0.0 -1 8 {} O 0.0 {0.670334 0.971731 0.336658} O2387 3583 0.0 -1 8 {} O 0.0 {0.680285 0.99609 0.504405} O2388 3584 0.0 -1 8 {} O 0.0 {0.684049 0.980472 0.413554} O2389 3585 0.0 -1 8 {} O 0.0 {0.673963 0.982541 0.434446} O2390 3586 0.0 -1 8 {} O 0.0 {0.672865 0.958398 0.58265} O2391 3587 0.0 -1 8 {} O 0.0 {0.663366 0.951183 0.597581} O2392 3588 0.0 -1 14 {} Si 0.0 {0.66859 0.956478 0.633967} Si1197 3589 0.0 -1 14 {} Si 0.0 {0.678179 0.957468 0.879144} Si1198 3590 0.0 -1 14 {} Si 0.0 {0.668494 0.981645 0.720336} Si1199 3591 0.0 -1 14 {} Si 0.0 {0.678421 0.983531 0.801674} Si1200 3592 0.0 -1 8 {} O 0.0 {0.670357 0.945145 0.679786} O2393 3593 0.0 -1 8 {} O 0.0 {0.678657 0.971617 0.847847} O2394 3594 0.0 -1 8 {} O 0.0 {0.667811 0.96827 0.683378} O2395 3595 0.0 -1 8 {} O 0.0 {0.676777 0.996176 0.836428} O2396 3596 0.0 -1 8 {} O 0.0 {0.683979 0.985207 0.766772} O2397 3597 0.0 -1 8 {} O 0.0 {0.67413 0.981175 0.747738} O2398 3598 0.0 -1 8 {} O 0.0 {0.673373 0.954713 0.928183} O2399 3599 0.0 -1 8 {} O 0.0 {0.663052 0.959458 0.94257} O2400 3600 0.0 -1 14 {} Si 0.0 {0.667793 0.00736919 0.96073} Si1201 3601 0.0 -1 14 {} Si 0.0 {0.6791 0.00823546 0.225689} Si1202 3602 0.0 -1 14 {} Si 0.0 {0.668195 0.0313288 0.0464495} Si1203 3603 0.0 -1 14 {} Si 0.0 {0.677902 0.0307235 0.134252} Si1204 3604 0.0 -1 8 {} O 0.0 {0.667597 0.997422 0.0191661} O2401 3605 0.0 -1 8 {} O 0.0 {0.678573 0.0216302 0.193758} O2402 3606 0.0 -1 8 {} O 0.0 {0.667575 0.0216212 0.990239} O2403 3607 0.0 -1 8 {} O 0.0 {0.677034 0.0452182 0.160175} O2404 3608 0.0 -1 8 {} O 0.0 {0.682518 0.030258 0.0871596} O2405 3609 0.0 -1 8 {} O 0.0 {0.672451 0.0276733 0.0981573} O2406 3610 0.0 -1 8 {} O 0.0 {0.674091 0.00401591 0.267419} O2407 3611 0.0 -1 8 {} O 0.0 {0.664022 0.00240341 0.246077} O2408 3612 0.0 -1 14 {} Si 0.0 {0.668495 0.00525721 0.297413} Si1205 3613 0.0 -1 14 {} Si 0.0 {0.678522 0.00691672 0.552697} Si1206 3614 0.0 -1 14 {} Si 0.0 {0.667973 0.0301013 0.374836} Si1207 3615 0.0 -1 14 {} Si 0.0 {0.677695 0.0315187 0.462848} Si1208 3616 0.0 -1 8 {} O 0.0 {0.668055 0.995561 0.355624} O2409 3617 0.0 -1 8 {} O 0.0 {0.676951 0.0189133 0.506755} O2410 3618 0.0 -1 8 {} O 0.0 {0.667721 0.0197946 0.316694} O2411 3619 0.0 -1 8 {} O 0.0 {0.67629 0.0445366 0.501573} O2412 3620 0.0 -1 8 {} O 0.0 {0.683356 0.0314171 0.438607} O2413 3621 0.0 -1 8 {} O 0.0 {0.673557 0.0295863 0.407232} O2414 3622 0.0 -1 8 {} O 0.0 {0.673938 0.00334791 0.597987} O2415 3623 0.0 -1 8 {} O 0.0 {0.663434 0.00443931 0.591259} O2416 3624 0.0 -1 14 {} Si 0.0 {0.668685 0.00583499 0.633424} Si1209 3625 0.0 -1 14 {} Si 0.0 {0.678222 0.00758789 0.885508} Si1210 3626 0.0 -1 14 {} Si 0.0 {0.668097 0.0312336 0.712044} Si1211 3627 0.0 -1 14 {} Si 0.0 {0.678355 0.0320376 0.793889} Si1212 3628 0.0 -1 8 {} O 0.0 {0.667539 0.994372 0.679935} O2417 3629 0.0 -1 8 {} O 0.0 {0.678307 0.0222521 0.852374} O2418 3630 0.0 -1 8 {} O 0.0 {0.66843 0.0202057 0.660431} O2419 3631 0.0 -1 8 {} O 0.0 {0.67806 0.0466215 0.819467} O2420 3632 0.0 -1 8 {} O 0.0 {0.683918 0.0296009 0.76056} O2421 3633 0.0 -1 8 {} O 0.0 {0.673184 0.0287856 0.75443} O2422 3634 0.0 -1 8 {} O 0.0 {0.67365 0.0062756 0.933556} O2423 3635 0.0 -1 8 {} O 0.0 {0.66371 0.00403351 0.90818} O2424 3636 0.0 -1 14 {} Si 0.0 {0.667008 0.0551905 0.963788} Si1213 3637 0.0 -1 14 {} Si 0.0 {0.67775 0.0555419 0.212611} Si1214 3638 0.0 -1 14 {} Si 0.0 {0.666668 0.080309 0.0417686} Si1215 3639 0.0 -1 14 {} Si 0.0 {0.676764 0.0793929 0.126691} Si1216 3640 0.0 -1 8 {} O 0.0 {0.668982 0.0453202 0.0168835} O2425 3641 0.0 -1 8 {} O 0.0 {0.677201 0.0699107 0.184545} O2426 3642 0.0 -1 8 {} O 0.0 {0.667416 0.0701696 0.985948} O2427 3643 0.0 -1 8 {} O 0.0 {0.6766 0.0940927 0.155847} O2428 3644 0.0 -1 8 {} O 0.0 {0.682077 0.0787859 0.0869148} O2429 3645 0.0 -1 8 {} O 0.0 {0.671335 0.0775083 0.0908995} O2430 3646 0.0 -1 8 {} O 0.0 {0.672677 0.0540602 0.259989} O2431 3647 0.0 -1 8 {} O 0.0 {0.662579 0.0514246 0.248156} O2432 3648 0.0 -1 14 {} Si 0.0 {0.667045 0.0553731 0.294461} Si1217 3649 0.0 -1 14 {} Si 0.0 {0.677481 0.0569902 0.53942} Si1218 3650 0.0 -1 14 {} Si 0.0 {0.66644 0.0794628 0.384258} Si1219 3651 0.0 -1 14 {} Si 0.0 {0.677011 0.081728 0.453071} Si1220 3652 0.0 -1 8 {} O 0.0 {0.667472 0.0448274 0.346303} O2433 3653 0.0 -1 8 {} O 0.0 {0.67684 0.0685118 0.48939} O2434 3654 0.0 -1 8 {} O 0.0 {0.666619 0.0689859 0.32712} O2435 3655 0.0 -1 8 {} O 0.0 {0.676533 0.0925142 0.504766} O2436 3656 0.0 -1 8 {} O 0.0 {0.682317 0.0842038 0.419188} O2437 3657 0.0 -1 8 {} O 0.0 {0.672169 0.0831587 0.40577} O2438 3658 0.0 -1 8 {} O 0.0 {0.673256 0.0588047 0.592665} O2439 3659 0.0 -1 8 {} O 0.0 {0.663046 0.0520392 0.588881} O2440 3660 0.0 -1 14 {} Si 0.0 {0.66796 0.0557624 0.631288} Si1221 3661 0.0 -1 14 {} Si 0.0 {0.676858 0.0562295 0.876031} Si1222 3662 0.0 -1 14 {} Si 0.0 {0.668056 0.0806341 0.709961} Si1223 3663 0.0 -1 14 {} Si 0.0 {0.678002 0.0819625 0.795305} Si1224 3664 0.0 -1 8 {} O 0.0 {0.668553 0.0454333 0.683258} O2441 3665 0.0 -1 8 {} O 0.0 {0.677292 0.0709497 0.84968} O2442 3666 0.0 -1 8 {} O 0.0 {0.666521 0.0692702 0.664853} O2443 3667 0.0 -1 8 {} O 0.0 {0.676795 0.096506 0.817343} O2444 3668 0.0 -1 8 {} O 0.0 {0.683764 0.081502 0.761752} O2445 3669 0.0 -1 8 {} O 0.0 {0.673523 0.0782316 0.747761} O2446 3670 0.0 -1 8 {} O 0.0 {0.671224 0.0548323 0.907233} O2447 3671 0.0 -1 8 {} O 0.0 {0.661329 0.0521951 0.936901} O2448 3672 0.0 -1 14 {} Si 0.0 {0.688136 0.954231 0.959023} Si1225 3673 0.0 -1 14 {} Si 0.0 {0.699703 0.956138 0.207301} Si1226 3674 0.0 -1 14 {} Si 0.0 {0.688571 0.978884 0.0441397} Si1227 3675 0.0 -1 14 {} Si 0.0 {0.698506 0.982428 0.133232} Si1228 3676 0.0 -1 8 {} O 0.0 {0.687894 0.94062 0.99138} O2449 3677 0.0 -1 8 {} O 0.0 {0.699773 0.968421 0.163512} O2450 3678 0.0 -1 8 {} O 0.0 {0.687812 0.965224 0.0120106} O2451 3679 0.0 -1 8 {} O 0.0 {0.697235 0.992859 0.185791} O2452 3680 0.0 -1 8 {} O 0.0 {0.703771 0.986559 0.0955319} O2453 3681 0.0 -1 8 {} O 0.0 {0.693754 0.981607 0.084314} O2454 3682 0.0 -1 8 {} O 0.0 {0.694976 0.954515 0.256724} O2455 3683 0.0 -1 8 {} O 0.0 {0.684434 0.955884 0.236441} O2456 3684 0.0 -1 14 {} Si 0.0 {0.689371 0.955873 0.284357} Si1229 3685 0.0 -1 14 {} Si 0.0 {0.698811 0.955584 0.554996} Si1230 3686 0.0 -1 14 {} Si 0.0 {0.689544 0.980311 0.379309} Si1231 3687 0.0 -1 14 {} Si 0.0 {0.699582 0.97975 0.468864} Si1232 3688 0.0 -1 8 {} O 0.0 {0.688404 0.943806 0.332624} O2457 3689 0.0 -1 8 {} O 0.0 {0.700521 0.96746 0.51047} O2458 3690 0.0 -1 8 {} O 0.0 {0.689185 0.968845 0.328186} O2459 3691 0.0 -1 8 {} O 0.0 {0.699387 0.992677 0.51283} O2460 3692 0.0 -1 8 {} O 0.0 {0.704537 0.982075 0.425225} O2461 3693 0.0 -1 8 {} O 0.0 {0.694481 0.978381 0.425187} O2462 3694 0.0 -1 8 {} O 0.0 {0.693557 0.958123 0.596922} O2463 3695 0.0 -1 8 {} O 0.0 {0.683244 0.955148 0.596668} O2464 3696 0.0 -1 14 {} Si 0.0 {0.688148 0.96004 0.635768} Si1233 3697 0.0 -1 14 {} Si 0.0 {0.69816 0.959872 0.877985} Si1234 3698 0.0 -1 14 {} Si 0.0 {0.688171 0.985396 0.713862} Si1235 3699 0.0 -1 14 {} Si 0.0 {0.698702 0.984269 0.791459} Si1236 3700 0.0 -1 8 {} O 0.0 {0.688669 0.950306 0.696439} O2465 3701 0.0 -1 8 {} O 0.0 {0.697271 0.973663 0.843221} O2466 3702 0.0 -1 8 {} O 0.0 {0.686772 0.973669 0.66944} O2467 3703 0.0 -1 8 {} O 0.0 {0.698583 0.998124 0.826532} O2468 3704 0.0 -1 8 {} O 0.0 {0.704139 0.981279 0.762125} O2469 3705 0.0 -1 8 {} O 0.0 {0.694032 0.982463 0.737129} O2470 3706 0.0 -1 8 {} O 0.0 {0.693777 0.955062 0.929272} O2471 3707 0.0 -1 8 {} O 0.0 {0.68374 0.954015 0.907236} O2472 3708 0.0 -1 14 {} Si 0.0 {0.688553 0.00411942 0.967796} Si1237 3709 0.0 -1 14 {} Si 0.0 {0.6986 0.00651971 0.216116} Si1238 3710 0.0 -1 14 {} Si 0.0 {0.687864 0.0289258 0.0459969} Si1239 3711 0.0 -1 14 {} Si 0.0 {0.698043 0.0313614 0.130506} Si1240 3712 0.0 -1 8 {} O 0.0 {0.688173 0.989898 0.99479} O2473 3713 0.0 -1 8 {} O 0.0 {0.698562 0.0171771 0.162072} O2474 3714 0.0 -1 8 {} O 0.0 {0.688468 0.0149002 0.0176483} O2475 3715 0.0 -1 8 {} O 0.0 {0.696913 0.0425963 0.180676} O2476 3716 0.0 -1 8 {} O 0.0 {0.703345 0.0329721 0.0931098} O2477 3717 0.0 -1 8 {} O 0.0 {0.692939 0.0313801 0.0892611} O2478 3718 0.0 -1 8 {} O 0.0 {0.694298 0.0110366 0.265345} O2479 3719 0.0 -1 8 {} O 0.0 {0.684069 0.00806952 0.269896} O2480 3720 0.0 -1 14 {} Si 0.0 {0.689417 0.00747003 0.307114} Si1241 3721 0.0 -1 14 {} Si 0.0 {0.699245 0.00661116 0.539523} Si1242 3722 0.0 -1 14 {} Si 0.0 {0.688072 0.0321882 0.391957} Si1243 3723 0.0 -1 14 {} Si 0.0 {0.698593 0.032528 0.470369} Si1244 3724 0.0 -1 8 {} O 0.0 {0.690397 0.993435 0.340914} O2481 3725 0.0 -1 8 {} O 0.0 {0.698546 0.0173141 0.489191} O2482 3726 0.0 -1 8 {} O 0.0 {0.689214 0.0177747 0.364187} O2483 3727 0.0 -1 8 {} O 0.0 {0.699168 0.0418988 0.526441} O2484 3728 0.0 -1 8 {} O 0.0 {0.703517 0.0347276 0.42504} O2485 3729 0.0 -1 8 {} O 0.0 {0.693247 0.0358304 0.431245} O2486 3730 0.0 -1 8 {} O 0.0 {0.693812 0.0081404 0.577555} O2487 3731 0.0 -1 8 {} O 0.0 {0.683561 0.0121872 0.589429} O2488 3732 0.0 -1 14 {} Si 0.0 {0.688907 0.0107192 0.627339} Si1245 3733 0.0 -1 14 {} Si 0.0 {0.697902 0.00940417 0.87408} Si1246 3734 0.0 -1 14 {} Si 0.0 {0.688305 0.0345993 0.714526} Si1247 3735 0.0 -1 14 {} Si 0.0 {0.69843 0.0348678 0.800232} Si1248 3736 0.0 -1 8 {} O 0.0 {0.688566 0.999271 0.677492} O2489 3737 0.0 -1 8 {} O 0.0 {0.69653 0.0222188 0.833632} O2490 3738 0.0 -1 8 {} O 0.0 {0.689741 0.0234095 0.665323} O2491 3739 0.0 -1 8 {} O 0.0 {0.699475 0.0461671 0.849809} O2492 3740 0.0 -1 8 {} O 0.0 {0.703017 0.0342496 0.751779} O2493 3741 0.0 -1 8 {} O 0.0 {0.693237 0.0381423 0.759969} O2494 3742 0.0 -1 8 {} O 0.0 {0.693722 0.00554594 0.925718} O2495 3743 0.0 -1 8 {} O 0.0 {0.684022 0.00535499 0.91794} O2496 3744 0.0 -1 14 {} Si 0.0 {0.686812 0.0533229 0.96038} Si1249 3745 0.0 -1 14 {} Si 0.0 {0.697582 0.0565115 0.209625} Si1250 3746 0.0 -1 14 {} Si 0.0 {0.686895 0.0782478 0.0402209} Si1251 3747 0.0 -1 14 {} Si 0.0 {0.696608 0.08085 0.12667} Si1252 3748 0.0 -1 8 {} O 0.0 {0.687094 0.0393913 0.992446} O2497 3749 0.0 -1 8 {} O 0.0 {0.696451 0.0668214 0.158201} O2498 3750 0.0 -1 8 {} O 0.0 {0.687452 0.0637853 0.0175765} O2499 3751 0.0 -1 8 {} O 0.0 {0.694744 0.0908967 0.182027} O2500 3752 0.0 -1 8 {} O 0.0 {0.702334 0.0847759 0.100277} O2501 3753 0.0 -1 8 {} O 0.0 {0.692547 0.0818625 0.0677842} O2502 3754 0.0 -1 8 {} O 0.0 {0.693139 0.0581954 0.263408} O2503 3755 0.0 -1 8 {} O 0.0 {0.683226 0.0546506 0.246426} O2504 3756 0.0 -1 14 {} Si 0.0 {0.687915 0.055591 0.298345} Si1253 3757 0.0 -1 14 {} Si 0.0 {0.69867 0.0563511 0.555284} Si1254 3758 0.0 -1 14 {} Si 0.0 {0.687112 0.0804722 0.375345} Si1255 3759 0.0 -1 14 {} Si 0.0 {0.697599 0.0784026 0.454007} Si1256 3760 0.0 -1 8 {} O 0.0 {0.687393 0.0434349 0.343665} O2505 3761 0.0 -1 8 {} O 0.0 {0.698856 0.0665406 0.501472} O2506 3762 0.0 -1 8 {} O 0.0 {0.685798 0.0678453 0.337277} O2507 3763 0.0 -1 8 {} O 0.0 {0.69775 0.0909073 0.501336} O2508 3764 0.0 -1 8 {} O 0.0 {0.701736 0.0830701 0.401672} O2509 3765 0.0 -1 8 {} O 0.0 {0.692191 0.0778937 0.416212} O2510 3766 0.0 -1 8 {} O 0.0 {0.693048 0.0574678 0.587815} O2511 3767 0.0 -1 8 {} O 0.0 {0.682979 0.0575447 0.569216} O2512 3768 0.0 -1 14 {} Si 0.0 {0.687283 0.0591454 0.621084} Si1257 3769 0.0 -1 14 {} Si 0.0 {0.697282 0.0583878 0.885891} Si1258 3770 0.0 -1 14 {} Si 0.0 {0.688063 0.0831035 0.707869} Si1259 3771 0.0 -1 14 {} Si 0.0 {0.698311 0.0810081 0.786176} Si1260 3772 0.0 -1 8 {} O 0.0 {0.686797 0.0487576 0.67812} O2513 3773 0.0 -1 8 {} O 0.0 {0.696828 0.0712762 0.845669} O2514 3774 0.0 -1 8 {} O 0.0 {0.687039 0.0729568 0.651558} O2515 3775 0.0 -1 8 {} O 0.0 {0.697292 0.0949721 0.824624} O2516 3776 0.0 -1 8 {} O 0.0 {0.704281 0.0780765 0.76291} O2517 3777 0.0 -1 8 {} O 0.0 {0.693684 0.0807426 0.734776} O2518 3778 0.0 -1 8 {} O 0.0 {0.691814 0.0551729 0.920583} O2519 3779 0.0 -1 8 {} O 0.0 {0.681332 0.0559641 0.927815} O2520 3780 0.0 -1 14 {} Si 0.0 {0.708159 0.962939 0.957825} Si1261 3781 0.0 -1 14 {} Si 0.0 {0.718767 0.962319 0.204003} Si1262 3782 0.0 -1 14 {} Si 0.0 {0.708035 0.987773 0.0415728} Si1263 3783 0.0 -1 14 {} Si 0.0 {0.717968 0.98719 0.12061} Si1264 3784 0.0 -1 8 {} O 0.0 {0.706642 0.95284 0.0157347} O2521 3785 0.0 -1 8 {} O 0.0 {0.717089 0.974235 0.159382} O2522 3786 0.0 -1 8 {} O 0.0 {0.706816 0.976054 0.991721} O2523 3787 0.0 -1 8 {} O 0.0 {0.717185 0.000878735 0.156098} O2524 3788 0.0 -1 8 {} O 0.0 {0.723971 0.986925 0.095966} O2525 3789 0.0 -1 8 {} O 0.0 {0.713893 0.985399 0.0661123} O2526 3790 0.0 -1 8 {} O 0.0 {0.715317 0.959326 0.265741} O2527 3791 0.0 -1 8 {} O 0.0 {0.705272 0.955415 0.240616} O2528 3792 0.0 -1 14 {} Si 0.0 {0.709519 0.959645 0.295217} Si1265 3793 0.0 -1 14 {} Si 0.0 {0.719176 0.959957 0.555256} Si1266 3794 0.0 -1 14 {} Si 0.0 {0.709067 0.98451 0.374549} Si1267 3795 0.0 -1 14 {} Si 0.0 {0.71877 0.983622 0.459109} Si1268 3796 0.0 -1 8 {} O 0.0 {0.7093 0.947353 0.344475} O2529 3797 0.0 -1 8 {} O 0.0 {0.719621 0.97226 0.50791} O2530 3798 0.0 -1 8 {} O 0.0 {0.70833 0.97385 0.32058} O2531 3799 0.0 -1 8 {} O 0.0 {0.717118 0.996753 0.494674} O2532 3800 0.0 -1 8 {} O 0.0 {0.724233 0.986127 0.428907} O2533 3801 0.0 -1 8 {} O 0.0 {0.714498 0.980517 0.409854} O2534 3802 0.0 -1 8 {} O 0.0 {0.713544 0.957036 0.583844} O2535 3803 0.0 -1 8 {} O 0.0 {0.703238 0.952885 0.606302} O2536 3804 0.0 -1 14 {} Si 0.0 {0.709053 0.95631 0.634021} Si1269 3805 0.0 -1 14 {} Si 0.0 {0.718943 0.961583 0.886006} Si1270 3806 0.0 -1 14 {} Si 0.0 {0.708335 0.982908 0.708094} Si1271 3807 0.0 -1 14 {} Si 0.0 {0.718478 0.984824 0.788418} Si1272 3808 0.0 -1 8 {} O 0.0 {0.710163 0.94346 0.672473} O2537 3809 0.0 -1 8 {} O 0.0 {0.71847 0.972818 0.832773} O2538 3810 0.0 -1 8 {} O 0.0 {0.708896 0.969638 0.671621} O2539 3811 0.0 -1 8 {} O 0.0 {0.717684 0.996243 0.836426} O2540 3812 0.0 -1 8 {} O 0.0 {0.723834 0.987006 0.754502} O2541 3813 0.0 -1 8 {} O 0.0 {0.713856 0.985858 0.740966} O2542 3814 0.0 -1 8 {} O 0.0 {0.71389 0.960883 0.932975} O2543 3815 0.0 -1 8 {} O 0.0 {0.703957 0.958712 0.902948} O2544 3816 0.0 -1 14 {} Si 0.0 {0.707693 0.0133233 0.960568} Si1273 3817 0.0 -1 14 {} Si 0.0 {0.718796 0.0112414 0.20629} Si1274 3818 0.0 -1 14 {} Si 0.0 {0.708361 0.036333 0.052511} Si1275 3819 0.0 -1 14 {} Si 0.0 {0.719543 0.0361112 0.122816} Si1276 3820 0.0 -1 8 {} O 0.0 {0.707002 0.00118227 0.00473941} O2545 3821 0.0 -1 8 {} O 0.0 {0.720187 0.0243849 0.169176} O2546 3822 0.0 -1 8 {} O 0.0 {0.708599 0.0276564 0.991515} O2547 3823 0.0 -1 8 {} O 0.0 {0.719989 0.0499291 0.159918} O2548 3824 0.0 -1 8 {} O 0.0 {0.723215 0.0339837 0.0641752} O2549 3825 0.0 -1 8 {} O 0.0 {0.713566 0.0361085 0.0961584} O2550 3826 0.0 -1 8 {} O 0.0 {0.714386 0.0130208 0.256912} O2551 3827 0.0 -1 8 {} O 0.0 {0.704415 0.00658807 0.241468} O2552 3828 0.0 -1 14 {} Si 0.0 {0.709099 0.0101011 0.29096} Si1277 3829 0.0 -1 14 {} Si 0.0 {0.717813 0.00870332 0.546808} Si1278 3830 0.0 -1 14 {} Si 0.0 {0.707776 0.0345427 0.371317} Si1279 3831 0.0 -1 14 {} Si 0.0 {0.718085 0.0316759 0.450504} Si1280 3832 0.0 -1 8 {} O 0.0 {0.708867 0.998519 0.340622} O2553 3833 0.0 -1 8 {} O 0.0 {0.717675 0.0210106 0.504891} O2554 3834 0.0 -1 8 {} O 0.0 {0.706792 0.0225637 0.323171} O2555 3835 0.0 -1 8 {} O 0.0 {0.718194 0.0452951 0.487672} O2556 3836 0.0 -1 8 {} O 0.0 {0.723159 0.027566 0.413698} O2557 3837 0.0 -1 8 {} O 0.0 {0.713202 0.0308159 0.40701} O2558 3838 0.0 -1 8 {} O 0.0 {0.713544 0.0068093 0.597486} O2559 3839 0.0 -1 8 {} O 0.0 {0.703484 0.0108532 0.587865} O2560 3840 0.0 -1 14 {} Si 0.0 {0.708141 0.00834279 0.63612} Si1281 3841 0.0 -1 14 {} Si 0.0 {0.718125 0.00999027 0.880086} Si1282 3842 0.0 -1 14 {} Si 0.0 {0.708377 0.0329789 0.715184} Si1283 3843 0.0 -1 14 {} Si 0.0 {0.718476 0.0347459 0.798678} Si1284 3844 0.0 -1 8 {} O 0.0 {0.706373 0.994875 0.667063} O2561 3845 0.0 -1 8 {} O 0.0 {0.719424 0.0208963 0.833166} O2562 3846 0.0 -1 8 {} O 0.0 {0.708745 0.0190871 0.686488} O2563 3847 0.0 -1 8 {} O 0.0 {0.718732 0.0458966 0.850451} O2564 3848 0.0 -1 8 {} O 0.0 {0.72353 0.0373008 0.753536} O2565 3849 0.0 -1 8 {} O 0.0 {0.713213 0.0352479 0.763253} O2566 3850 0.0 -1 8 {} O 0.0 {0.71301 0.011485 0.922307} O2567 3851 0.0 -1 8 {} O 0.0 {0.70315 0.0125208 0.908724} O2568 3852 0.0 -1 14 {} Si 0.0 {0.707429 0.0624153 0.975117} Si1285 3853 0.0 -1 14 {} Si 0.0 {0.718653 0.0597232 0.214886} Si1286 3854 0.0 -1 14 {} Si 0.0 {0.70808 0.0859038 0.068328} Si1287 3855 0.0 -1 14 {} Si 0.0 {0.718581 0.0857174 0.141474} Si1288 3856 0.0 -1 8 {} O 0.0 {0.706935 0.0507777 0.0218375} O2569 3857 0.0 -1 8 {} O 0.0 {0.719008 0.0738772 0.188376} O2570 3858 0.0 -1 8 {} O 0.0 {0.708493 0.0757186 0.0112586} O2571 3859 0.0 -1 8 {} O 0.0 {0.719958 0.0985882 0.182012} O2572 3860 0.0 -1 8 {} O 0.0 {0.722921 0.0863736 0.0897891} O2573 3861 0.0 -1 8 {} O 0.0 {0.712546 0.0878057 0.116852} O2574 3862 0.0 -1 8 {} O 0.0 {0.712986 0.0565824 0.238282} O2575 3863 0.0 -1 8 {} O 0.0 {0.70321 0.059334 0.243886} O2576 3864 0.0 -1 14 {} Si 0.0 {0.708312 0.059252 0.286892} Si1289 3865 0.0 -1 14 {} Si 0.0 {0.719021 0.0568466 0.535773} Si1290 3866 0.0 -1 14 {} Si 0.0 {0.707322 0.0835538 0.371961} Si1291 3867 0.0 -1 14 {} Si 0.0 {0.718219 0.0810716 0.441666} Si1292 3868 0.0 -1 8 {} O 0.0 {0.70829 0.0486919 0.33871} O2577 3869 0.0 -1 8 {} O 0.0 {0.719387 0.0700681 0.493599} O2578 3870 0.0 -1 8 {} O 0.0 {0.708762 0.0727134 0.320558} O2579 3871 0.0 -1 8 {} O 0.0 {0.718585 0.0934014 0.486834} O2580 3872 0.0 -1 8 {} O 0.0 {0.72268 0.0831675 0.387742} O2581 3873 0.0 -1 8 {} O 0.0 {0.711844 0.0831244 0.421379} O2582 3874 0.0 -1 8 {} O 0.0 {0.71358 0.0574113 0.576575} O2583 3875 0.0 -1 8 {} O 0.0 {0.703366 0.059232 0.601724} O2584 3876 0.0 -1 14 {} Si 0.0 {0.7091 0.0568447 0.626859} Si1293 3877 0.0 -1 14 {} Si 0.0 {0.717767 0.05787 0.895452} Si1294 3878 0.0 -1 14 {} Si 0.0 {0.709229 0.0806721 0.721048} Si1295 3879 0.0 -1 14 {} Si 0.0 {0.719186 0.0825017 0.811834} Si1296 3880 0.0 -1 8 {} O 0.0 {0.709179 0.0431614 0.659704} O2585 3881 0.0 -1 8 {} O 0.0 {0.718157 0.0702143 0.854378} O2586 3882 0.0 -1 8 {} O 0.0 {0.710234 0.0677934 0.678181} O2587 3883 0.0 -1 8 {} O 0.0 {0.718696 0.0956075 0.853192} O2588 3884 0.0 -1 8 {} O 0.0 {0.724332 0.0830987 0.771359} O2589 3885 0.0 -1 8 {} O 0.0 {0.714587 0.0829813 0.760887} O2590 3886 0.0 -1 8 {} O 0.0 {0.712248 0.0587292 0.931319} O2591 3887 0.0 -1 8 {} O 0.0 {0.701932 0.0613645 0.937711} O2592 3888 0.0 -1 14 {} Si 0.0 {0.729178 0.959555 0.971156} Si1297 3889 0.0 -1 14 {} Si 0.0 {0.739546 0.962955 0.214919} Si1298 3890 0.0 -1 14 {} Si 0.0 {0.728861 0.98459 0.0508167} Si1299 3891 0.0 -1 14 {} Si 0.0 {0.740082 0.986407 0.124659} Si1300 3892 0.0 -1 8 {} O 0.0 {0.728987 0.944169 0.985233} O2593 3893 0.0 -1 8 {} O 0.0 {0.740516 0.975555 0.174465} O2594 3894 0.0 -1 8 {} O 0.0 {0.72861 0.969708 0.0274613} O2595 3895 0.0 -1 8 {} O 0.0 {0.740826 0.999929 0.158936} O2596 3896 0.0 -1 8 {} O 0.0 {0.744272 0.983482 0.0718478} O2597 3897 0.0 -1 8 {} O 0.0 {0.734303 0.986733 0.0898971} O2598 3898 0.0 -1 8 {} O 0.0 {0.734871 0.96283 0.261095} O2599 3899 0.0 -1 8 {} O 0.0 {0.724766 0.963222 0.225728} O2600 3900 0.0 -1 14 {} Si 0.0 {0.728874 0.960508 0.280873} Si1301 3901 0.0 -1 14 {} Si 0.0 {0.73925 0.96334 0.548775} Si1302 3902 0.0 -1 14 {} Si 0.0 {0.728479 0.983381 0.375152} Si1303 3903 0.0 -1 14 {} Si 0.0 {0.738758 0.986853 0.453097} Si1304 3904 0.0 -1 8 {} O 0.0 {0.72837 0.945853 0.311426} O2601 3905 0.0 -1 8 {} O 0.0 {0.738524 0.976758 0.514089} O2602 3906 0.0 -1 8 {} O 0.0 {0.727537 0.970305 0.337697} O2603 3907 0.0 -1 8 {} O 0.0 {0.737783 0.000191967 0.48445} O2604 3908 0.0 -1 8 {} O 0.0 {0.744206 0.985446 0.420326} O2605 3909 0.0 -1 8 {} O 0.0 {0.733916 0.983902 0.40709} O2606 3910 0.0 -1 8 {} O 0.0 {0.733909 0.959616 0.58705} O2607 3911 0.0 -1 8 {} O 0.0 {0.723973 0.957049 0.605632} O2608 3912 0.0 -1 14 {} Si 0.0 {0.729698 0.960289 0.638908} Si1305 3913 0.0 -1 14 {} Si 0.0 {0.739636 0.961429 0.895372} Si1306 3914 0.0 -1 14 {} Si 0.0 {0.729306 0.986655 0.716751} Si1307 3915 0.0 -1 14 {} Si 0.0 {0.739665 0.98561 0.800384} Si1308 3916 0.0 -1 8 {} O 0.0 {0.731404 0.949938 0.689756} O2609 3917 0.0 -1 8 {} O 0.0 {0.740252 0.974356 0.855587} O2610 3918 0.0 -1 8 {} O 0.0 {0.729458 0.973785 0.673833} O2611 3919 0.0 -1 8 {} O 0.0 {0.739767 0.999268 0.830668} O2612 3920 0.0 -1 8 {} O 0.0 {0.744042 0.98193 0.753079} O2613 3921 0.0 -1 8 {} O 0.0 {0.734199 0.984171 0.764127} O2614 3922 0.0 -1 8 {} O 0.0 {0.735047 0.961459 0.9438} O2615 3923 0.0 -1 8 {} O 0.0 {0.724519 0.961395 0.918569} O2616 3924 0.0 -1 14 {} Si 0.0 {0.728548 0.0074239 0.958554} Si1309 3925 0.0 -1 14 {} Si 0.0 {0.73942 0.0103767 0.212454} Si1310 3926 0.0 -1 14 {} Si 0.0 {0.729038 0.0335488 0.0364266} Si1311 3927 0.0 -1 14 {} Si 0.0 {0.738795 0.0347848 0.12612} Si1312 3928 0.0 -1 8 {} O 0.0 {0.728989 0.994283 0.994633} O2617 3929 0.0 -1 8 {} O 0.0 {0.739315 0.0245283 0.184715} O2618 3930 0.0 -1 8 {} O 0.0 {0.729782 0.0201018 0.00325447} O2619 3931 0.0 -1 8 {} O 0.0 {0.739699 0.0487979 0.155718} O2620 3932 0.0 -1 8 {} O 0.0 {0.743719 0.0315793 0.0836006} O2621 3933 0.0 -1 8 {} O 0.0 {0.733425 0.03333 0.0885295} O2622 3934 0.0 -1 8 {} O 0.0 {0.73397 0.00683634 0.240089} O2623 3935 0.0 -1 8 {} O 0.0 {0.723752 0.00709961 0.243682} O2624 3936 0.0 -1 14 {} Si 0.0 {0.729116 0.00828422 0.284912} Si1313 3937 0.0 -1 14 {} Si 0.0 {0.738102 0.0104405 0.540865} Si1314 3938 0.0 -1 14 {} Si 0.0 {0.728427 0.0306457 0.378301} Si1315 3939 0.0 -1 14 {} Si 0.0 {0.738143 0.0368385 0.464665} Si1316 3940 0.0 -1 8 {} O 0.0 {0.728471 0.995715 0.328962} O2625 3941 0.0 -1 8 {} O 0.0 {0.739493 0.0241376 0.506715} O2626 3942 0.0 -1 8 {} O 0.0 {0.730058 0.0203534 0.329292} O2627 3943 0.0 -1 8 {} O 0.0 {0.738008 0.0491235 0.507684} O2628 3944 0.0 -1 8 {} O 0.0 {0.742392 0.0378032 0.413063} O2629 3945 0.0 -1 8 {} O 0.0 {0.732868 0.0332853 0.428897} O2630 3946 0.0 -1 8 {} O 0.0 {0.732802 0.0116734 0.581154} O2631 3947 0.0 -1 8 {} O 0.0 {0.723157 0.00591579 0.580211} O2632 3948 0.0 -1 14 {} Si 0.0 {0.728045 0.0100859 0.628099} Si1317 3949 0.0 -1 14 {} Si 0.0 {0.73875 0.00949801 0.884529} Si1318 3950 0.0 -1 14 {} Si 0.0 {0.728529 0.0353019 0.711548} Si1319 3951 0.0 -1 14 {} Si 0.0 {0.738119 0.033847 0.796331} Si1320 3952 0.0 -1 8 {} O 0.0 {0.729286 0.999659 0.679802} O2633 3953 0.0 -1 8 {} O 0.0 {0.738978 0.0235363 0.853758} O2634 3954 0.0 -1 8 {} O 0.0 {0.727642 0.0243028 0.661292} O2635 3955 0.0 -1 8 {} O 0.0 {0.736974 0.047916 0.829081} O2636 3956 0.0 -1 8 {} O 0.0 {0.743584 0.0367065 0.760795} O2637 3957 0.0 -1 8 {} O 0.0 {0.733196 0.030098 0.754429} O2638 3958 0.0 -1 8 {} O 0.0 {0.732787 0.00800019 0.904848} O2639 3959 0.0 -1 8 {} O 0.0 {0.722824 0.00809449 0.923465} O2640 3960 0.0 -1 14 {} Si 0.0 {0.728586 0.0603013 0.9675} Si1321 3961 0.0 -1 14 {} Si 0.0 {0.738969 0.0592765 0.207336} Si1322 3962 0.0 -1 14 {} Si 0.0 {0.728608 0.0845875 0.0596035} Si1323 3963 0.0 -1 14 {} Si 0.0 {0.738788 0.0870949 0.139428} Si1324 3964 0.0 -1 8 {} O 0.0 {0.729763 0.0461593 0.995314} O2641 3965 0.0 -1 8 {} O 0.0 {0.739196 0.0741036 0.183383} O2642 3966 0.0 -1 8 {} O 0.0 {0.728933 0.0713794 0.0218293} O2643 3967 0.0 -1 8 {} O 0.0 {0.739332 0.0998636 0.184881} O2644 3968 0.0 -1 8 {} O 0.0 {0.742979 0.0888512 0.0831689} O2645 3969 0.0 -1 8 {} O 0.0 {0.732849 0.0867532 0.112064} O2646 3970 0.0 -1 8 {} O 0.0 {0.73348 0.0549463 0.238706} O2647 3971 0.0 -1 8 {} O 0.0 {0.723288 0.0589272 0.26617} O2648 3972 0.0 -1 14 {} Si 0.0 {0.729099 0.0561463 0.295137} Si1325 3973 0.0 -1 14 {} Si 0.0 {0.738411 0.0632112 0.539928} Si1326 3974 0.0 -1 14 {} Si 0.0 {0.72865 0.0824094 0.364702} Si1327 3975 0.0 -1 14 {} Si 0.0 {0.738233 0.087123 0.449084} Si1328 3976 0.0 -1 8 {} O 0.0 {0.727911 0.0445636 0.344801} O2649 3977 0.0 -1 8 {} O 0.0 {0.739239 0.0741118 0.489} O2650 3978 0.0 -1 8 {} O 0.0 {0.730448 0.0688575 0.335009} O2651 3979 0.0 -1 8 {} O 0.0 {0.738803 0.09842 0.498682} O2652 3980 0.0 -1 8 {} O 0.0 {0.742402 0.0877429 0.39235} O2653 3981 0.0 -1 8 {} O 0.0 {0.732498 0.0871029 0.41899} O2654 3982 0.0 -1 8 {} O 0.0 {0.733169 0.0635909 0.580477} O2655 3983 0.0 -1 8 {} O 0.0 {0.723883 0.0539504 0.579457} O2656 3984 0.0 -1 14 {} Si 0.0 {0.728507 0.0583532 0.621939} Si1329 3985 0.0 -1 14 {} Si 0.0 {0.737505 0.0604434 0.870813} Si1330 3986 0.0 -1 14 {} Si 0.0 {0.727551 0.08385 0.706823} Si1331 3987 0.0 -1 14 {} Si 0.0 {0.738006 0.0857602 0.782932} Si1332 3988 0.0 -1 8 {} O 0.0 {0.730141 0.0478937 0.672123} O2657 3989 0.0 -1 8 {} O 0.0 {0.738691 0.0735281 0.825728} O2658 3990 0.0 -1 8 {} O 0.0 {0.726558 0.0713553 0.663995} O2659 3991 0.0 -1 8 {} O 0.0 {0.736865 0.0970016 0.835643} O2660 3992 0.0 -1 8 {} O 0.0 {0.743329 0.0900043 0.748742} O2661 3993 0.0 -1 8 {} O 0.0 {0.733329 0.0862611 0.730259} O2662 3994 0.0 -1 8 {} O 0.0 {0.732861 0.0629913 0.915852} O2663 3995 0.0 -1 8 {} O 0.0 {0.722744 0.058702 0.942206} O2664 3996 0.0 -1 14 {} Si 0.0 {0.750428 0.959099 0.96272} Si1333 3997 0.0 -1 14 {} Si 0.0 {0.760116 0.960079 0.211728} Si1334 3998 0.0 -1 14 {} Si 0.0 {0.74991 0.983144 0.0459072} Si1335 3999 0.0 -1 14 {} Si 0.0 {0.759165 0.985095 0.13644} Si1336 4000 0.0 -1 8 {} O 0.0 {0.750961 0.944625 0.0014247} O2665 4001 0.0 -1 8 {} O 0.0 {0.759802 0.970386 0.157494} O2666 4002 0.0 -1 8 {} O 0.0 {0.751563 0.969109 0.0157721} O2667 4003 0.0 -1 8 {} O 0.0 {0.759841 0.995124 0.191506} O2668 4004 0.0 -1 8 {} O 0.0 {0.76402 0.987719 0.0903082} O2669 4005 0.0 -1 8 {} O 0.0 {0.753962 0.986446 0.10037} O2670 4006 0.0 -1 8 {} O 0.0 {0.754551 0.960464 0.245697} O2671 4007 0.0 -1 8 {} O 0.0 {0.744337 0.960281 0.263236} O2672 4008 0.0 -1 14 {} Si 0.0 {0.749988 0.962862 0.29747} Si1337 4009 0.0 -1 14 {} Si 0.0 {0.759989 0.960774 0.544758} Si1338 4010 0.0 -1 14 {} Si 0.0 {0.749441 0.986934 0.380794} Si1339 4011 0.0 -1 14 {} Si 0.0 {0.759648 0.985827 0.463109} Si1340 4012 0.0 -1 8 {} O 0.0 {0.751225 0.951677 0.345009} O2673 4013 0.0 -1 8 {} O 0.0 {0.76117 0.972323 0.49652} O2674 4014 0.0 -1 8 {} O 0.0 {0.749466 0.976794 0.324216} O2675 4015 0.0 -1 8 {} O 0.0 {0.75808 0.997654 0.503285} O2676 4016 0.0 -1 8 {} O 0.0 {0.764375 0.988543 0.415058} O2677 4017 0.0 -1 8 {} O 0.0 {0.754582 0.982868 0.419448} O2678 4018 0.0 -1 8 {} O 0.0 {0.754142 0.960939 0.571287} O2679 4019 0.0 -1 8 {} O 0.0 {0.744178 0.96195 0.594316} O2680 4020 0.0 -1 14 {} Si 0.0 {0.749883 0.962127 0.623599} Si1341 4021 0.0 -1 14 {} Si 0.0 {0.760281 0.964115 0.884968} Si1342 4022 0.0 -1 14 {} Si 0.0 {0.74927 0.985588 0.714767} Si1343 4023 0.0 -1 14 {} Si 0.0 {0.759537 0.98881 0.793785} Si1344 4024 0.0 -1 8 {} O 0.0 {0.749814 0.949638 0.670864} O2681 4025 0.0 -1 8 {} O 0.0 {0.759872 0.977485 0.84604} O2682 4026 0.0 -1 8 {} O 0.0 {0.75056 0.974651 0.667092} O2683 4027 0.0 -1 8 {} O 0.0 {0.760585 0.00205736 0.827653} O2684 4028 0.0 -1 8 {} O 0.0 {0.763595 0.984587 0.741641} O2685 4029 0.0 -1 8 {} O 0.0 {0.753664 0.987619 0.767726} O2686 4030 0.0 -1 8 {} O 0.0 {0.754773 0.958651 0.909093} O2687 4031 0.0 -1 8 {} O 0.0 {0.744927 0.958907 0.929282} O2688 4032 0.0 -1 14 {} Si 0.0 {0.749338 0.00805273 0.962296} Si1345 4033 0.0 -1 14 {} Si 0.0 {0.759367 0.0096285 0.217736} Si1346 4034 0.0 -1 14 {} Si 0.0 {0.749072 0.0332562 0.0448671} Si1347 4035 0.0 -1 14 {} Si 0.0 {0.75885 0.0328687 0.128564} Si1348 4036 0.0 -1 8 {} O 0.0 {0.750531 0.994536 0.991445} O2689 4037 0.0 -1 8 {} O 0.0 {0.759523 0.0185379 0.159201} O2690 4038 0.0 -1 8 {} O 0.0 {0.750207 0.0200169 0.00800239} O2691 4039 0.0 -1 8 {} O 0.0 {0.758987 0.0440888 0.181124} O2692 4040 0.0 -1 8 {} O 0.0 {0.763885 0.0355327 0.0824901} O2693 4041 0.0 -1 8 {} O 0.0 {0.753737 0.0359602 0.0895229} O2694 4042 0.0 -1 8 {} O 0.0 {0.754122 0.0118608 0.258501} O2695 4043 0.0 -1 8 {} O 0.0 {0.744364 0.00940574 0.257467} O2696 4044 0.0 -1 14 {} Si 0.0 {0.749285 0.0118317 0.303553} Si1349 4045 0.0 -1 14 {} Si 0.0 {0.758396 0.0108118 0.539835} Si1350 4046 0.0 -1 14 {} Si 0.0 {0.748218 0.037435 0.385971} Si1351 4047 0.0 -1 14 {} Si 0.0 {0.758636 0.0376199 0.467066} Si1352 4048 0.0 -1 8 {} O 0.0 {0.749967 0.00142899 0.354387} O2697 4049 0.0 -1 8 {} O 0.0 {0.75942 0.0235109 0.498612} O2698 4050 0.0 -1 8 {} O 0.0 {0.748608 0.0258864 0.338063} O2699 4051 0.0 -1 8 {} O 0.0 {0.759144 0.0477653 0.520966} O2700 4052 0.0 -1 8 {} O 0.0 {0.763634 0.0395452 0.419507} O2701 4053 0.0 -1 8 {} O 0.0 {0.753201 0.0368689 0.431151} O2702 4054 0.0 -1 8 {} O 0.0 {0.753055 0.0125847 0.578818} O2703 4055 0.0 -1 8 {} O 0.0 {0.742868 0.00663111 0.584103} O2704 4056 0.0 -1 14 {} Si 0.0 {0.747848 0.0100046 0.624514} Si1353 4057 0.0 -1 14 {} Si 0.0 {0.758705 0.0130099 0.876647} Si1354 4058 0.0 -1 14 {} Si 0.0 {0.747979 0.0358677 0.707051} Si1355 4059 0.0 -1 14 {} Si 0.0 {0.75768 0.0382991 0.790176} Si1356 4060 0.0 -1 8 {} O 0.0 {0.748054 0.998712 0.676996} O2705 4061 0.0 -1 8 {} O 0.0 {0.758176 0.0276065 0.842994} O2706 4062 0.0 -1 8 {} O 0.0 {0.747129 0.0234931 0.665446} O2707 4063 0.0 -1 8 {} O 0.0 {0.756553 0.052312 0.81701} O2708 4064 0.0 -1 8 {} O 0.0 {0.7634 0.0375398 0.759308} O2709 4065 0.0 -1 8 {} O 0.0 {0.753471 0.0341481 0.740238} O2710 4066 0.0 -1 8 {} O 0.0 {0.753309 0.00959763 0.905885} O2711 4067 0.0 -1 8 {} O 0.0 {0.743255 0.00892678 0.936085} O2712 4068 0.0 -1 14 {} Si 0.0 {0.747399 0.0588098 0.958924} Si1357 4069 0.0 -1 14 {} Si 0.0 {0.75864 0.0585163 0.210476} Si1358 4070 0.0 -1 14 {} Si 0.0 {0.747489 0.083514 0.0409749} Si1359 4071 0.0 -1 14 {} Si 0.0 {0.75756 0.08211 0.123721} Si1360 4072 0.0 -1 8 {} O 0.0 {0.748065 0.0447603 0.995901} O2713 4073 0.0 -1 8 {} O 0.0 {0.758186 0.0678282 0.150229} O2714 4074 0.0 -1 8 {} O 0.0 {0.746809 0.0694683 0.00867118} O2715 4075 0.0 -1 8 {} O 0.0 {0.756555 0.0912998 0.188646} O2716 4076 0.0 -1 8 {} O 0.0 {0.762465 0.088299 0.0897442} O2717 4077 0.0 -1 8 {} O 0.0 {0.752794 0.0861283 0.0804325} O2718 4078 0.0 -1 8 {} O 0.0 {0.752901 0.0599846 0.243772} O2719 4079 0.0 -1 8 {} O 0.0 {0.742889 0.0594279 0.26588} O2720 4080 0.0 -1 14 {} Si 0.0 {0.748424 0.0616617 0.294617} Si1361 4081 0.0 -1 14 {} Si 0.0 {0.759029 0.0621037 0.548969} Si1362 4082 0.0 -1 14 {} Si 0.0 {0.748301 0.0876127 0.369646} Si1363 4083 0.0 -1 14 {} Si 0.0 {0.757627 0.0866999 0.46006} Si1364 4084 0.0 -1 8 {} O 0.0 {0.74938 0.0504854 0.346892} O2721 4085 0.0 -1 8 {} O 0.0 {0.758598 0.0730345 0.496154} O2722 4086 0.0 -1 8 {} O 0.0 {0.749387 0.0752852 0.32686} O2723 4087 0.0 -1 8 {} O 0.0 {0.75752 0.0976858 0.514254} O2724 4088 0.0 -1 8 {} O 0.0 {0.762006 0.0916379 0.410769} O2725 4089 0.0 -1 8 {} O 0.0 {0.751971 0.0887778 0.435567} O2726 4090 0.0 -1 8 {} O 0.0 {0.753609 0.0624119 0.586629} O2727 4091 0.0 -1 8 {} O 0.0 {0.743305 0.0638773 0.589252} O2728 4092 0.0 -1 14 {} Si 0.0 {0.748522 0.0609565 0.626064} Si1365 4093 0.0 -1 14 {} Si 0.0 {0.757437 0.0627257 0.872138} Si1366 4094 0.0 -1 14 {} Si 0.0 {0.748089 0.0875785 0.704114} Si1367 4095 0.0 -1 14 {} Si 0.0 {0.757181 0.0890681 0.799176} Si1368 4096 0.0 -1 8 {} O 0.0 {0.74773 0.0482484 0.664225} O2729 4097 0.0 -1 8 {} O 0.0 {0.756229 0.0766963 0.842626} O2730 4098 0.0 -1 8 {} O 0.0 {0.748173 0.0732449 0.675319} O2731 4099 0.0 -1 8 {} O 0.0 {0.756193 0.102552 0.839522} O2732 4100 0.0 -1 8 {} O 0.0 {0.763131 0.0895615 0.777094} O2733 4101 0.0 -1 8 {} O 0.0 {0.753438 0.0893849 0.741161} O2734 4102 0.0 -1 8 {} O 0.0 {0.753005 0.0601566 0.923443} O2735 4103 0.0 -1 8 {} O 0.0 {0.742704 0.0589068 0.914096} O2736 4104 0.0 -1 14 {} Si 0.0 {0.769822 0.965758 0.971458} Si1369 4105 0.0 -1 14 {} Si 0.0 {0.780516 0.967305 0.210626} Si1370 4106 0.0 -1 14 {} Si 0.0 {0.769514 0.990042 0.0547854} Si1371 4107 0.0 -1 14 {} Si 0.0 {0.779211 0.992818 0.138016} Si1372 4108 0.0 -1 8 {} O 0.0 {0.77057 0.954453 0.0199639} O2737 4109 0.0 -1 8 {} O 0.0 {0.781141 0.982021 0.189486} O2738 4110 0.0 -1 8 {} O 0.0 {0.77124 0.978773 0.00834802} O2739 4111 0.0 -1 8 {} O 0.0 {0.779268 0.00772047 0.167803} O2740 4112 0.0 -1 8 {} O 0.0 {0.783348 0.99061 0.0849998} O2741 4113 0.0 -1 8 {} O 0.0 {0.773638 0.990058 0.110617} O2742 4114 0.0 -1 8 {} O 0.0 {0.774627 0.967085 0.235261} O2743 4115 0.0 -1 8 {} O 0.0 {0.764552 0.961533 0.265839} O2744 4116 0.0 -1 14 {} Si 0.0 {0.770094 0.966131 0.288012} Si1373 4117 0.0 -1 14 {} Si 0.0 {0.780614 0.961389 0.549225} Si1374 4118 0.0 -1 14 {} Si 0.0 {0.7702 0.990443 0.388944} Si1375 4119 0.0 -1 14 {} Si 0.0 {0.779834 0.988819 0.476741} Si1376 4120 0.0 -1 8 {} O 0.0 {0.771955 0.954687 0.337099} O2745 4121 0.0 -1 8 {} O 0.0 {0.78025 0.974998 0.510502} O2746 4122 0.0 -1 8 {} O 0.0 {0.770655 0.979343 0.335361} O2747 4123 0.0 -1 8 {} O 0.0 {0.779968 0.00101195 0.525204} O2748 4124 0.0 -1 8 {} O 0.0 {0.784626 0.989267 0.430719} O2749 4125 0.0 -1 8 {} O 0.0 {0.774026 0.989324 0.44491} O2750 4126 0.0 -1 8 {} O 0.0 {0.775023 0.959881 0.579218} O2751 4127 0.0 -1 8 {} O 0.0 {0.764412 0.960306 0.599338} O2752 4128 0.0 -1 14 {} Si 0.0 {0.770076 0.963979 0.622372} Si1377 4129 0.0 -1 14 {} Si 0.0 {0.779871 0.964407 0.886308} Si1378 4130 0.0 -1 14 {} Si 0.0 {0.76917 0.988533 0.710566} Si1379 4131 0.0 -1 14 {} Si 0.0 {0.778922 0.987665 0.794379} Si1380 4132 0.0 -1 8 {} O 0.0 {0.771213 0.953387 0.675779} O2753 4133 0.0 -1 8 {} O 0.0 {0.780272 0.976488 0.839199} O2754 4134 0.0 -1 8 {} O 0.0 {0.770261 0.978317 0.653604} O2755 4135 0.0 -1 8 {} O 0.0 {0.779668 0.00159025 0.8297} O2756 4136 0.0 -1 8 {} O 0.0 {0.782715 0.987371 0.735109} O2757 4137 0.0 -1 8 {} O 0.0 {0.773019 0.987544 0.768786} O2758 4138 0.0 -1 8 {} O 0.0 {0.774265 0.963793 0.91847} O2759 4139 0.0 -1 8 {} O 0.0 {0.764006 0.965768 0.944153} O2760 4140 0.0 -1 14 {} Si 0.0 {0.768879 0.0129135 0.95918} Si1381 4141 0.0 -1 14 {} Si 0.0 {0.778606 0.0205873 0.215104} Si1382 4142 0.0 -1 14 {} Si 0.0 {0.768668 0.0390016 0.0372973} Si1383 4143 0.0 -1 14 {} Si 0.0 {0.778573 0.0434632 0.124061} Si1384 4144 0.0 -1 8 {} O 0.0 {0.768985 0.0029746 0.0128742} O2761 4145 0.0 -1 8 {} O 0.0 {0.77749 0.0329312 0.173085} O2762 4146 0.0 -1 8 {} O 0.0 {0.769912 0.0266157 0.998335} O2763 4147 0.0 -1 8 {} O 0.0 {0.778786 0.0583985 0.145469} O2764 4148 0.0 -1 8 {} O 0.0 {0.783855 0.0392144 0.0883636} O2765 4149 0.0 -1 8 {} O 0.0 {0.773714 0.0431156 0.0760079} O2766 4150 0.0 -1 8 {} O 0.0 {0.774127 0.0141151 0.256608} O2767 4151 0.0 -1 8 {} O 0.0 {0.764117 0.0138297 0.260744} O2768 4152 0.0 -1 14 {} Si 0.0 {0.769378 0.0155768 0.303634} Si1385 4153 0.0 -1 14 {} Si 0.0 {0.778203 0.0142377 0.55376} Si1386 4154 0.0 -1 14 {} Si 0.0 {0.768905 0.0406148 0.384017} Si1387 4155 0.0 -1 14 {} Si 0.0 {0.778221 0.0401277 0.474518} Si1388 4156 0.0 -1 8 {} O 0.0 {0.769734 0.00503234 0.361927} O2769 4157 0.0 -1 8 {} O 0.0 {0.777955 0.0256053 0.503075} O2770 4158 0.0 -1 8 {} O 0.0 {0.769793 0.0297558 0.332521} O2771 4159 0.0 -1 8 {} O 0.0 {0.778894 0.0511763 0.526177} O2772 4160 0.0 -1 8 {} O 0.0 {0.783398 0.0409939 0.431902} O2773 4161 0.0 -1 8 {} O 0.0 {0.773407 0.0431177 0.433143} O2774 4162 0.0 -1 8 {} O 0.0 {0.772523 0.0145755 0.585512} O2775 4163 0.0 -1 8 {} O 0.0 {0.762504 0.00889764 0.595058} O2776 4164 0.0 -1 14 {} Si 0.0 {0.767727 0.013392 0.631867} Si1389 4165 0.0 -1 14 {} Si 0.0 {0.778611 0.0132769 0.875764} Si1390 4166 0.0 -1 14 {} Si 0.0 {0.768309 0.0377795 0.712467} Si1391 4167 0.0 -1 14 {} Si 0.0 {0.778172 0.0397049 0.798674} Si1392 4168 0.0 -1 8 {} O 0.0 {0.768419 0.00343402 0.688414} O2777 4169 0.0 -1 8 {} O 0.0 {0.779185 0.0275613 0.843611} O2778 4170 0.0 -1 8 {} O 0.0 {0.766768 0.0273046 0.660423} O2779 4171 0.0 -1 8 {} O 0.0 {0.777003 0.0531032 0.831202} O2780 4172 0.0 -1 8 {} O 0.0 {0.783111 0.0397764 0.751633} O2781 4173 0.0 -1 8 {} O 0.0 {0.77324 0.0349157 0.756031} O2782 4174 0.0 -1 8 {} O 0.0 {0.773109 0.0121213 0.906747} O2783 4175 0.0 -1 8 {} O 0.0 {0.762968 0.013429 0.929085} O2784 4176 0.0 -1 14 {} Si 0.0 {0.767366 0.0635734 0.951272} Si1393 4177 0.0 -1 14 {} Si 0.0 {0.778144 0.0692683 0.197956} Si1394 4178 0.0 -1 14 {} Si 0.0 {0.766829 0.0885519 0.0375566} Si1395 4179 0.0 -1 14 {} Si 0.0 {0.77697 0.0940721 0.114806} Si1396 4180 0.0 -1 8 {} O 0.0 {0.76724 0.0509383 0.995225} O2785 4181 0.0 -1 8 {} O 0.0 {0.777051 0.082673 0.165902} O2786 4182 0.0 -1 8 {} O 0.0 {0.766333 0.0759717 0.992547} O2787 4183 0.0 -1 8 {} O 0.0 {0.775901 0.108363 0.138194} O2788 4184 0.0 -1 8 {} O 0.0 {0.782897 0.0952589 0.089742} O2789 4185 0.0 -1 8 {} O 0.0 {0.772705 0.0912193 0.0638621} O2790 4186 0.0 -1 8 {} O 0.0 {0.773591 0.0662691 0.244168} O2791 4187 0.0 -1 8 {} O 0.0 {0.763072 0.0636478 0.253005} O2792 4188 0.0 -1 14 {} Si 0.0 {0.768467 0.0650804 0.287563} Si1397 4189 0.0 -1 14 {} Si 0.0 {0.778099 0.0658743 0.545791} Si1398 4190 0.0 -1 14 {} Si 0.0 {0.76756 0.0910348 0.374396} Si1399 4191 0.0 -1 14 {} Si 0.0 {0.777913 0.0898063 0.452723} Si1400 4192 0.0 -1 8 {} O 0.0 {0.769001 0.0540176 0.339952} O2793 4193 0.0 -1 8 {} O 0.0 {0.777412 0.07566 0.488596} O2794 4194 0.0 -1 8 {} O 0.0 {0.768441 0.0783746 0.328358} O2795 4195 0.0 -1 8 {} O 0.0 {0.778759 0.0992713 0.510053} O2796 4196 0.0 -1 8 {} O 0.0 {0.78276 0.0896473 0.405857} O2797 4197 0.0 -1 8 {} O 0.0 {0.772297 0.0934077 0.421027} O2798 4198 0.0 -1 8 {} O 0.0 {0.773216 0.0683322 0.590715} O2799 4199 0.0 -1 8 {} O 0.0 {0.763217 0.0655632 0.60068} O2800 4200 0.0 -1 14 {} Si 0.0 {0.768642 0.0649675 0.639512} Si1401 4201 0.0 -1 14 {} Si 0.0 {0.777934 0.0647006 0.877006} Si1402 4202 0.0 -1 14 {} Si 0.0 {0.767642 0.0901235 0.726247} Si1403 4203 0.0 -1 14 {} Si 0.0 {0.777904 0.0919193 0.803598} Si1404 4204 0.0 -1 8 {} O 0.0 {0.76923 0.0513646 0.674219} O2801 4205 0.0 -1 8 {} O 0.0 {0.777951 0.0774279 0.833085} O2802 4206 0.0 -1 8 {} O 0.0 {0.767939 0.0763663 0.691585} O2803 4207 0.0 -1 8 {} O 0.0 {0.777794 0.101919 0.86188} O2804 4208 0.0 -1 8 {} O 0.0 {0.78296 0.0957808 0.761909} O2805 4209 0.0 -1 8 {} O 0.0 {0.772691 0.0936248 0.764064} O2806 4210 0.0 -1 8 {} O 0.0 {0.77301 0.0652995 0.922403} O2807 4211 0.0 -1 8 {} O 0.0 {0.763007 0.0616967 0.898324} O2808 4212 0.0 -1 14 {} Si 0.0 {0.789633 0.967697 0.967024} Si1405 4213 0.0 -1 14 {} Si 0.0 {0.799963 0.964801 0.208381} Si1406 4214 0.0 -1 14 {} Si 0.0 {0.788811 0.992971 0.0516166} Si1407 4215 0.0 -1 14 {} Si 0.0 {0.799161 0.990798 0.138329} Si1408 4216 0.0 -1 8 {} O 0.0 {0.791555 0.957278 0.0174018} O2809 4217 0.0 -1 8 {} O 0.0 {0.800103 0.97683 0.163276} O2810 4218 0.0 -1 8 {} O 0.0 {0.789332 0.981468 0.00308154} O2811 4219 0.0 -1 8 {} O 0.0 {0.798771 0.00136219 0.192201} O2812 4220 0.0 -1 8 {} O 0.0 {0.804277 0.992185 0.0934888} O2813 4221 0.0 -1 8 {} O 0.0 {0.794018 0.991087 0.0947485} O2814 4222 0.0 -1 8 {} O 0.0 {0.794539 0.965834 0.247339} O2815 4223 0.0 -1 8 {} O 0.0 {0.784249 0.964187 0.269684} O2816 4224 0.0 -1 14 {} Si 0.0 {0.790311 0.967255 0.300676} Si1409 4225 0.0 -1 14 {} Si 0.0 {0.79867 0.968433 0.519502} Si1410 4226 0.0 -1 14 {} Si 0.0 {0.788785 0.99326 0.376393} Si1411 4227 0.0 -1 14 {} Si 0.0 {0.798477 0.995239 0.458134} Si1412 4228 0.0 -1 8 {} O 0.0 {0.791948 0.956167 0.353462} O2817 4229 0.0 -1 8 {} O 0.0 {0.798437 0.983428 0.506366} O2818 4230 0.0 -1 8 {} O 0.0 {0.790191 0.979795 0.347284} O2819 4231 0.0 -1 8 {} O 0.0 {0.799924 0.00773985 0.499235} O2820 4232 0.0 -1 8 {} O 0.0 {0.803227 0.993451 0.408918} O2821 4233 0.0 -1 8 {} O 0.0 {0.793568 0.99809 0.419411} O2822 4234 0.0 -1 8 {} O 0.0 {0.793968 0.964389 0.562503} O2823 4235 0.0 -1 8 {} O 0.0 {0.784741 0.962466 0.604361} O2824 4236 0.0 -1 14 {} Si 0.0 {0.790649 0.966228 0.626606} Si1413 4237 0.0 -1 14 {} Si 0.0 {0.799652 0.969303 0.886305} Si1414 4238 0.0 -1 14 {} Si 0.0 {0.78847 0.991498 0.710005} Si1415 4239 0.0 -1 14 {} Si 0.0 {0.798426 0.993393 0.79237} Si1416 4240 0.0 -1 8 {} O 0.0 {0.793136 0.957824 0.679411} O2825 4241 0.0 -1 8 {} O 0.0 {0.799886 0.98183 0.839863} O2826 4242 0.0 -1 8 {} O 0.0 {0.790469 0.98076 0.66017} O2827 4243 0.0 -1 8 {} O 0.0 {0.79894 0.00745551 0.822296} O2828 4244 0.0 -1 8 {} O 0.0 {0.803192 0.992586 0.74396} O2829 4245 0.0 -1 8 {} O 0.0 {0.793075 0.990666 0.760606} O2830 4246 0.0 -1 8 {} O 0.0 {0.793793 0.96697 0.908015} O2831 4247 0.0 -1 8 {} O 0.0 {0.784184 0.963735 0.939432} O2832 4248 0.0 -1 14 {} Si 0.0 {0.788216 0.0169656 0.961538} Si1417 4249 0.0 -1 14 {} Si 0.0 {0.799082 0.0158569 0.215008} Si1418 4250 0.0 -1 14 {} Si 0.0 {0.788396 0.0413685 0.0418654} Si1419 4251 0.0 -1 14 {} Si 0.0 {0.798843 0.0380966 0.121283} Si1420 4252 0.0 -1 8 {} O 0.0 {0.789454 0.00662689 0.0183698} O2833 4253 0.0 -1 8 {} O 0.0 {0.798331 0.0247089 0.155248} O2834 4254 0.0 -1 8 {} O 0.0 {0.788483 0.0314291 0.987583} O2835 4255 0.0 -1 8 {} O 0.0 {0.79887 0.0500161 0.171331} O2836 4256 0.0 -1 8 {} O 0.0 {0.803884 0.0395677 0.0826093} O2837 4257 0.0 -1 8 {} O 0.0 {0.793521 0.0416248 0.0803615} O2838 4258 0.0 -1 8 {} O 0.0 {0.794185 0.017506 0.258619} O2839 4259 0.0 -1 8 {} O 0.0 {0.783983 0.0232267 0.251287} O2840 4260 0.0 -1 14 {} Si 0.0 {0.788685 0.0174972 0.294485} Si1421 4261 0.0 -1 14 {} Si 0.0 {0.798176 0.0189179 0.550492} Si1422 4262 0.0 -1 14 {} Si 0.0 {0.7883 0.0422885 0.381305} Si1423 4263 0.0 -1 14 {} Si 0.0 {0.79799 0.0443012 0.46644} Si1424 4264 0.0 -1 8 {} O 0.0 {0.78741 0.00386088 0.322398} O2841 4265 0.0 -1 8 {} O 0.0 {0.796922 0.0314973 0.508269} O2842 4266 0.0 -1 8 {} O 0.0 {0.788471 0.0280785 0.350375} O2843 4267 0.0 -1 8 {} O 0.0 {0.797615 0.0563239 0.510744} O2844 4268 0.0 -1 8 {} O 0.0 {0.804043 0.0456056 0.438318} O2845 4269 0.0 -1 8 {} O 0.0 {0.793821 0.0459287 0.413583} O2846 4270 0.0 -1 8 {} O 0.0 {0.79274 0.0144937 0.584961} O2847 4271 0.0 -1 8 {} O 0.0 {0.782593 0.0177416 0.600697} O2848 4272 0.0 -1 14 {} Si 0.0 {0.788284 0.017613 0.633337} Si1425 4273 0.0 -1 14 {} Si 0.0 {0.797926 0.018459 0.870821} Si1426 4274 0.0 -1 14 {} Si 0.0 {0.788054 0.0425912 0.709614} Si1427 4275 0.0 -1 14 {} Si 0.0 {0.797339 0.0450627 0.800547} Si1428 4276 0.0 -1 8 {} O 0.0 {0.788149 0.00579695 0.684656} O2849 4277 0.0 -1 8 {} O 0.0 {0.79659 0.0311287 0.83024} O2850 4278 0.0 -1 8 {} O 0.0 {0.789687 0.029714 0.672811} O2851 4279 0.0 -1 8 {} O 0.0 {0.797633 0.0564294 0.85009} O2852 4280 0.0 -1 8 {} O 0.0 {0.802861 0.0453907 0.764264} O2853 4281 0.0 -1 8 {} O 0.0 {0.792794 0.0479572 0.749993} O2854 4282 0.0 -1 8 {} O 0.0 {0.792833 0.0147714 0.912118} O2855 4283 0.0 -1 8 {} O 0.0 {0.783004 0.0123835 0.926528} O2856 4284 0.0 -1 14 {} Si 0.0 {0.787645 0.0670404 0.962562} Si1429 4285 0.0 -1 14 {} Si 0.0 {0.798226 0.0635129 0.204631} Si1430 4286 0.0 -1 14 {} Si 0.0 {0.787123 0.0922173 0.037436} Si1431 4287 0.0 -1 14 {} Si 0.0 {0.797633 0.0890114 0.124845} Si1432 4288 0.0 -1 8 {} O 0.0 {0.787151 0.0555339 0.0124669} O2857 4289 0.0 -1 8 {} O 0.0 {0.797683 0.075362 0.157699} O2858 4290 0.0 -1 8 {} O 0.0 {0.785979 0.0808746 0.989589} O2859 4291 0.0 -1 8 {} O 0.0 {0.796448 0.103076 0.164193} O2860 4292 0.0 -1 8 {} O 0.0 {0.803016 0.0927355 0.0945949} O2861 4293 0.0 -1 8 {} O 0.0 {0.793086 0.0913073 0.0719476} O2862 4294 0.0 -1 8 {} O 0.0 {0.792928 0.0625816 0.24674} O2863 4295 0.0 -1 8 {} O 0.0 {0.78366 0.0696231 0.234052} O2864 4296 0.0 -1 14 {} Si 0.0 {0.787676 0.0646502 0.286643} Si1433 4297 0.0 -1 14 {} Si 0.0 {0.79772 0.0699779 0.547787} Si1434 4298 0.0 -1 14 {} Si 0.0 {0.788097 0.0905436 0.360873} Si1435 4299 0.0 -1 14 {} Si 0.0 {0.797395 0.0933963 0.456825} Si1436 4300 0.0 -1 8 {} O 0.0 {0.786789 0.052153 0.327464} O2865 4301 0.0 -1 8 {} O 0.0 {0.796406 0.0821997 0.504514} O2866 4302 0.0 -1 8 {} O 0.0 {0.788792 0.0758746 0.334336} O2867 4303 0.0 -1 8 {} O 0.0 {0.797336 0.106595 0.493318} O2868 4304 0.0 -1 8 {} O 0.0 {0.803134 0.090013 0.428853} O2869 4305 0.0 -1 8 {} O 0.0 {0.793133 0.0952175 0.400573} O2870 4306 0.0 -1 8 {} O 0.0 {0.79318 0.0695536 0.600376} O2871 4307 0.0 -1 8 {} O 0.0 {0.783038 0.0705884 0.582127} O2872 4308 0.0 -1 14 {} Si 0.0 {0.787664 0.0687293 0.632125} Si1437 4309 0.0 -1 14 {} Si 0.0 {0.798067 0.0697875 0.888954} Si1438 4310 0.0 -1 14 {} Si 0.0 {0.787467 0.0929502 0.715203} Si1439 4311 0.0 -1 14 {} Si 0.0 {0.797751 0.0937275 0.797985} Si1440 4312 0.0 -1 8 {} O 0.0 {0.787233 0.0542786 0.663775} O2873 4313 0.0 -1 8 {} O 0.0 {0.796911 0.081046 0.842537} O2874 4314 0.0 -1 8 {} O 0.0 {0.786856 0.078929 0.685628} O2875 4315 0.0 -1 8 {} O 0.0 {0.798572 0.106523 0.836646} O2876 4316 0.0 -1 8 {} O 0.0 {0.802823 0.0936141 0.754176} O2877 4317 0.0 -1 8 {} O 0.0 {0.792928 0.0948878 0.750305} O2878 4318 0.0 -1 8 {} O 0.0 {0.793362 0.0687993 0.939389} O2879 4319 0.0 -1 8 {} O 0.0 {0.783659 0.0634503 0.909699} O2880 4320 0.0 -1 14 {} Si 0.0 {0.809347 0.970179 0.974943} Si1441 4321 0.0 -1 14 {} Si 0.0 {0.81801 0.971969 0.170622} Si1442 4322 0.0 -1 14 {} Si 0.0 {0.808519 0.996253 0.0449108} Si1443 4323 0.0 -1 14 {} Si 0.0 {0.81796 0.00108835 0.133833} Si1444 4324 0.0 -1 8 {} O 0.0 {0.80937 0.960869 0.0328179} O2881 4325 0.0 -1 8 {} O 0.0 {0.818339 0.986918 0.163737} O2882 4326 0.0 -1 8 {} O 0.0 {0.810645 0.984321 0.00363085} O2883 4327 0.0 -1 8 {} O 0.0 {0.817436 0.0125411 0.183265} O2884 4328 0.0 -1 8 {} O 0.0 {0.823387 0.00231232 0.0965083} O2885 4329 0.0 -1 8 {} O 0.0 {0.813446 0.00120108 0.0829935} O2886 4330 0.0 -1 8 {} O 0.0 {0.813214 0.968705 0.215091} O2887 4331 0.0 -1 8 {} O 0.0 {0.804582 0.966319 0.262066} O2888 4332 0.0 -1 14 {} Si 0.0 {0.810364 0.969523 0.285266} Si1445 4333 0.0 -1 14 {} Si 0.0 {0.818624 0.968781 0.553937} Si1446 4334 0.0 -1 14 {} Si 0.0 {0.808737 0.994114 0.378434} Si1447 4335 0.0 -1 14 {} Si 0.0 {0.8178 0.994008 0.477459} Si1448 4336 0.0 -1 8 {} O 0.0 {0.812609 0.959805 0.333817} O2889 4337 0.0 -1 8 {} O 0.0 {0.818581 0.983631 0.532934} O2890 4338 0.0 -1 8 {} O 0.0 {0.809629 0.983384 0.325602} O2891 4339 0.0 -1 8 {} O 0.0 {0.817322 0.00900497 0.497092} O2892 4340 0.0 -1 8 {} O 0.0 {0.822858 0.991902 0.432154} O2893 4341 0.0 -1 8 {} O 0.0 {0.81284 0.990496 0.432931} O2894 4342 0.0 -1 8 {} O 0.0 {0.813472 0.964384 0.588913} O2895 4343 0.0 -1 8 {} O 0.0 {0.803904 0.965162 0.554544} O2896 4344 0.0 -1 14 {} Si 0.0 {0.807797 0.966814 0.615917} Si1449 4345 0.0 -1 14 {} Si 0.0 {0.818357 0.968103 0.878657} Si1450 4346 0.0 -1 14 {} Si 0.0 {0.80808 0.991603 0.697415} Si1451 4347 0.0 -1 14 {} Si 0.0 {0.817445 0.991477 0.786866} Si1452 4348 0.0 -1 8 {} O 0.0 {0.805251 0.956223 0.662071} O2897 4349 0.0 -1 8 {} O 0.0 {0.81789 0.981525 0.843636} O2898 4350 0.0 -1 8 {} O 0.0 {0.807353 0.980383 0.647824} O2899 4351 0.0 -1 8 {} O 0.0 {0.817052 0.00587804 0.809382} O2900 4352 0.0 -1 8 {} O 0.0 {0.8225 0.990925 0.736392} O2901 4353 0.0 -1 8 {} O 0.0 {0.812675 0.987553 0.746011} O2902 4354 0.0 -1 8 {} O 0.0 {0.813287 0.965964 0.921266} O2903 4355 0.0 -1 8 {} O 0.0 {0.80369 0.970219 0.942766} O2904 4356 0.0 -1 14 {} Si 0.0 {0.807999 0.0185999 0.95279} Si1453 4357 0.0 -1 14 {} Si 0.0 {0.818459 0.0249985 0.224289} Si1454 4358 0.0 -1 14 {} Si 0.0 {0.808723 0.043304 0.0342693} Si1455 4359 0.0 -1 14 {} Si 0.0 {0.81858 0.0464856 0.11946} Si1456 4360 0.0 -1 8 {} O 0.0 {0.806765 0.00748527 0.999145} O2905 4361 0.0 -1 8 {} O 0.0 {0.817641 0.0372811 0.180856} O2906 4362 0.0 -1 8 {} O 0.0 {0.810008 0.0306558 0.992183} O2907 4363 0.0 -1 8 {} O 0.0 {0.818106 0.0609781 0.152392} O2908 4364 0.0 -1 8 {} O 0.0 {0.823885 0.0459986 0.0848953} O2909 4365 0.0 -1 8 {} O 0.0 {0.813617 0.0468571 0.074085} O2910 4366 0.0 -1 8 {} O 0.0 {0.814101 0.0261379 0.275038} O2911 4367 0.0 -1 8 {} O 0.0 {0.804324 0.0197407 0.249326} O2912 4368 0.0 -1 14 {} Si 0.0 {0.808717 0.0202191 0.30195} Si1457 4369 0.0 -1 14 {} Si 0.0 {0.818185 0.0196881 0.547905} Si1458 4370 0.0 -1 14 {} Si 0.0 {0.808387 0.0445342 0.385479} Si1459 4371 0.0 -1 14 {} Si 0.0 {0.818636 0.0449527 0.465826} Si1460 4372 0.0 -1 8 {} O 0.0 {0.80999 0.0071912 0.33882} O2913 4373 0.0 -1 8 {} O 0.0 {0.819404 0.0340933 0.516099} O2914 4374 0.0 -1 8 {} O 0.0 {0.806894 0.0312129 0.348631} O2915 4375 0.0 -1 8 {} O 0.0 {0.816672 0.0569148 0.503379} O2916 4376 0.0 -1 8 {} O 0.0 {0.824096 0.0475306 0.435806} O2917 4377 0.0 -1 8 {} O 0.0 {0.814216 0.0422461 0.415737} O2918 4378 0.0 -1 8 {} O 0.0 {0.813368 0.0219357 0.594151} O2919 4379 0.0 -1 8 {} O 0.0 {0.803129 0.0196632 0.592777} O2920 4380 0.0 -1 14 {} Si 0.0 {0.808198 0.0195122 0.633582} Si1461 4381 0.0 -1 14 {} Si 0.0 {0.81739 0.0166221 0.862677} Si1462 4382 0.0 -1 14 {} Si 0.0 {0.807637 0.0445048 0.716068} Si1463 4383 0.0 -1 14 {} Si 0.0 {0.817479 0.0440764 0.797277} Si1464 4384 0.0 -1 8 {} O 0.0 {0.808866 0.00496868 0.661132} O2921 4385 0.0 -1 8 {} O 0.0 {0.817075 0.03066 0.832086} O2922 4386 0.0 -1 8 {} O 0.0 {0.807691 0.0301248 0.685556} O2923 4387 0.0 -1 8 {} O 0.0 {0.818013 0.0544045 0.849432} O2924 4388 0.0 -1 8 {} O 0.0 {0.822557 0.0446616 0.755049} O2925 4389 0.0 -1 8 {} O 0.0 {0.812847 0.0479104 0.752782} O2926 4390 0.0 -1 8 {} O 0.0 {0.812386 0.0140986 0.906184} O2927 4391 0.0 -1 8 {} O 0.0 {0.802751 0.0211472 0.911613} O2928 4392 0.0 -1 14 {} Si 0.0 {0.808421 0.0688425 0.961795} Si1465 4393 0.0 -1 14 {} Si 0.0 {0.818702 0.0694488 0.214765} Si1466 4394 0.0 -1 14 {} Si 0.0 {0.808566 0.0921104 0.0592185} Si1467 4395 0.0 -1 14 {} Si 0.0 {0.819256 0.0939724 0.13125} Si1468 4396 0.0 -1 8 {} O 0.0 {0.807043 0.0551767 0.991584} O2929 4397 0.0 -1 8 {} O 0.0 {0.819752 0.0838625 0.186404} O2930 4398 0.0 -1 8 {} O 0.0 {0.808843 0.0792169 0.0178538} O2931 4399 0.0 -1 8 {} O 0.0 {0.819861 0.108781 0.159241} O2932 4400 0.0 -1 8 {} O 0.0 {0.823461 0.093158 0.0776638} O2933 4401 0.0 -1 8 {} O 0.0 {0.813442 0.0940505 0.106293} O2934 4402 0.0 -1 8 {} O 0.0 {0.813965 0.0702196 0.262715} O2935 4403 0.0 -1 8 {} O 0.0 {0.803737 0.0655825 0.243832} O2936 4404 0.0 -1 14 {} Si 0.0 {0.808261 0.0685452 0.291216} Si1469 4405 0.0 -1 14 {} Si 0.0 {0.818156 0.0697474 0.547801} Si1470 4406 0.0 -1 14 {} Si 0.0 {0.807657 0.0925877 0.381099} Si1471 4407 0.0 -1 14 {} Si 0.0 {0.81803 0.0947377 0.464053} Si1472 4408 0.0 -1 8 {} O 0.0 {0.808577 0.0574528 0.342704} O2937 4409 0.0 -1 8 {} O 0.0 {0.818893 0.0823976 0.507093} O2938 4410 0.0 -1 8 {} O 0.0 {0.80772 0.0823394 0.326241} O2939 4411 0.0 -1 8 {} O 0.0 {0.817564 0.109214 0.498221} O2940 4412 0.0 -1 8 {} O 0.0 {0.822786 0.0971147 0.418939} O2941 4413 0.0 -1 8 {} O 0.0 {0.81283 0.0941316 0.418331} O2942 4414 0.0 -1 8 {} O 0.0 {0.813155 0.0721916 0.59042} O2943 4415 0.0 -1 8 {} O 0.0 {0.802825 0.0720115 0.590169} O2944 4416 0.0 -1 14 {} Si 0.0 {0.808193 0.0677676 0.627119} Si1473 4417 0.0 -1 14 {} Si 0.0 {0.819032 0.0679479 0.887721} Si1474 4418 0.0 -1 14 {} Si 0.0 {0.808471 0.0911509 0.724661} Si1475 4419 0.0 -1 14 {} Si 0.0 {0.818527 0.0919544 0.803955} Si1476 4420 0.0 -1 8 {} O 0.0 {0.807262 0.0543983 0.656516} O2945 4421 0.0 -1 8 {} O 0.0 {0.820405 0.0803085 0.848471} O2946 4422 0.0 -1 8 {} O 0.0 {0.807979 0.0769518 0.690958} O2947 4423 0.0 -1 8 {} O 0.0 {0.817739 0.104054 0.847864} O2948 4424 0.0 -1 8 {} O 0.0 {0.823072 0.0955732 0.754336} O2949 4425 0.0 -1 8 {} O 0.0 {0.813155 0.0882381 0.769405} O2950 4426 0.0 -1 8 {} O 0.0 {0.813584 0.0692579 0.922502} O2951 4427 0.0 -1 8 {} O 0.0 {0.80364 0.0733166 0.915991} O2952 4428 0.0 -1 14 {} Si 0.0 {0.82692 0.968556 0.984513} Si1477 4429 0.0 -1 14 {} Si 0.0 {0.836212 0.962946 0.207726} Si1478 4430 0.0 -1 14 {} Si 0.0 {0.827359 0.996231 0.0496544} Si1479 4431 0.0 -1 14 {} Si 0.0 {0.83667 0.990471 0.143703} Si1480 4432 0.0 -1 8 {} O 0.0 {0.826235 0.95862 0.0418384} O2953 4433 0.0 -1 8 {} O 0.0 {0.83581 0.977015 0.179111} O2954 4434 0.0 -1 8 {} O 0.0 {0.825315 0.982655 0.0147136} O2955 4435 0.0 -1 8 {} O 0.0 {0.835982 0.00316105 0.18724} O2956 4436 0.0 -1 8 {} O 0.0 {0.842054 0.988743 0.103506} O2957 4437 0.0 -1 8 {} O 0.0 {0.832254 0.992211 0.0895223} O2958 4438 0.0 -1 8 {} O 0.0 {0.831589 0.962664 0.257138} O2959 4439 0.0 -1 8 {} O 0.0 {0.822614 0.968268 0.220789} O2960 4440 0.0 -1 14 {} Si 0.0 {0.825779 0.966903 0.287321} Si1481 4441 0.0 -1 14 {} Si 0.0 {0.837251 0.969606 0.52193} Si1482 4442 0.0 -1 14 {} Si 0.0 {0.826892 0.99227 0.375854} Si1483 4443 0.0 -1 14 {} Si 0.0 {0.837279 0.995702 0.451467} Si1484 4444 0.0 -1 8 {} O 0.0 {0.822452 0.95662 0.327089} O2961 4445 0.0 -1 8 {} O 0.0 {0.836574 0.984114 0.500863} O2962 4446 0.0 -1 8 {} O 0.0 {0.826169 0.978909 0.335292} O2963 4447 0.0 -1 8 {} O 0.0 {0.837746 0.008794 0.490079} O2964 4448 0.0 -1 8 {} O 0.0 {0.842696 0.991106 0.418661} O2965 4449 0.0 -1 8 {} O 0.0 {0.832856 0.993274 0.401201} O2966 4450 0.0 -1 8 {} O 0.0 {0.832305 0.966797 0.565949} O2967 4451 0.0 -1 8 {} O 0.0 {0.822963 0.967406 0.607662} O2968 4452 0.0 -1 14 {} Si 0.0 {0.829151 0.968976 0.631904} Si1485 4453 0.0 -1 14 {} Si 0.0 {0.836666 0.967629 0.895771} Si1486 4454 0.0 -1 14 {} Si 0.0 {0.828384 0.994295 0.710584} Si1487 4455 0.0 -1 14 {} Si 0.0 {0.837426 0.9912 0.808204} Si1488 4456 0.0 -1 8 {} O 0.0 {0.832432 0.959183 0.676141} O2969 4457 0.0 -1 8 {} O 0.0 {0.836129 0.977694 0.842985} O2970 4458 0.0 -1 8 {} O 0.0 {0.830043 0.982707 0.667265} O2971 4459 0.0 -1 8 {} O 0.0 {0.838591 0.00272004 0.858443} O2972 4460 0.0 -1 8 {} O 0.0 {0.841922 0.988389 0.75764} O2973 4461 0.0 -1 8 {} O 0.0 {0.831883 0.994326 0.77131} O2974 4462 0.0 -1 8 {} O 0.0 {0.832436 0.969684 0.947679} O2975 4463 0.0 -1 8 {} O 0.0 {0.822982 0.966408 0.927618} O2976 4464 0.0 -1 14 {} Si 0.0 {0.827129 0.0179936 0.952028} Si1489 4465 0.0 -1 14 {} Si 0.0 {0.837981 0.0156651 0.222059} Si1490 4466 0.0 -1 14 {} Si 0.0 {0.828588 0.0425936 0.0400983} Si1491 4467 0.0 -1 14 {} Si 0.0 {0.837644 0.0408588 0.135207} Si1492 4468 0.0 -1 8 {} O 0.0 {0.828348 0.00560813 0.992799} O2977 4469 0.0 -1 8 {} O 0.0 {0.83789 0.0287454 0.179389} O2978 4470 0.0 -1 8 {} O 0.0 {0.82671 0.0304163 0.00072386} O2979 4471 0.0 -1 8 {} O 0.0 {0.835968 0.053845 0.169029} O2980 4472 0.0 -1 8 {} O 0.0 {0.8429 0.0442279 0.0982735} O2981 4473 0.0 -1 8 {} O 0.0 {0.833454 0.038596 0.0806404} O2982 4474 0.0 -1 8 {} O 0.0 {0.833386 0.0178122 0.271267} O2983 4475 0.0 -1 8 {} O 0.0 {0.824119 0.0240629 0.253642} O2984 4476 0.0 -1 14 {} Si 0.0 {0.82793 0.0190367 0.30869} Si1493 4477 0.0 -1 14 {} Si 0.0 {0.838658 0.0182282 0.548364} Si1494 4478 0.0 -1 14 {} Si 0.0 {0.828882 0.0430781 0.393518} Si1495 4479 0.0 -1 14 {} Si 0.0 {0.839793 0.0434073 0.471652} Si1496 4480 0.0 -1 8 {} O 0.0 {0.826343 0.00482983 0.332227} O2985 4481 0.0 -1 8 {} O 0.0 {0.840134 0.0327431 0.521745} O2986 4482 0.0 -1 8 {} O 0.0 {0.827654 0.0290607 0.363639} O2987 4483 0.0 -1 8 {} O 0.0 {0.839571 0.0575473 0.508148} O2988 4484 0.0 -1 8 {} O 0.0 {0.84416 0.0424174 0.418316} O2989 4485 0.0 -1 8 {} O 0.0 {0.834419 0.0417364 0.43365} O2990 4486 0.0 -1 8 {} O 0.0 {0.833097 0.0200688 0.585541} O2991 4487 0.0 -1 8 {} O 0.0 {0.823057 0.0155085 0.589349} O2992 4488 0.0 -1 14 {} Si 0.0 {0.828113 0.0200831 0.628018} Si1497 4489 0.0 -1 14 {} Si 0.0 {0.83785 0.0173749 0.881457} Si1498 4490 0.0 -1 14 {} Si 0.0 {0.827895 0.0444049 0.712094} Si1499 4491 0.0 -1 14 {} Si 0.0 {0.83831 0.0395543 0.786858} Si1500 4492 0.0 -1 8 {} O 0.0 {0.828906 0.00821819 0.675861} O2993 4493 0.0 -1 8 {} O 0.0 {0.839722 0.0282782 0.832924} O2994 4494 0.0 -1 8 {} O 0.0 {0.827553 0.0338587 0.657876} O2995 4495 0.0 -1 8 {} O 0.0 {0.839171 0.052842 0.822557} O2996 4496 0.0 -1 8 {} O 0.0 {0.842357 0.0399909 0.730203} O2997 4497 0.0 -1 8 {} O 0.0 {0.832445 0.0404644 0.761221} O2998 4498 0.0 -1 8 {} O 0.0 {0.832019 0.0204754 0.907417} O2999 4499 0.0 -1 8 {} O 0.0 {0.822216 0.0156025 0.907666} O3000 4500 0.0 -1 14 {} Si 0.0 {0.829496 0.0682908 0.957026} Si1501 4501 0.0 -1 14 {} Si 0.0 {0.837833 0.0651024 0.216083} Si1502 4502 0.0 -1 14 {} Si 0.0 {0.829444 0.0921812 0.0553166} Si1503 4503 0.0 -1 14 {} Si 0.0 {0.838704 0.0925543 0.149346} Si1504 4504 0.0 -1 8 {} O 0.0 {0.830118 0.0548555 0.996539} O3001 4505 0.0 -1 8 {} O 0.0 {0.839144 0.0774577 0.177327} O3002 4506 0.0 -1 8 {} O 0.0 {0.830152 0.0797727 0.00799768} O3003 4507 0.0 -1 8 {} O 0.0 {0.838592 0.10129 0.209574} O3004 4508 0.0 -1 8 {} O 0.0 {0.84392 0.0933402 0.109912} O3005 4509 0.0 -1 8 {} O 0.0 {0.833516 0.0929872 0.111187} O3006 4510 0.0 -1 8 {} O 0.0 {0.833689 0.0691934 0.266295} O3007 4511 0.0 -1 8 {} O 0.0 {0.823515 0.0634178 0.250392} O3008 4512 0.0 -1 14 {} Si 0.0 {0.828178 0.0663118 0.299269} Si1505 4513 0.0 -1 14 {} Si 0.0 {0.838837 0.0692284 0.552996} Si1506 4514 0.0 -1 14 {} Si 0.0 {0.82787 0.0915173 0.382444} Si1507 4515 0.0 -1 14 {} Si 0.0 {0.838248 0.0913828 0.456761} Si1508 4516 0.0 -1 8 {} O 0.0 {0.829055 0.0531998 0.336676} O3009 4517 0.0 -1 8 {} O 0.0 {0.839383 0.0816354 0.5128} O3010 4518 0.0 -1 8 {} O 0.0 {0.82704 0.0797703 0.338242} O3011 4519 0.0 -1 8 {} O 0.0 {0.837854 0.105855 0.483945} O3012 4520 0.0 -1 8 {} O 0.0 {0.84287 0.0897421 0.402737} O3013 4521 0.0 -1 8 {} O 0.0 {0.832642 0.0885491 0.428224} O3014 4522 0.0 -1 8 {} O 0.0 {0.833318 0.0680522 0.587806} O3015 4523 0.0 -1 8 {} O 0.0 {0.823147 0.0674672 0.591805} O3016 4524 0.0 -1 14 {} Si 0.0 {0.828464 0.0693688 0.633399} Si1509 4525 0.0 -1 14 {} Si 0.0 {0.839086 0.0649136 0.872498} Si1510 4526 0.0 -1 14 {} Si 0.0 {0.828702 0.092949 0.727707} Si1511 4527 0.0 -1 14 {} Si 0.0 {0.839092 0.0911153 0.804596} Si1512 4528 0.0 -1 8 {} O 0.0 {0.828211 0.058616 0.686552} O3017 4529 0.0 -1 8 {} O 0.0 {0.840455 0.0791731 0.850426} O3018 4530 0.0 -1 8 {} O 0.0 {0.828372 0.0833922 0.669686} O3019 4531 0.0 -1 8 {} O 0.0 {0.839365 0.10502 0.845144} O3020 4532 0.0 -1 8 {} O 0.0 {0.843304 0.0918064 0.749234} O3021 4533 0.0 -1 8 {} O 0.0 {0.83343 0.0898689 0.773959} O3022 4534 0.0 -1 8 {} O 0.0 {0.833507 0.0667604 0.899428} O3023 4535 0.0 -1 8 {} O 0.0 {0.823502 0.06789 0.940983} O3024 4536 0.0 -1 14 {} Si 0.0 {0.847108 0.96437 0.969142} Si1513 4537 0.0 -1 14 {} Si 0.0 {0.856837 0.963267 0.199699} Si1514 4538 0.0 -1 14 {} Si 0.0 {0.846665 0.988186 0.0554659} Si1515 4539 0.0 -1 14 {} Si 0.0 {0.856731 0.989551 0.132282} Si1516 4540 0.0 -1 8 {} O 0.0 {0.845042 0.951746 0.000992193} O3025 4541 0.0 -1 8 {} O 0.0 {0.855024 0.975981 0.165802} O3026 4542 0.0 -1 8 {} O 0.0 {0.847433 0.974413 0.0230851} O3027 4543 0.0 -1 8 {} O 0.0 {0.858398 0.999687 0.184677} O3028 4544 0.0 -1 8 {} O 0.0 {0.861843 0.988209 0.0866242} O3029 4545 0.0 -1 8 {} O 0.0 {0.852084 0.992833 0.0857475} O3030 4546 0.0 -1 8 {} O 0.0 {0.851902 0.959569 0.242798} O3031 4547 0.0 -1 8 {} O 0.0 {0.841672 0.964423 0.24014} O3032 4548 0.0 -1 14 {} Si 0.0 {0.846768 0.963746 0.285098} Si1517 4549 0.0 -1 14 {} Si 0.0 {0.857146 0.963123 0.556007} Si1518 4550 0.0 -1 14 {} Si 0.0 {0.84783 0.987223 0.380181} Si1519 4551 0.0 -1 14 {} Si 0.0 {0.857374 0.987461 0.47339} Si1520 4552 0.0 -1 8 {} O 0.0 {0.846129 0.949828 0.316458} O3033 4553 0.0 -1 8 {} O 0.0 {0.857385 0.97722 0.529733} O3034 4554 0.0 -1 8 {} O 0.0 {0.847363 0.974065 0.341529} O3035 4555 0.0 -1 8 {} O 0.0 {0.858622 0.000730735 0.505803} O3036 4556 0.0 -1 8 {} O 0.0 {0.861999 0.982944 0.430089} O3037 4557 0.0 -1 8 {} O 0.0 {0.852198 0.987024 0.432338} O3038 4558 0.0 -1 8 {} O 0.0 {0.851632 0.961902 0.592641} O3039 4559 0.0 -1 8 {} O 0.0 {0.842681 0.968107 0.559478} O3040 4560 0.0 -1 14 {} Si 0.0 {0.846091 0.966033 0.622419} Si1521 4561 0.0 -1 14 {} Si 0.0 {0.856791 0.963384 0.882105} Si1522 4562 0.0 -1 14 {} Si 0.0 {0.847053 0.98955 0.716362} Si1523 4563 0.0 -1 14 {} Si 0.0 {0.856931 0.988364 0.802555} Si1524 4564 0.0 -1 8 {} O 0.0 {0.842379 0.956197 0.658619} O3041 4565 0.0 -1 8 {} O 0.0 {0.854695 0.976487 0.845926} O3042 4566 0.0 -1 8 {} O 0.0 {0.846403 0.979137 0.663738} O3043 4567 0.0 -1 8 {} O 0.0 {0.856606 0.00103175 0.84382} O3044 4568 0.0 -1 8 {} O 0.0 {0.862635 0.98518 0.775252} O3045 4569 0.0 -1 8 {} O 0.0 {0.852735 0.988324 0.749363} O3046 4570 0.0 -1 8 {} O 0.0 {0.852054 0.959211 0.928486} O3047 4571 0.0 -1 8 {} O 0.0 {0.842568 0.967829 0.919638} O3048 4572 0.0 -1 14 {} Si 0.0 {0.847381 0.013948 0.975474} Si1525 4573 0.0 -1 14 {} Si 0.0 {0.858452 0.0133053 0.219766} Si1526 4574 0.0 -1 14 {} Si 0.0 {0.84761 0.0401323 0.0576551} Si1527 4575 0.0 -1 14 {} Si 0.0 {0.858127 0.037828 0.134866} Si1528 4576 0.0 -1 8 {} O 0.0 {0.846093 0.000411516 0.00755097} O3049 4577 0.0 -1 8 {} O 0.0 {0.85811 0.0236664 0.164597} O3050 4578 0.0 -1 8 {} O 0.0 {0.847398 0.0258626 0.0270233} O3051 4579 0.0 -1 8 {} O 0.0 {0.859353 0.0489989 0.185249} O3052 4580 0.0 -1 8 {} O 0.0 {0.862428 0.0393788 0.0820838} O3053 4581 0.0 -1 8 {} O 0.0 {0.852515 0.0399776 0.106062} O3054 4582 0.0 -1 8 {} O 0.0 {0.853369 0.0153913 0.261092} O3055 4583 0.0 -1 8 {} O 0.0 {0.843539 0.0132548 0.256344} O3056 4584 0.0 -1 14 {} Si 0.0 {0.848629 0.0124776 0.304188} Si1529 4585 0.0 -1 14 {} Si 0.0 {0.858811 0.0118871 0.56019} Si1530 4586 0.0 -1 14 {} Si 0.0 {0.849096 0.0378409 0.378985} Si1531 4587 0.0 -1 14 {} Si 0.0 {0.858874 0.036246 0.476694} Si1532 4588 0.0 -1 8 {} O 0.0 {0.849033 0.997781 0.327824} O3057 4589 0.0 -1 8 {} O 0.0 {0.858152 0.0258271 0.529241} O3058 4590 0.0 -1 8 {} O 0.0 {0.847959 0.0237886 0.35437} O3059 4591 0.0 -1 8 {} O 0.0 {0.859241 0.0505544 0.507767} O3060 4592 0.0 -1 8 {} O 0.0 {0.863766 0.0323904 0.43531} O3061 4593 0.0 -1 8 {} O 0.0 {0.853826 0.0373352 0.431492} O3062 4594 0.0 -1 8 {} O 0.0 {0.85352 0.00995969 0.601078} O3063 4595 0.0 -1 8 {} O 0.0 {0.843633 0.0137628 0.588559} O3064 4596 0.0 -1 14 {} Si 0.0 {0.848395 0.0140141 0.637033} Si1533 4597 0.0 -1 14 {} Si 0.0 {0.857152 0.0127919 0.89048} Si1534 4598 0.0 -1 14 {} Si 0.0 {0.848273 0.0407068 0.708192} Si1535 4599 0.0 -1 14 {} Si 0.0 {0.856961 0.0394642 0.814005} Si1536 4600 0.0 -1 8 {} O 0.0 {0.846604 0.00390771 0.688258} O3065 4601 0.0 -1 8 {} O 0.0 {0.857343 0.0245082 0.84137} O3066 4602 0.0 -1 8 {} O 0.0 {0.849161 0.0276829 0.671281} O3067 4603 0.0 -1 8 {} O 0.0 {0.856696 0.0499534 0.867367} O3068 4604 0.0 -1 8 {} O 0.0 {0.862461 0.0400971 0.779913} O3069 4605 0.0 -1 8 {} O 0.0 {0.852503 0.0410566 0.764772} O3070 4606 0.0 -1 8 {} O 0.0 {0.852542 0.0143937 0.936095} O3071 4607 0.0 -1 8 {} O 0.0 {0.842163 0.0183493 0.93494} O3072 4608 0.0 -1 14 {} Si 0.0 {0.847979 0.0650094 0.97376} Si1537 4609 0.0 -1 14 {} Si 0.0 {0.859201 0.06296 0.214487} Si1538 4610 0.0 -1 14 {} Si 0.0 {0.84827 0.0889612 0.0621365} Si1539 4611 0.0 -1 14 {} Si 0.0 {0.858716 0.0887796 0.143448} Si1540 4612 0.0 -1 8 {} O 0.0 {0.848524 0.0503846 0.00360852} O3073 4613 0.0 -1 8 {} O 0.0 {0.860308 0.0742452 0.167488} O3074 4614 0.0 -1 8 {} O 0.0 {0.846661 0.0763803 0.0225674} O3075 4615 0.0 -1 8 {} O 0.0 {0.857722 0.0981411 0.205692} O3076 4616 0.0 -1 8 {} O 0.0 {0.86368 0.0938119 0.103148} O3077 4617 0.0 -1 8 {} O 0.0 {0.853648 0.087154 0.0990777} O3078 4618 0.0 -1 8 {} O 0.0 {0.853424 0.0647064 0.247848} O3079 4619 0.0 -1 8 {} O 0.0 {0.843145 0.0605474 0.249697} O3080 4620 0.0 -1 14 {} Si 0.0 {0.848356 0.061215 0.290479} Si1541 4621 0.0 -1 14 {} Si 0.0 {0.858789 0.0642627 0.544915} Si1542 4622 0.0 -1 14 {} Si 0.0 {0.8482 0.0855487 0.373329} Si1543 4623 0.0 -1 14 {} Si 0.0 {0.858691 0.0873926 0.452043} Si1544 4624 0.0 -1 8 {} O 0.0 {0.84974 0.0475778 0.321909} O3081 4625 0.0 -1 8 {} O 0.0 {0.859723 0.0764569 0.500424} O3082 4626 0.0 -1 8 {} O 0.0 {0.847748 0.0712799 0.343844} O3083 4627 0.0 -1 8 {} O 0.0 {0.859051 0.100396 0.494106} O3084 4628 0.0 -1 8 {} O 0.0 {0.863364 0.086684 0.402173} O3085 4629 0.0 -1 8 {} O 0.0 {0.852903 0.0876938 0.420733} O3086 4630 0.0 -1 8 {} O 0.0 {0.85337 0.0677536 0.580551} O3087 4631 0.0 -1 8 {} O 0.0 {0.843119 0.0696219 0.608553} O3088 4632 0.0 -1 14 {} Si 0.0 {0.848942 0.066623 0.631813} Si1545 4633 0.0 -1 14 {} Si 0.0 {0.857958 0.0638479 0.895692} Si1546 4634 0.0 -1 14 {} Si 0.0 {0.849247 0.0908077 0.724594} Si1547 4635 0.0 -1 14 {} Si 0.0 {0.858464 0.089847 0.820604} Si1548 4636 0.0 -1 8 {} O 0.0 {0.849411 0.0524148 0.663394} O3089 4637 0.0 -1 8 {} O 0.0 {0.857671 0.0755816 0.845351} O3090 4638 0.0 -1 8 {} O 0.0 {0.850071 0.0782906 0.679397} O3091 4639 0.0 -1 8 {} O 0.0 {0.858414 0.0988773 0.879369} O3092 4640 0.0 -1 8 {} O 0.0 {0.863922 0.0910074 0.784612} O3093 4641 0.0 -1 8 {} O 0.0 {0.853642 0.0930054 0.775419} O3094 4642 0.0 -1 8 {} O 0.0 {0.853339 0.0683954 0.94081} O3095 4643 0.0 -1 8 {} O 0.0 {0.843076 0.062567 0.929469} O3096 4644 0.0 -1 14 {} Si 0.0 {0.867301 0.969624 0.95601} Si1549 4645 0.0 -1 14 {} Si 0.0 {0.877224 0.961074 0.207924} Si1550 4646 0.0 -1 14 {} Si 0.0 {0.867365 0.992346 0.0530388} Si1551 4647 0.0 -1 14 {} Si 0.0 {0.877746 0.986548 0.132853} Si1552 4648 0.0 -1 8 {} O 0.0 {0.866202 0.956825 0.997754} O3097 4649 0.0 -1 8 {} O 0.0 {0.877877 0.971876 0.155535} O3098 4650 0.0 -1 8 {} O 0.0 {0.868005 0.981362 0.00184003} O3099 4651 0.0 -1 8 {} O 0.0 {0.879369 0.997055 0.184073} O3100 4652 0.0 -1 8 {} O 0.0 {0.882407 0.987725 0.0809315} O3101 4653 0.0 -1 8 {} O 0.0 {0.872307 0.989651 0.100187} O3102 4654 0.0 -1 8 {} O 0.0 {0.871354 0.962467 0.239658} O3103 4655 0.0 -1 8 {} O 0.0 {0.861621 0.965947 0.245497} O3104 4656 0.0 -1 14 {} Si 0.0 {0.866804 0.964969 0.28597} Si1553 4657 0.0 -1 14 {} Si 0.0 {0.877024 0.962075 0.540006} Si1554 4658 0.0 -1 14 {} Si 0.0 {0.867083 0.987017 0.39098} Si1555 4659 0.0 -1 14 {} Si 0.0 {0.877111 0.989547 0.478775} Si1556 4660 0.0 -1 8 {} O 0.0 {0.866304 0.950939 0.313335} O3105 4661 0.0 -1 8 {} O 0.0 {0.878476 0.976552 0.522035} O3106 4662 0.0 -1 8 {} O 0.0 {0.867087 0.976508 0.335676} O3107 4663 0.0 -1 8 {} O 0.0 {0.876595 0.00198102 0.523042} O3108 4664 0.0 -1 8 {} O 0.0 {0.882679 0.990285 0.439727} O3109 4665 0.0 -1 8 {} O 0.0 {0.872147 0.986221 0.436905} O3110 4666 0.0 -1 8 {} O 0.0 {0.871488 0.962693 0.571457} O3111 4667 0.0 -1 8 {} O 0.0 {0.861823 0.961292 0.60484} O3112 4668 0.0 -1 14 {} Si 0.0 {0.867477 0.964814 0.628882} Si1557 4669 0.0 -1 14 {} Si 0.0 {0.87793 0.961467 0.891107} Si1558 4670 0.0 -1 14 {} Si 0.0 {0.867611 0.986353 0.728528} Si1559 4671 0.0 -1 14 {} Si 0.0 {0.877778 0.98531 0.803709} Si1560 4672 0.0 -1 8 {} O 0.0 {0.869512 0.954017 0.681717} O3113 4673 0.0 -1 8 {} O 0.0 {0.879039 0.974552 0.852961} O3114 4674 0.0 -1 8 {} O 0.0 {0.867499 0.977806 0.668277} O3115 4675 0.0 -1 8 {} O 0.0 {0.877526 0.999813 0.830393} O3116 4676 0.0 -1 8 {} O 0.0 {0.882537 0.98402 0.75278} O3117 4677 0.0 -1 8 {} O 0.0 {0.872459 0.982175 0.769669} O3118 4678 0.0 -1 8 {} O 0.0 {0.872237 0.963502 0.920391} O3119 4679 0.0 -1 8 {} O 0.0 {0.861218 0.968266 0.928101} O3120 4680 0.0 -1 14 {} Si 0.0 {0.868205 0.0160826 0.961221} Si1561 4681 0.0 -1 14 {} Si 0.0 {0.877979 0.00979725 0.222391} Si1562 4682 0.0 -1 14 {} Si 0.0 {0.86802 0.0406797 0.0514262} Si1563 4683 0.0 -1 14 {} Si 0.0 {0.877453 0.0355104 0.141359} Si1564 4684 0.0 -1 8 {} O 0.0 {0.867683 0.00647155 0.0197334} O3121 4685 0.0 -1 8 {} O 0.0 {0.876878 0.0219961 0.174081} O3122 4686 0.0 -1 8 {} O 0.0 {0.869447 0.0298931 0.999483} O3123 4687 0.0 -1 8 {} O 0.0 {0.878905 0.0463719 0.190047} O3124 4688 0.0 -1 8 {} O 0.0 {0.882177 0.0354778 0.0933209} O3125 4689 0.0 -1 8 {} O 0.0 {0.872087 0.038486 0.105408} O3126 4690 0.0 -1 8 {} O 0.0 {0.873145 0.00753439 0.269865} O3127 4691 0.0 -1 8 {} O 0.0 {0.863772 0.0145642 0.259244} O3128 4692 0.0 -1 14 {} Si 0.0 {0.868121 0.0114071 0.31009} Si1565 4693 0.0 -1 14 {} Si 0.0 {0.878026 0.0142293 0.565425} Si1566 4694 0.0 -1 14 {} Si 0.0 {0.868749 0.0369962 0.392129} Si1567 4695 0.0 -1 14 {} Si 0.0 {0.878437 0.0383723 0.481812} Si1568 4696 0.0 -1 8 {} O 0.0 {0.86648 0.000640243 0.360393} O3129 4697 0.0 -1 8 {} O 0.0 {0.87677 0.0267979 0.529869} O3130 4698 0.0 -1 8 {} O 0.0 {0.869086 0.0251202 0.34226} O3131 4699 0.0 -1 8 {} O 0.0 {0.878163 0.0524463 0.514791} O3132 4700 0.0 -1 8 {} O 0.0 {0.883904 0.035884 0.453751} O3133 4701 0.0 -1 8 {} O 0.0 {0.873704 0.0386715 0.434403} O3134 4702 0.0 -1 8 {} O 0.0 {0.873604 0.0126219 0.619657} O3135 4703 0.0 -1 8 {} O 0.0 {0.863885 0.00989922 0.602184} O3136 4704 0.0 -1 14 {} Si 0.0 {0.867956 0.0128345 0.6572} Si1569 4705 0.0 -1 14 {} Si 0.0 {0.878339 0.012251 0.884702} Si1570 4706 0.0 -1 14 {} Si 0.0 {0.867673 0.0379785 0.73541} Si1571 4707 0.0 -1 14 {} Si 0.0 {0.87844 0.0379629 0.809809} Si1572 4708 0.0 -1 8 {} O 0.0 {0.867827 0.00128412 0.708131} O3137 4709 0.0 -1 8 {} O 0.0 {0.878815 0.026643 0.860551} O3138 4710 0.0 -1 8 {} O 0.0 {0.866871 0.0262222 0.690684} O3139 4711 0.0 -1 8 {} O 0.0 {0.878893 0.0511576 0.852171} O3140 4712 0.0 -1 8 {} O 0.0 {0.883302 0.0380184 0.763414} O3141 4713 0.0 -1 8 {} O 0.0 {0.873012 0.0358694 0.774919} O3142 4714 0.0 -1 8 {} O 0.0 {0.872991 0.011323 0.92163} O3143 4715 0.0 -1 8 {} O 0.0 {0.862707 0.0138741 0.924912} O3144 4716 0.0 -1 14 {} Si 0.0 {0.868626 0.0661591 0.974202} Si1573 4717 0.0 -1 14 {} Si 0.0 {0.878207 0.0597763 0.223985} Si1574 4718 0.0 -1 14 {} Si 0.0 {0.868618 0.0902553 0.0607918} Si1575 4719 0.0 -1 14 {} Si 0.0 {0.877889 0.0857552 0.151965} Si1576 4720 0.0 -1 8 {} O 0.0 {0.869092 0.0547647 0.0234944} O3145 4721 0.0 -1 8 {} O 0.0 {0.877401 0.0721145 0.181313} O3146 4722 0.0 -1 8 {} O 0.0 {0.867914 0.0805668 0.00292537} O3147 4723 0.0 -1 8 {} O 0.0 {0.876905 0.0983904 0.197448} O3148 4724 0.0 -1 8 {} O 0.0 {0.883793 0.0867292 0.129766} O3149 4725 0.0 -1 8 {} O 0.0 {0.874309 0.0881822 0.0920857} O3150 4726 0.0 -1 8 {} O 0.0 {0.872846 0.0569748 0.268365} O3151 4727 0.0 -1 8 {} O 0.0 {0.863285 0.06573 0.26945} O3152 4728 0.0 -1 14 {} Si 0.0 {0.867989 0.0611777 0.31086} Si1577 4729 0.0 -1 14 {} Si 0.0 {0.878716 0.0639377 0.567089} Si1578 4730 0.0 -1 14 {} Si 0.0 {0.869456 0.0856659 0.389833} Si1579 4731 0.0 -1 14 {} Si 0.0 {0.878446 0.0882248 0.483205} Si1580 4732 0.0 -1 8 {} O 0.0 {0.866668 0.049383 0.353724} O3153 4733 0.0 -1 8 {} O 0.0 {0.879797 0.077353 0.534283} O3154 4734 0.0 -1 8 {} O 0.0 {0.870431 0.0732676 0.348065} O3155 4735 0.0 -1 8 {} O 0.0 {0.878001 0.102204 0.521838} O3156 4736 0.0 -1 8 {} O 0.0 {0.882869 0.089936 0.431709} O3157 4737 0.0 -1 8 {} O 0.0 {0.872631 0.0873742 0.452194} O3158 4738 0.0 -1 8 {} O 0.0 {0.873442 0.066425 0.605596} O3159 4739 0.0 -1 8 {} O 0.0 {0.863406 0.0634444 0.595362} O3160 4740 0.0 -1 14 {} Si 0.0 {0.86813 0.0623938 0.643531} Si1581 4741 0.0 -1 14 {} Si 0.0 {0.87914 0.0637802 0.894976} Si1582 4742 0.0 -1 14 {} Si 0.0 {0.868379 0.0868172 0.739239} Si1583 4743 0.0 -1 14 {} Si 0.0 {0.879241 0.08727 0.802947} Si1584 4744 0.0 -1 8 {} O 0.0 {0.868556 0.050115 0.688918} O3161 4745 0.0 -1 8 {} O 0.0 {0.880467 0.0771551 0.859476} O3162 4746 0.0 -1 8 {} O 0.0 {0.867038 0.0730375 0.696251} O3163 4747 0.0 -1 8 {} O 0.0 {0.879291 0.101337 0.832203} O3164 4748 0.0 -1 8 {} O 0.0 {0.883313 0.0850471 0.746488} O3165 4749 0.0 -1 8 {} O 0.0 {0.873574 0.0832443 0.772891} O3166 4750 0.0 -1 8 {} O 0.0 {0.873587 0.064307 0.932064} O3167 4751 0.0 -1 8 {} O 0.0 {0.863751 0.0643261 0.932444} O3168 4752 0.0 -1 14 {} Si 0.0 {0.888215 0.963288 0.969359} Si1585 4753 0.0 -1 14 {} Si 0.0 {0.898353 0.958362 0.231147} Si1586 4754 0.0 -1 14 {} Si 0.0 {0.888481 0.987334 0.0611446} Si1587 4755 0.0 -1 14 {} Si 0.0 {0.897825 0.984846 0.15047} Si1588 4756 0.0 -1 8 {} O 0.0 {0.888811 0.951237 0.0144939} O3169 4757 0.0 -1 8 {} O 0.0 {0.897215 0.970093 0.183678} O3170 4758 0.0 -1 8 {} O 0.0 {0.889278 0.975447 0.0148093} O3171 4759 0.0 -1 8 {} O 0.0 {0.898001 0.995417 0.204848} O3172 4760 0.0 -1 8 {} O 0.0 {0.902689 0.984881 0.10462} O3173 4761 0.0 -1 8 {} O 0.0 {0.892269 0.986397 0.118308} O3174 4762 0.0 -1 8 {} O 0.0 {0.894374 0.957997 0.277924} O3175 4763 0.0 -1 8 {} O 0.0 {0.881957 0.964966 0.253443} O3176 4764 0.0 -1 14 {} Si 0.0 {0.885823 0.963865 0.315697} Si1589 4765 0.0 -1 14 {} Si 0.0 {0.897464 0.960568 0.551562} Si1590 4766 0.0 -1 14 {} Si 0.0 {0.887389 0.989978 0.390509} Si1591 4767 0.0 -1 14 {} Si 0.0 {0.897071 0.986667 0.480932} Si1592 4768 0.0 -1 8 {} O 0.0 {0.882351 0.956536 0.354123} O3177 4769 0.0 -1 8 {} O 0.0 {0.89626 0.974798 0.526075} O3178 4770 0.0 -1 8 {} O 0.0 {0.886278 0.978186 0.34548} O3179 4771 0.0 -1 8 {} O 0.0 {0.897738 0.999389 0.52285} O3180 4772 0.0 -1 8 {} O 0.0 {0.902286 0.984058 0.439122} O3181 4773 0.0 -1 8 {} O 0.0 {0.892578 0.987235 0.428683} O3182 4774 0.0 -1 8 {} O 0.0 {0.892208 0.956886 0.588003} O3183 4775 0.0 -1 8 {} O 0.0 {0.880898 0.956849 0.590835} O3184 4776 0.0 -1 14 {} Si 0.0 {0.886833 0.959563 0.628588} Si1593 4777 0.0 -1 14 {} Si 0.0 {0.897514 0.960928 0.87418} Si1594 4778 0.0 -1 14 {} Si 0.0 {0.887698 0.984479 0.710836} Si1595 4779 0.0 -1 14 {} Si 0.0 {0.897689 0.986138 0.796138} Si1596 4780 0.0 -1 8 {} O 0.0 {0.885989 0.946534 0.668402} O3185 4781 0.0 -1 8 {} O 0.0 {0.896107 0.973545 0.837156} O3186 4782 0.0 -1 8 {} O 0.0 {0.88778 0.970729 0.681522} O3187 4783 0.0 -1 8 {} O 0.0 {0.898493 0.999808 0.836777} O3188 4784 0.0 -1 8 {} O 0.0 {0.903038 0.982776 0.757551} O3189 4785 0.0 -1 8 {} O 0.0 {0.89248 0.987932 0.75529} O3190 4786 0.0 -1 8 {} O 0.0 {0.892924 0.959206 0.923952} O3191 4787 0.0 -1 8 {} O 0.0 {0.882403 0.96099 0.941129} O3192 4788 0.0 -1 14 {} Si 0.0 {0.888561 0.0109043 0.96652} Si1597 4789 0.0 -1 14 {} Si 0.0 {0.898131 0.0100672 0.226292} Si1598 4790 0.0 -1 14 {} Si 0.0 {0.887445 0.0342481 0.0549907} Si1599 4791 0.0 -1 14 {} Si 0.0 {0.89776 0.0333312 0.136584} Si1600 4792 0.0 -1 8 {} O 0.0 {0.889051 0.000695451 0.0226735} O3193 4793 0.0 -1 8 {} O 0.0 {0.898768 0.0194188 0.165802} O3194 4794 0.0 -1 8 {} O 0.0 {0.888053 0.0244843 0.996601} O3195 4795 0.0 -1 8 {} O 0.0 {0.898219 0.0439005 0.193375} O3196 4796 0.0 -1 8 {} O 0.0 {0.901559 0.0373815 0.0808665} O3197 4797 0.0 -1 8 {} O 0.0 {0.891983 0.0316554 0.106002} O3198 4798 0.0 -1 8 {} O 0.0 {0.893092 0.0129306 0.268434} O3199 4799 0.0 -1 8 {} O 0.0 {0.882921 0.0128616 0.264019} O3200 4800 0.0 -1 14 {} Si 0.0 {0.888022 0.0153903 0.309749} Si1601 4801 0.0 -1 14 {} Si 0.0 {0.898416 0.0125429 0.560554} Si1602 4802 0.0 -1 14 {} Si 0.0 {0.888295 0.0379961 0.401849} Si1603 4803 0.0 -1 14 {} Si 0.0 {0.898969 0.036704 0.476554} Si1604 4804 0.0 -1 8 {} O 0.0 {0.887059 0.00453704 0.359223} O3201 4805 0.0 -1 8 {} O 0.0 {0.897114 0.0255222 0.521698} O3202 4806 0.0 -1 8 {} O 0.0 {0.888006 0.0291557 0.340547} O3203 4807 0.0 -1 8 {} O 0.0 {0.899902 0.0515372 0.505008} O3204 4808 0.0 -1 8 {} O 0.0 {0.904247 0.0330871 0.438895} O3205 4809 0.0 -1 8 {} O 0.0 {0.894101 0.0374594 0.428009} O3206 4810 0.0 -1 8 {} O 0.0 {0.894139 0.0117819 0.614266} O3207 4811 0.0 -1 8 {} O 0.0 {0.883812 0.0157447 0.591747} O3208 4812 0.0 -1 14 {} Si 0.0 {0.888265 0.011589 0.642613} Si1605 4813 0.0 -1 14 {} Si 0.0 {0.898571 0.0120147 0.882373} Si1606 4814 0.0 -1 14 {} Si 0.0 {0.888847 0.0358551 0.727725} Si1607 4815 0.0 -1 14 {} Si 0.0 {0.898597 0.0379054 0.809254} Si1608 4816 0.0 -1 8 {} O 0.0 {0.887468 0.996416 0.658786} O3209 4817 0.0 -1 8 {} O 0.0 {0.899805 0.0247102 0.844693} O3210 4818 0.0 -1 8 {} O 0.0 {0.888469 0.0221567 0.696414} O3211 4819 0.0 -1 8 {} O 0.0 {0.899201 0.0508974 0.856504} O3212 4820 0.0 -1 8 {} O 0.0 {0.903125 0.0401748 0.758812} O3213 4821 0.0 -1 8 {} O 0.0 {0.892992 0.037978 0.780999} O3214 4822 0.0 -1 8 {} O 0.0 {0.893217 0.0111402 0.916919} O3215 4823 0.0 -1 8 {} O 0.0 {0.883473 0.00824244 0.925787} O3216 4824 0.0 -1 14 {} Si 0.0 {0.888421 0.0619142 0.986236} Si1609 4825 0.0 -1 14 {} Si 0.0 {0.898678 0.0558145 0.240863} Si1610 4826 0.0 -1 14 {} Si 0.0 {0.889 0.0847079 0.0878116} Si1611 4827 0.0 -1 14 {} Si 0.0 {0.899491 0.0811036 0.158163} Si1612 4828 0.0 -1 8 {} O 0.0 {0.888763 0.0484314 0.029559} O3217 4829 0.0 -1 8 {} O 0.0 {0.900349 0.0682672 0.201019} O3218 4830 0.0 -1 8 {} O 0.0 {0.888675 0.0740397 0.0301675} O3219 4831 0.0 -1 8 {} O 0.0 {0.89957 0.0935063 0.208883} O3220 4832 0.0 -1 8 {} O 0.0 {0.903126 0.0857458 0.102842} O3221 4833 0.0 -1 8 {} O 0.0 {0.893789 0.0796083 0.128063} O3222 4834 0.0 -1 8 {} O 0.0 {0.893554 0.0595242 0.278165} O3223 4835 0.0 -1 8 {} O 0.0 {0.883297 0.0620701 0.272751} O3224 4836 0.0 -1 14 {} Si 0.0 {0.888065 0.062734 0.315864} Si1613 4837 0.0 -1 14 {} Si 0.0 {0.898995 0.0624782 0.554493} Si1614 4838 0.0 -1 14 {} Si 0.0 {0.888266 0.0886892 0.389647} Si1615 4839 0.0 -1 14 {} Si 0.0 {0.89805 0.0881 0.475068} Si1616 4840 0.0 -1 8 {} O 0.0 {0.887907 0.0519939 0.372612} O3225 4841 0.0 -1 8 {} O 0.0 {0.899144 0.0765137 0.524023} O3226 4842 0.0 -1 8 {} O 0.0 {0.888695 0.0778665 0.338318} O3227 4843 0.0 -1 8 {} O 0.0 {0.896886 0.102283 0.507527} O3228 4844 0.0 -1 8 {} O 0.0 {0.902755 0.089879 0.430669} O3229 4845 0.0 -1 8 {} O 0.0 {0.892817 0.0855873 0.439165} O3230 4846 0.0 -1 8 {} O 0.0 {0.89321 0.0591859 0.58006} O3231 4847 0.0 -1 8 {} O 0.0 {0.883796 0.0598214 0.604444} O3232 4848 0.0 -1 14 {} Si 0.0 {0.889477 0.0590856 0.638551} Si1617 4849 0.0 -1 14 {} Si 0.0 {0.898338 0.0630131 0.902844} Si1618 4850 0.0 -1 14 {} Si 0.0 {0.889047 0.084558 0.720294} Si1619 4851 0.0 -1 14 {} Si 0.0 {0.89851 0.0872052 0.81492} Si1620 4852 0.0 -1 8 {} O 0.0 {0.889847 0.0463016 0.676638} O3233 4853 0.0 -1 8 {} O 0.0 {0.899473 0.0741605 0.853661} O3234 4854 0.0 -1 8 {} O 0.0 {0.890432 0.0722798 0.677239} O3235 4855 0.0 -1 8 {} O 0.0 {0.897055 0.0975852 0.86678} O3236 4856 0.0 -1 8 {} O 0.0 {0.903411 0.0924376 0.773805} O3237 4857 0.0 -1 8 {} O 0.0 {0.893381 0.087118 0.774142} O3238 4858 0.0 -1 8 {} O 0.0 {0.892807 0.0629698 0.934654} O3239 4859 0.0 -1 8 {} O 0.0 {0.883155 0.0594569 0.950524} O3240 4860 0.0 -1 14 {} Si 0.0 {0.907177 0.962228 0.965796} Si1621 4861 0.0 -1 14 {} Si 0.0 {0.918418 0.958966 0.225244} Si1622 4862 0.0 -1 14 {} Si 0.0 {0.907773 0.985788 0.0596385} Si1623 4863 0.0 -1 14 {} Si 0.0 {0.91824 0.982968 0.141239} Si1624 4864 0.0 -1 8 {} O 0.0 {0.907327 0.949328 0.00869087} O3241 4865 0.0 -1 8 {} O 0.0 {0.91808 0.968948 0.169362} O3242 4866 0.0 -1 8 {} O 0.0 {0.907851 0.974462 0.00991218} O3243 4867 0.0 -1 8 {} O 0.0 {0.9186 0.993472 0.193104} O3244 4868 0.0 -1 8 {} O 0.0 {0.922616 0.983096 0.0914277} O3245 4869 0.0 -1 8 {} O 0.0 {0.91284 0.98436 0.103018} O3246 4870 0.0 -1 8 {} O 0.0 {0.914162 0.962059 0.27567} O3247 4871 0.0 -1 8 {} O 0.0 {0.904328 0.957931 0.260327} O3248 4872 0.0 -1 14 {} Si 0.0 {0.908576 0.962884 0.308881} Si1625 4873 0.0 -1 14 {} Si 0.0 {0.918511 0.960624 0.542644} Si1626 4874 0.0 -1 14 {} Si 0.0 {0.907149 0.986515 0.396401} Si1627 4875 0.0 -1 14 {} Si 0.0 {0.917584 0.986459 0.470254} Si1628 4876 0.0 -1 8 {} O 0.0 {0.909366 0.952311 0.358655} O3249 4877 0.0 -1 8 {} O 0.0 {0.919306 0.975394 0.515628} O3250 4878 0.0 -1 8 {} O 0.0 {0.906887 0.976177 0.339647} O3251 4879 0.0 -1 8 {} O 0.0 {0.917618 0.999123 0.515989} O3252 4880 0.0 -1 8 {} O 0.0 {0.92254 0.987648 0.42064} O3253 4881 0.0 -1 8 {} O 0.0 {0.912307 0.983782 0.437143} O3254 4882 0.0 -1 8 {} O 0.0 {0.91323 0.961471 0.578601} O3255 4883 0.0 -1 8 {} O 0.0 {0.902341 0.962438 0.599169} O3256 4884 0.0 -1 14 {} Si 0.0 {0.908208 0.965359 0.623442} Si1629 4885 0.0 -1 14 {} Si 0.0 {0.917318 0.960505 0.882196} Si1630 4886 0.0 -1 14 {} Si 0.0 {0.907962 0.988208 0.723619} Si1631 4887 0.0 -1 14 {} Si 0.0 {0.917724 0.986742 0.813212} Si1632 4888 0.0 -1 8 {} O 0.0 {0.908646 0.954916 0.675686} O3257 4889 0.0 -1 8 {} O 0.0 {0.915999 0.97456 0.850994} O3258 4890 0.0 -1 8 {} O 0.0 {0.909008 0.977929 0.668352} O3259 4891 0.0 -1 8 {} O 0.0 {0.919258 0.99973 0.849233} O3260 4892 0.0 -1 8 {} O 0.0 {0.922754 0.981699 0.775991} O3261 4893 0.0 -1 8 {} O 0.0 {0.912918 0.989558 0.766944} O3262 4894 0.0 -1 8 {} O 0.0 {0.912438 0.956926 0.930059} O3263 4895 0.0 -1 8 {} O 0.0 {0.902753 0.964374 0.913511} O3264 4896 0.0 -1 14 {} Si 0.0 {0.907776 0.0102713 0.978628} Si1633 4897 0.0 -1 14 {} Si 0.0 {0.917535 0.00666612 0.231297} Si1634 4898 0.0 -1 14 {} Si 0.0 {0.907356 0.0358428 0.051987} Si1635 4899 0.0 -1 14 {} Si 0.0 {0.916617 0.0318668 0.147184} Si1636 4900 0.0 -1 8 {} O 0.0 {0.908069 0.000106486 0.0327224} O3265 4901 0.0 -1 8 {} O 0.0 {0.917023 0.0179309 0.181274} O3266 4902 0.0 -1 8 {} O 0.0 {0.907883 0.0249578 0.00187006} O3267 4903 0.0 -1 8 {} O 0.0 {0.917544 0.0416504 0.20244} O3268 4904 0.0 -1 8 {} O 0.0 {0.921287 0.0326332 0.0997247} O3269 4905 0.0 -1 8 {} O 0.0 {0.911525 0.0354748 0.106335} O3270 4906 0.0 -1 8 {} O 0.0 {0.912605 0.00416731 0.275971} O3271 4907 0.0 -1 8 {} O 0.0 {0.903123 0.0121147 0.268473} O3272 4908 0.0 -1 14 {} Si 0.0 {0.908069 0.0107144 0.315819} Si1637 4909 0.0 -1 14 {} Si 0.0 {0.918527 0.00977228 0.568977} Si1638 4910 0.0 -1 14 {} Si 0.0 {0.909538 0.0350197 0.397846} Si1639 4911 0.0 -1 14 {} Si 0.0 {0.918743 0.0341896 0.487761} Si1640 4912 0.0 -1 8 {} O 0.0 {0.906909 0.000818244 0.369257} O3273 4913 0.0 -1 8 {} O 0.0 {0.918699 0.0241841 0.542106} O3274 4914 0.0 -1 8 {} O 0.0 {0.909914 0.0256048 0.338353} O3275 4915 0.0 -1 8 {} O 0.0 {0.917745 0.0477796 0.52356} O3276 4916 0.0 -1 8 {} O 0.0 {0.924179 0.0354293 0.450137} O3277 4917 0.0 -1 8 {} O 0.0 {0.914317 0.0309823 0.438003} O3278 4918 0.0 -1 8 {} O 0.0 {0.913759 0.00912163 0.616264} O3279 4919 0.0 -1 8 {} O 0.0 {0.90417 0.0142593 0.590069} O3280 4920 0.0 -1 14 {} Si 0.0 {0.908404 0.01289 0.643906} Si1641 4921 0.0 -1 14 {} Si 0.0 {0.918489 0.0101338 0.90116} Si1642 4922 0.0 -1 14 {} Si 0.0 {0.90878 0.0384202 0.72961} Si1643 4923 0.0 -1 14 {} Si 0.0 {0.918094 0.0360191 0.818869} Si1644 4924 0.0 -1 8 {} O 0.0 {0.907213 0.00215899 0.696783} O3281 4925 0.0 -1 8 {} O 0.0 {0.918146 0.0248101 0.870726} O3282 4926 0.0 -1 8 {} O 0.0 {0.908949 0.0270069 0.679172} O3283 4927 0.0 -1 8 {} O 0.0 {0.919234 0.0502652 0.842825} O3284 4928 0.0 -1 8 {} O 0.0 {0.922853 0.0322483 0.771632} O3285 4929 0.0 -1 8 {} O 0.0 {0.912858 0.0346304 0.782873} O3286 4930 0.0 -1 8 {} O 0.0 {0.912703 0.00772046 0.934868} O3287 4931 0.0 -1 8 {} O 0.0 {0.902729 0.00798827 0.936439} O3288 4932 0.0 -1 14 {} Si 0.0 {0.908568 0.0623219 0.977673} Si1645 4933 0.0 -1 14 {} Si 0.0 {0.917816 0.055548 0.233793} Si1646 4934 0.0 -1 14 {} Si 0.0 {0.908625 0.0876216 0.0678709} Si1647 4935 0.0 -1 14 {} Si 0.0 {0.918621 0.0807071 0.144269} Si1648 4936 0.0 -1 8 {} O 0.0 {0.908666 0.0503222 0.0247047} O3289 4937 0.0 -1 8 {} O 0.0 {0.918328 0.0665289 0.178654} O3290 4938 0.0 -1 8 {} O 0.0 {0.909572 0.0766091 0.0144108} O3291 4939 0.0 -1 8 {} O 0.0 {0.92095 0.0892814 0.199826} O3292 4940 0.0 -1 8 {} O 0.0 {0.922817 0.0815864 0.0881604} O3293 4941 0.0 -1 8 {} O 0.0 {0.91298 0.0854866 0.120892} O3294 4942 0.0 -1 8 {} O 0.0 {0.913402 0.0611473 0.278385} O3295 4943 0.0 -1 8 {} O 0.0 {0.904091 0.0537944 0.280846} O3296 4944 0.0 -1 14 {} Si 0.0 {0.908387 0.0601584 0.321839} Si1649 4945 0.0 -1 14 {} Si 0.0 {0.917343 0.0620548 0.553137} Si1650 4946 0.0 -1 14 {} Si 0.0 {0.907832 0.0877175 0.390923} Si1651 4947 0.0 -1 14 {} Si 0.0 {0.917827 0.0865095 0.470496} Si1652 4948 0.0 -1 8 {} O 0.0 {0.909603 0.0493409 0.375684} O3297 4949 0.0 -1 8 {} O 0.0 {0.916951 0.0721778 0.49793} O3298 4950 0.0 -1 8 {} O 0.0 {0.907362 0.0744941 0.351321} O3299 4951 0.0 -1 8 {} O 0.0 {0.918827 0.0970176 0.525507} O3300 4952 0.0 -1 8 {} O 0.0 {0.923349 0.0873064 0.432854} O3301 4953 0.0 -1 8 {} O 0.0 {0.913195 0.0904696 0.425984} O3302 4954 0.0 -1 8 {} O 0.0 {0.91302 0.0653837 0.603927} O3303 4955 0.0 -1 8 {} O 0.0 {0.903186 0.059911 0.606891} O3304 4956 0.0 -1 14 {} Si 0.0 {0.908031 0.0631959 0.651985} Si1653 4957 0.0 -1 14 {} Si 0.0 {0.918438 0.0613415 0.893738} Si1654 4958 0.0 -1 14 {} Si 0.0 {0.908494 0.0877675 0.73293} Si1655 4959 0.0 -1 14 {} Si 0.0 {0.919402 0.0866715 0.806339} Si1656 4960 0.0 -1 8 {} O 0.0 {0.910224 0.0521358 0.697488} O3305 4961 0.0 -1 8 {} O 0.0 {0.919647 0.0746561 0.860453} O3306 4962 0.0 -1 8 {} O 0.0 {0.907054 0.076741 0.687662} O3307 4963 0.0 -1 8 {} O 0.0 {0.919228 0.0999344 0.850313} O3308 4964 0.0 -1 8 {} O 0.0 {0.924067 0.088752 0.75656} O3309 4965 0.0 -1 8 {} O 0.0 {0.913801 0.086545 0.773104} O3310 4966 0.0 -1 8 {} O 0.0 {0.912809 0.0614507 0.924173} O3311 4967 0.0 -1 8 {} O 0.0 {0.902835 0.0640465 0.952799} O3312 4968 0.0 -1 14 {} Si 0.0 {0.927897 0.959366 0.963384} Si1657 4969 0.0 -1 14 {} Si 0.0 {0.938396 0.957854 0.229197} Si1658 4970 0.0 -1 14 {} Si 0.0 {0.928348 0.98296 0.0596821} Si1659 4971 0.0 -1 14 {} Si 0.0 {0.937832 0.98259 0.146661} Si1660 4972 0.0 -1 8 {} O 0.0 {0.926384 0.947009 0.00628873} O3313 4973 0.0 -1 8 {} O 0.0 {0.939089 0.971026 0.193498} O3314 4974 0.0 -1 8 {} O 0.0 {0.928878 0.971359 0.00984719} O3315 4975 0.0 -1 8 {} O 0.0 {0.937251 0.995265 0.188655} O3316 4976 0.0 -1 8 {} O 0.0 {0.941584 0.985768 0.0879317} O3317 4977 0.0 -1 8 {} O 0.0 {0.932348 0.979651 0.114114} O3318 4978 0.0 -1 8 {} O 0.0 {0.933965 0.960495 0.280665} O3319 4979 0.0 -1 8 {} O 0.0 {0.923924 0.960523 0.257294} O3320 4980 0.0 -1 14 {} Si 0.0 {0.928317 0.960467 0.309471} Si1661 4981 0.0 -1 14 {} Si 0.0 {0.937887 0.958182 0.557735} Si1662 4982 0.0 -1 14 {} Si 0.0 {0.928188 0.985266 0.391185} Si1663 4983 0.0 -1 14 {} Si 0.0 {0.938486 0.982818 0.473959} Si1664 4984 0.0 -1 8 {} O 0.0 {0.927096 0.946583 0.339191} O3321 4985 0.0 -1 8 {} O 0.0 {0.937318 0.970205 0.510023} O3322 4986 0.0 -1 8 {} O 0.0 {0.927661 0.970972 0.363996} O3323 4987 0.0 -1 8 {} O 0.0 {0.93895 0.995562 0.520788} O3324 4988 0.0 -1 8 {} O 0.0 {0.943392 0.981404 0.428929} O3325 4989 0.0 -1 8 {} O 0.0 {0.933694 0.985631 0.431176} O3326 4990 0.0 -1 8 {} O 0.0 {0.932995 0.957289 0.604314} O3327 4991 0.0 -1 8 {} O 0.0 {0.922372 0.95737 0.596739} O3328 4992 0.0 -1 14 {} Si 0.0 {0.92772 0.960439 0.638942} Si1665 4993 0.0 -1 14 {} Si 0.0 {0.938937 0.958983 0.894662} Si1666 4994 0.0 -1 14 {} Si 0.0 {0.92809 0.983762 0.73309} Si1667 4995 0.0 -1 14 {} Si 0.0 {0.938033 0.985244 0.825676} Si1668 4996 0.0 -1 8 {} O 0.0 {0.927092 0.949189 0.686183} O3329 4997 0.0 -1 8 {} O 0.0 {0.939248 0.974154 0.880798} O3330 4998 0.0 -1 8 {} O 0.0 {0.92813 0.973296 0.68058} O3331 4999 0.0 -1 8 {} O 0.0 {0.936089 0.998647 0.850999} O3332 5000 0.0 -1 8 {} O 0.0 {0.94329 0.98506 0.786922} O3333 5001 0.0 -1 8 {} O 0.0 {0.933156 0.981339 0.774377} O3334 5002 0.0 -1 8 {} O 0.0 {0.933078 0.957556 0.920529} O3335 5003 0.0 -1 8 {} O 0.0 {0.92283 0.959904 0.916454} O3336 5004 0.0 -1 14 {} Si 0.0 {0.928316 0.00992516 0.987803} Si1669 5005 0.0 -1 14 {} Si 0.0 {0.937607 0.0101459 0.217772} Si1670 5006 0.0 -1 14 {} Si 0.0 {0.927287 0.0339671 0.0717975} Si1671 5007 0.0 -1 14 {} Si 0.0 {0.937618 0.0357654 0.147839} Si1672 5008 0.0 -1 8 {} O 0.0 {0.92936 0.996683 0.0249558} O3337 5009 0.0 -1 8 {} O 0.0 {0.937602 0.0208131 0.168008} O3338 5010 0.0 -1 8 {} O 0.0 {0.929232 0.0204407 0.0429547} O3339 5011 0.0 -1 8 {} O 0.0 {0.938663 0.0455712 0.202315} O3340 5012 0.0 -1 8 {} O 0.0 {0.941847 0.0384309 0.0954195} O3341 5013 0.0 -1 8 {} O 0.0 {0.931686 0.0377444 0.122712} O3342 5014 0.0 -1 8 {} O 0.0 {0.93299 0.0136995 0.265122} O3343 5015 0.0 -1 8 {} O 0.0 {0.922416 0.00831349 0.276311} O3344 5016 0.0 -1 14 {} Si 0.0 {0.928215 0.00939774 0.30665} Si1673 5017 0.0 -1 14 {} Si 0.0 {0.938207 0.00775486 0.561721} Si1674 5018 0.0 -1 14 {} Si 0.0 {0.928847 0.0329861 0.401085} Si1675 5019 0.0 -1 14 {} Si 0.0 {0.938311 0.0340441 0.495141} Si1676 5020 0.0 -1 8 {} O 0.0 {0.928952 0.994763 0.333335} O3345 5021 0.0 -1 8 {} O 0.0 {0.936647 0.0205094 0.520542} O3346 5022 0.0 -1 8 {} O 0.0 {0.928244 0.01918 0.371678} O3347 5023 0.0 -1 8 {} O 0.0 {0.93915 0.0455807 0.544202} O3348 5024 0.0 -1 8 {} O 0.0 {0.943862 0.0331672 0.456564} O3349 5025 0.0 -1 8 {} O 0.0 {0.934032 0.0363557 0.44004} O3350 5026 0.0 -1 8 {} O 0.0 {0.934135 0.00593061 0.618608} O3351 5027 0.0 -1 8 {} O 0.0 {0.924249 0.0061656 0.600442} O3352 5028 0.0 -1 14 {} Si 0.0 {0.928655 0.00834713 0.651833} Si1677 5029 0.0 -1 14 {} Si 0.0 {0.937158 0.0124935 0.885242} Si1678 5030 0.0 -1 14 {} Si 0.0 {0.927299 0.0354544 0.723815} Si1679 5031 0.0 -1 14 {} Si 0.0 {0.937571 0.037108 0.798817} Si1680 5032 0.0 -1 8 {} O 0.0 {0.928074 0.997972 0.703148} O3353 5033 0.0 -1 8 {} O 0.0 {0.936713 0.0237625 0.833654} O3354 5034 0.0 -1 8 {} O 0.0 {0.928841 0.0230337 0.67963} O3355 5035 0.0 -1 8 {} O 0.0 {0.939011 0.0478404 0.850853} O3356 5036 0.0 -1 8 {} O 0.0 {0.941963 0.0365628 0.748323} O3357 5037 0.0 -1 8 {} O 0.0 {0.932266 0.0399633 0.763444} O3358 5038 0.0 -1 8 {} O 0.0 {0.932928 0.0132893 0.939128} O3359 5039 0.0 -1 8 {} O 0.0 {0.922804 0.00916226 0.955551} O3360 5040 0.0 -1 14 {} Si 0.0 {0.928223 0.0579604 0.981248} Si1681 5041 0.0 -1 14 {} Si 0.0 {0.938522 0.0594932 0.230037} Si1682 5042 0.0 -1 14 {} Si 0.0 {0.928662 0.0825031 0.0631205} Si1683 5043 0.0 -1 14 {} Si 0.0 {0.938814 0.0844113 0.14477} Si1684 5044 0.0 -1 8 {} O 0.0 {0.927004 0.044952 0.0181703} O3361 5045 0.0 -1 8 {} O 0.0 {0.938704 0.0700424 0.176277} O3362 5046 0.0 -1 8 {} O 0.0 {0.92997 0.0698033 0.024152} O3363 5047 0.0 -1 8 {} O 0.0 {0.939216 0.0953484 0.192016} O3364 5048 0.0 -1 8 {} O 0.0 {0.943145 0.0874138 0.0929991} O3365 5049 0.0 -1 8 {} O 0.0 {0.933274 0.0861289 0.110519} O3366 5050 0.0 -1 8 {} O 0.0 {0.932984 0.06065 0.267516} O3367 5051 0.0 -1 8 {} O 0.0 {0.923197 0.05799 0.269236} O3368 5052 0.0 -1 14 {} Si 0.0 {0.928311 0.0567033 0.314002} Si1685 5053 0.0 -1 14 {} Si 0.0 {0.938378 0.0602016 0.568953} Si1686 5054 0.0 -1 14 {} Si 0.0 {0.927886 0.082984 0.387705} Si1687 5055 0.0 -1 14 {} Si 0.0 {0.937419 0.0836738 0.480939} Si1688 5056 0.0 -1 8 {} O 0.0 {0.928425 0.0419624 0.340915} O3369 5057 0.0 -1 8 {} O 0.0 {0.937096 0.0694352 0.510608} O3370 5058 0.0 -1 8 {} O 0.0 {0.928186 0.0681403 0.36802} O3371 5059 0.0 -1 8 {} O 0.0 {0.936061 0.0953707 0.527122} O3372 5060 0.0 -1 8 {} O 0.0 {0.942863 0.0893887 0.449715} O3373 5061 0.0 -1 8 {} O 0.0 {0.933475 0.0856798 0.418371} O3374 5062 0.0 -1 8 {} O 0.0 {0.933141 0.0607033 0.607223} O3375 5063 0.0 -1 8 {} O 0.0 {0.923076 0.0638995 0.592493} O3376 5064 0.0 -1 14 {} Si 0.0 {0.927386 0.0595792 0.640102} Si1689 5065 0.0 -1 14 {} Si 0.0 {0.938056 0.0606611 0.89337} Si1690 5066 0.0 -1 14 {} Si 0.0 {0.928583 0.0857374 0.708137} Si1691 5067 0.0 -1 14 {} Si 0.0 {0.937954 0.0845982 0.801351} Si1692 5068 0.0 -1 8 {} O 0.0 {0.926439 0.0458622 0.670662} O3377 5069 0.0 -1 8 {} O 0.0 {0.936575 0.0729741 0.850346} O3378 5070 0.0 -1 8 {} O 0.0 {0.927636 0.0711406 0.6946} O3379 5071 0.0 -1 8 {} O 0.0 {0.937092 0.0975103 0.841108} O3380 5072 0.0 -1 8 {} O 0.0 {0.943769 0.0837965 0.773079} O3381 5073 0.0 -1 8 {} O 0.0 {0.933871 0.0861057 0.744226} O3382 5074 0.0 -1 8 {} O 0.0 {0.932875 0.0555839 0.931579} O3383 5075 0.0 -1 8 {} O 0.0 {0.922741 0.0607232 0.944572} O3384 5076 0.0 -1 14 {} Si 0.0 {0.948216 0.959457 0.993532} Si1693 5077 0.0 -1 14 {} Si 0.0 {0.957409 0.960629 0.181304} Si1694 5078 0.0 -1 14 {} Si 0.0 {0.946651 0.987689 0.0499805} Si1695 5079 0.0 -1 14 {} Si 0.0 {0.957146 0.990382 0.133109} Si1696 5080 0.0 -1 8 {} O 0.0 {0.949523 0.949031 0.0475675} O3385 5081 0.0 -1 8 {} O 0.0 {0.958009 0.974966 0.153496} O3386 5082 0.0 -1 8 {} O 0.0 {0.948419 0.974391 0.0150882} O3387 5083 0.0 -1 8 {} O 0.0 {0.957063 0.998778 0.193862} O3388 5084 0.0 -1 8 {} O 0.0 {0.962148 0.993151 0.088041} O3389 5085 0.0 -1 8 {} O 0.0 {0.951594 0.991479 0.0928979} O3390 5086 0.0 -1 8 {} O 0.0 {0.952897 0.96203 0.228571} O3391 5087 0.0 -1 8 {} O 0.0 {0.943522 0.955822 0.271344} O3392 5088 0.0 -1 14 {} Si 0.0 {0.949397 0.958931 0.290511} Si1697 5089 0.0 -1 14 {} Si 0.0 {0.957931 0.958492 0.554978} Si1698 5090 0.0 -1 14 {} Si 0.0 {0.948471 0.982349 0.381175} Si1699 5091 0.0 -1 14 {} Si 0.0 {0.958074 0.982945 0.474482} Si1700 5092 0.0 -1 8 {} O 0.0 {0.952658 0.947533 0.319901} O3393 5093 0.0 -1 8 {} O 0.0 {0.957837 0.968097 0.498024} O3394 5094 0.0 -1 8 {} O 0.0 {0.949915 0.969889 0.341744} O3395 5095 0.0 -1 8 {} O 0.0 {0.957561 0.992917 0.533118} O3396 5096 0.0 -1 8 {} O 0.0 {0.963537 0.982918 0.439696} O3397 5097 0.0 -1 8 {} O 0.0 {0.953265 0.98509 0.428524} O3398 5098 0.0 -1 8 {} O 0.0 {0.953608 0.9622 0.606451} O3399 5099 0.0 -1 8 {} O 0.0 {0.943333 0.95887 0.591299} O3400 5100 0.0 -1 14 {} Si 0.0 {0.947999 0.961988 0.639234} Si1701 5101 0.0 -1 14 {} Si 0.0 {0.957397 0.958508 0.89004} Si1702 5102 0.0 -1 14 {} Si 0.0 {0.947461 0.986023 0.730487} Si1703 5103 0.0 -1 14 {} Si 0.0 {0.957177 0.983357 0.812269} Si1704 5104 0.0 -1 8 {} O 0.0 {0.947554 0.951726 0.688775} O3401 5105 0.0 -1 8 {} O 0.0 {0.955986 0.972429 0.863224} O3402 5106 0.0 -1 8 {} O 0.0 {0.946848 0.97515 0.677184} O3403 5107 0.0 -1 8 {} O 0.0 {0.956725 0.997438 0.846315} O3404 5108 0.0 -1 8 {} O 0.0 {0.963248 0.982095 0.787239} O3405 5109 0.0 -1 8 {} O 0.0 {0.953007 0.982565 0.757469} O3406 5110 0.0 -1 8 {} O 0.0 {0.953643 0.955614 0.948818} O3407 5111 0.0 -1 8 {} O 0.0 {0.943169 0.957182 0.94861} O3408 5112 0.0 -1 14 {} Si 0.0 {0.947123 0.0113439 0.963003} Si1705 5113 0.0 -1 14 {} Si 0.0 {0.957625 0.0117424 0.233639} Si1706 5114 0.0 -1 14 {} Si 0.0 {0.946686 0.0351349 0.0552778} Si1707 5115 0.0 -1 14 {} Si 0.0 {0.956356 0.035474 0.143114} Si1708 5116 0.0 -1 8 {} O 0.0 {0.946258 0.997601 0.995896} O3409 5117 0.0 -1 8 {} O 0.0 {0.958087 0.0244922 0.188923} O3410 5118 0.0 -1 8 {} O 0.0 {0.946129 0.0221121 0.0128263} O3411 5119 0.0 -1 8 {} O 0.0 {0.954722 0.0476027 0.182598} O3412 5120 0.0 -1 8 {} O 0.0 {0.961415 0.0388711 0.100638} O3413 5121 0.0 -1 8 {} O 0.0 {0.951594 0.0323763 0.0999261} O3414 5122 0.0 -1 8 {} O 0.0 {0.953012 0.0128912 0.281995} O3415 5123 0.0 -1 8 {} O 0.0 {0.943159 0.00840104 0.251563} O3416 5124 0.0 -1 14 {} Si 0.0 {0.947509 0.00873831 0.308785} Si1709 5125 0.0 -1 14 {} Si 0.0 {0.957751 0.00677822 0.565525} Si1710 5126 0.0 -1 14 {} Si 0.0 {0.947439 0.0322246 0.396387} Si1711 5127 0.0 -1 14 {} Si 0.0 {0.957345 0.0322594 0.477893} Si1712 5128 0.0 -1 8 {} O 0.0 {0.947545 0.995182 0.340024} O3417 5129 0.0 -1 8 {} O 0.0 {0.956688 0.0188353 0.516904} O3418 5130 0.0 -1 8 {} O 0.0 {0.945885 0.0193839 0.356512} O3419 5131 0.0 -1 8 {} O 0.0 {0.957616 0.0437462 0.52597} O3420 5132 0.0 -1 8 {} O 0.0 {0.963355 0.0320026 0.446634} O3421 5133 0.0 -1 8 {} O 0.0 {0.953308 0.0314079 0.421526} O3422 5134 0.0 -1 8 {} O 0.0 {0.953468 0.00768279 0.618371} O3423 5135 0.0 -1 8 {} O 0.0 {0.943472 0.0124564 0.596918} O3424 5136 0.0 -1 14 {} Si 0.0 {0.947909 0.0112513 0.647353} Si1713 5137 0.0 -1 14 {} Si 0.0 {0.957527 0.0106216 0.882134} Si1714 5138 0.0 -1 14 {} Si 0.0 {0.94766 0.0375755 0.723004} Si1715 5139 0.0 -1 14 {} Si 0.0 {0.95734 0.0367304 0.807613} Si1716 5140 0.0 -1 8 {} O 0.0 {0.947194 0.99992 0.698456} O3425 5141 0.0 -1 8 {} O 0.0 {0.95769 0.0226222 0.836892} O3426 5142 0.0 -1 8 {} O 0.0 {0.948838 0.0247299 0.683146} O3427 5143 0.0 -1 8 {} O 0.0 {0.959048 0.0474585 0.858372} O3428 5144 0.0 -1 8 {} O 0.0 {0.961624 0.0380139 0.752998} O3429 5145 0.0 -1 8 {} O 0.0 {0.95181 0.0393951 0.778094} O3430 5146 0.0 -1 8 {} O 0.0 {0.952632 0.0118935 0.929698} O3431 5147 0.0 -1 8 {} O 0.0 {0.94287 0.0141328 0.908494} O3432 5148 0.0 -1 14 {} Si 0.0 {0.948189 0.0613789 0.970325} Si1717 5149 0.0 -1 14 {} Si 0.0 {0.956207 0.0588973 0.230579} Si1718 5150 0.0 -1 14 {} Si 0.0 {0.948307 0.0854396 0.0562752} Si1719 5151 0.0 -1 14 {} Si 0.0 {0.957493 0.0849869 0.155526} Si1720 5152 0.0 -1 8 {} O 0.0 {0.947653 0.0471696 0.00979926} O3433 5153 0.0 -1 8 {} O 0.0 {0.956711 0.0718295 0.193566} O3434 5154 0.0 -1 8 {} O 0.0 {0.948831 0.0717618 0.0225075} O3435 5155 0.0 -1 8 {} O 0.0 {0.958521 0.0951483 0.21225} O3436 5156 0.0 -1 8 {} O 0.0 {0.963005 0.0847167 0.123136} O3437 5157 0.0 -1 8 {} O 0.0 {0.953233 0.088294 0.104845} O3438 5158 0.0 -1 8 {} O 0.0 {0.952704 0.0601522 0.291295} O3439 5159 0.0 -1 8 {} O 0.0 {0.942704 0.0635749 0.281713} O3440 5160 0.0 -1 14 {} Si 0.0 {0.947422 0.0602844 0.331204} Si1721 5161 0.0 -1 14 {} Si 0.0 {0.958788 0.0573631 0.554344} Si1722 5162 0.0 -1 14 {} Si 0.0 {0.947704 0.0858248 0.406764} Si1723 5163 0.0 -1 14 {} Si 0.0 {0.958438 0.0822498 0.473951} Si1724 5164 0.0 -1 8 {} O 0.0 {0.946171 0.0454258 0.359118} O3441 5165 0.0 -1 8 {} O 0.0 {0.959122 0.068229 0.500873} O3442 5166 0.0 -1 8 {} O 0.0 {0.947127 0.0710985 0.385104} O3443 5167 0.0 -1 8 {} O 0.0 {0.961616 0.0934386 0.509448} O3444 5168 0.0 -1 8 {} O 0.0 {0.961203 0.0811977 0.406401} O3445 5169 0.0 -1 8 {} O 0.0 {0.95239 0.0854008 0.460115} O3446 5170 0.0 -1 8 {} O 0.0 {0.953884 0.0625225 0.595877} O3447 5171 0.0 -1 8 {} O 0.0 {0.943466 0.0653844 0.603134} O3448 5172 0.0 -1 14 {} Si 0.0 {0.948696 0.062824 0.639977} Si1725 5173 0.0 -1 14 {} Si 0.0 {0.958693 0.0605171 0.894949} Si1726 5174 0.0 -1 14 {} Si 0.0 {0.94858 0.0872519 0.729912} Si1727 5175 0.0 -1 14 {} Si 0.0 {0.959267 0.0853864 0.805263} Si1728 5176 0.0 -1 8 {} O 0.0 {0.948588 0.0491593 0.672191} O3449 5177 0.0 -1 8 {} O 0.0 {0.959482 0.073151 0.846283} O3450 5178 0.0 -1 8 {} O 0.0 {0.949964 0.0741953 0.689465} O3451 5179 0.0 -1 8 {} O 0.0 {0.962901 0.0963385 0.834435} O3452 5180 0.0 -1 8 {} O 0.0 {0.961992 0.0835471 0.738146} O3453 5181 0.0 -1 8 {} O 0.0 {0.953109 0.0885077 0.780073} O3454 5182 0.0 -1 8 {} O 0.0 {0.953051 0.0625598 0.924558} O3455 5183 0.0 -1 8 {} O 0.0 {0.942729 0.0638455 0.937864} O3456 5184 0.0 -1 14 {} Si 0.0 {0.966849 0.96263 0.980696} Si1729 5185 0.0 -1 14 {} Si 0.0 {0.976975 0.957538 0.230456} Si1730 5186 0.0 -1 14 {} Si 0.0 {0.967203 0.98887 0.0550654} Si1731 5187 0.0 -1 14 {} Si 0.0 {0.976793 0.981569 0.144153} Si1732 5188 0.0 -1 8 {} O 0.0 {0.964535 0.953263 0.0319283} O3457 5189 0.0 -1 8 {} O 0.0 {0.975495 0.968542 0.184244} O3458 5190 0.0 -1 8 {} O 0.0 {0.966581 0.976824 0.0090227} O3459 5191 0.0 -1 8 {} O 0.0 {0.977366 0.993925 0.189034} O3460 5192 0.0 -1 8 {} O 0.0 {0.981796 0.979384 0.101402} O3461 5193 0.0 -1 8 {} O 0.0 {0.971848 0.984056 0.0989129} O3462 5194 0.0 -1 8 {} O 0.0 {0.97194 0.955623 0.27102} O3463 5195 0.0 -1 8 {} O 0.0 {0.962507 0.957792 0.218931} O3464 5196 0.0 -1 14 {} Si 0.0 {0.965737 0.958089 0.285751} Si1733 5197 0.0 -1 14 {} Si 0.0 {0.977231 0.960002 0.559769} Si1734 5198 0.0 -1 14 {} Si 0.0 {0.967144 0.98016 0.381525} Si1735 5199 0.0 -1 14 {} Si 0.0 {0.976633 0.984424 0.474497} Si1736 5200 0.0 -1 8 {} O 0.0 {0.962636 0.94671 0.320256} O3465 5201 0.0 -1 8 {} O 0.0 {0.976321 0.972667 0.52039} O3466 5202 0.0 -1 8 {} O 0.0 {0.965073 0.969699 0.334552} O3467 5203 0.0 -1 8 {} O 0.0 {0.975688 0.997996 0.512276} O3468 5204 0.0 -1 8 {} O 0.0 {0.982235 0.985983 0.442481} O3469 5205 0.0 -1 8 {} O 0.0 {0.972938 0.980979 0.412999} O3470 5206 0.0 -1 8 {} O 0.0 {0.972805 0.955925 0.610297} O3471 5207 0.0 -1 8 {} O 0.0 {0.963336 0.960094 0.593071} O3472 5208 0.0 -1 14 {} Si 0.0 {0.967455 0.956908 0.646703} Si1737 5209 0.0 -1 14 {} Si 0.0 {0.976609 0.95934 0.893639} Si1738 5210 0.0 -1 14 {} Si 0.0 {0.96745 0.981354 0.734026} Si1739 5211 0.0 -1 14 {} Si 0.0 {0.977161 0.98607 0.81991} Si1740 5212 0.0 -1 8 {} O 0.0 {0.964737 0.94327 0.665592} O3473 5213 0.0 -1 8 {} O 0.0 {0.975854 0.973212 0.861656} O3474 5214 0.0 -1 8 {} O 0.0 {0.967077 0.9675 0.703395} O3475 5215 0.0 -1 8 {} O 0.0 {0.976838 0.99881 0.861048} O3476 5216 0.0 -1 8 {} O 0.0 {0.982671 0.984854 0.783377} O3477 5217 0.0 -1 8 {} O 0.0 {0.973074 0.984403 0.767175} O3478 5218 0.0 -1 8 {} O 0.0 {0.972752 0.959366 0.953501} O3479 5219 0.0 -1 8 {} O 0.0 {0.963016 0.960215 0.919084} O3480 5220 0.0 -1 14 {} Si 0.0 {0.967222 0.0140486 0.973358} Si1741 5221 0.0 -1 14 {} Si 0.0 {0.978474 0.0067707 0.226646} Si1742 5222 0.0 -1 14 {} Si 0.0 {0.966995 0.0373363 0.0690024} Si1743 5223 0.0 -1 14 {} Si 0.0 {0.977082 0.030854 0.138911} Si1744 5224 0.0 -1 8 {} O 0.0 {0.968949 0.00202669 0.0175371} O3481 5225 0.0 -1 8 {} O 0.0 {0.978291 0.0181294 0.17531} O3482 5226 0.0 -1 8 {} O 0.0 {0.966449 0.0266343 0.015031} O3483 5227 0.0 -1 8 {} O 0.0 {0.978375 0.0436572 0.181022} O3484 5228 0.0 -1 8 {} O 0.0 {0.980865 0.0315989 0.0802302} O3485 5229 0.0 -1 8 {} O 0.0 {0.971211 0.0328931 0.117221} O3486 5230 0.0 -1 8 {} O 0.0 {0.973833 0.00833273 0.273946} O3487 5231 0.0 -1 8 {} O 0.0 {0.963271 0.0101316 0.265824} O3488 5232 0.0 -1 14 {} Si 0.0 {0.968305 0.00683817 0.30705} Si1745 5233 0.0 -1 14 {} Si 0.0 {0.977106 0.00977155 0.564926} Si1746 5234 0.0 -1 14 {} Si 0.0 {0.967847 0.0301832 0.397317} Si1747 5235 0.0 -1 14 {} Si 0.0 {0.978005 0.0333507 0.477323} Si1748 5236 0.0 -1 8 {} O 0.0 {0.967279 0.992487 0.333081} O3489 5237 0.0 -1 8 {} O 0.0 {0.976998 0.0232769 0.530868} O3490 5238 0.0 -1 8 {} O 0.0 {0.968493 0.0167895 0.363681} O3491 5239 0.0 -1 8 {} O 0.0 {0.979168 0.0478244 0.503952} O3492 5240 0.0 -1 8 {} O 0.0 {0.983274 0.0295095 0.444284} O3493 5241 0.0 -1 8 {} O 0.0 {0.973323 0.0327238 0.429445} O3494 5242 0.0 -1 8 {} O 0.0 {0.97314 0.00750258 0.618771} O3495 5243 0.0 -1 8 {} O 0.0 {0.963429 0.00755939 0.588863} O3496 5244 0.0 -1 14 {} Si 0.0 {0.967375 0.00558354 0.649469} Si1749 5245 0.0 -1 14 {} Si 0.0 {0.977382 0.0121727 0.898813} Si1750 5246 0.0 -1 14 {} Si 0.0 {0.966981 0.0315444 0.728227} Si1751 5247 0.0 -1 14 {} Si 0.0 {0.977109 0.0355186 0.809163} Si1752 5248 0.0 -1 8 {} O 0.0 {0.966384 0.992082 0.679765} O3497 5249 0.0 -1 8 {} O 0.0 {0.978828 0.0228914 0.849863} O3498 5250 0.0 -1 8 {} O 0.0 {0.967147 0.0172902 0.703556} O3499 5251 0.0 -1 8 {} O 0.0 {0.975579 0.0469756 0.854884} O3500 5252 0.0 -1 8 {} O 0.0 {0.981585 0.039333 0.760618} O3501 5253 0.0 -1 8 {} O 0.0 {0.971779 0.0322257 0.775226} O3502 5254 0.0 -1 8 {} O 0.0 {0.972183 0.016833 0.931344} O3503 5255 0.0 -1 8 {} O 0.0 {0.96228 0.0113399 0.926404} O3504 5256 0.0 -1 14 {} Si 0.0 {0.967972 0.0624786 0.993447} Si1753 5257 0.0 -1 14 {} Si 0.0 {0.976963 0.0565303 0.220861} Si1754 5258 0.0 -1 14 {} Si 0.0 {0.967772 0.087047 0.0754964} Si1755 5259 0.0 -1 14 {} Si 0.0 {0.978484 0.0822412 0.143028} Si1756 5260 0.0 -1 8 {} O 0.0 {0.969057 0.0504946 0.041735} O3505 5261 0.0 -1 8 {} O 0.0 {0.976957 0.0703183 0.185054} O3506 5262 0.0 -1 8 {} O 0.0 {0.967293 0.0768159 0.0224284} O3507 5263 0.0 -1 8 {} O 0.0 {0.981769 0.0923094 0.179587} O3508 5264 0.0 -1 8 {} O 0.0 {0.982499 0.0793623 0.0862789} O3509 5265 0.0 -1 8 {} O 0.0 {0.973211 0.0871303 0.111015} O3510 5266 0.0 -1 8 {} O 0.0 {0.971267 0.0536275 0.252028} O3511 5267 0.0 -1 8 {} O 0.0 {0.96172 0.0557885 0.263496} O3512 5268 0.0 -1 14 {} Si 0.0 {0.967013 0.0543424 0.301292} Si1757 5269 0.0 -1 14 {} Si 0.0 {0.977974 0.0609046 0.543892} Si1758 5270 0.0 -1 14 {} Si 0.0 {0.96633 0.0812891 0.363612} Si1759 5271 0.0 -1 14 {} Si 0.0 {0.974894 0.0856764 0.466926} Si1760 5272 0.0 -1 8 {} O 0.0 {0.967519 0.0409164 0.342655} O3513 5273 0.0 -1 8 {} O 0.0 {0.975505 0.0720469 0.500697} O3514 5274 0.0 -1 8 {} O 0.0 {0.967494 0.0663157 0.347936} O3515 5275 0.0 -1 8 {} O 0.0 {0.971409 0.0939727 0.511274} O3516 5276 0.0 -1 8 {} O 0.0 {0.980352 0.0900336 0.437188} O3517 5277 0.0 -1 8 {} O 0.0 {0.971222 0.0859167 0.406222} O3518 5278 0.0 -1 8 {} O 0.0 {0.974218 0.0580452 0.602462} O3519 5279 0.0 -1 8 {} O 0.0 {0.964388 0.0572023 0.589332} O3520 5280 0.0 -1 14 {} Si 0.0 {0.96889 0.0554261 0.640076} Si1761 5281 0.0 -1 14 {} Si 0.0 {0.976196 0.0612295 0.877696} Si1762 5282 0.0 -1 14 {} Si 0.0 {0.967269 0.0828494 0.693092} Si1763 5283 0.0 -1 14 {} Si 0.0 {0.975611 0.0866229 0.79791} Si1764 5284 0.0 -1 8 {} O 0.0 {0.967912 0.0415869 0.667222} O3521 5285 0.0 -1 8 {} O 0.0 {0.974992 0.072636 0.828915} O3522 5286 0.0 -1 8 {} O 0.0 {0.968173 0.0678088 0.686051} O3523 5287 0.0 -1 8 {} O 0.0 {0.972668 0.0977049 0.84046} O3524 5288 0.0 -1 8 {} O 0.0 {0.981759 0.0885887 0.772702} O3525 5289 0.0 -1 8 {} O 0.0 {0.972187 0.0881179 0.735232} O3526 5290 0.0 -1 8 {} O 0.0 {0.972226 0.0646404 0.934773} O3527 5291 0.0 -1 8 {} O 0.0 {0.962774 0.0592539 0.956098} O3528 5292 0.0 -1 14 {} Si 0.0 {0.987478 0.960086 0.963866} Si1765 5293 0.0 -1 14 {} Si 0.0 {0.997086 0.962121 0.223187} Si1766 5294 0.0 -1 14 {} Si 0.0 {0.986733 0.983637 0.061501} Si1767 5295 0.0 -1 14 {} Si 0.0 {0.997784 0.985751 0.133618} Si1768 5296 0.0 -1 8 {} O 0.0 {0.986874 0.948173 0.0063574} O3529 5297 0.0 -1 8 {} O 0.0 {0.998391 0.97526 0.186529} O3530 5298 0.0 -1 8 {} O 0.0 {0.98749 0.972837 0.00705422} O3531 5299 0.0 -1 8 {} O 0.0 {0.998027 0.999368 0.167998} O3532 5300 0.0 -1 8 {} O 0.0 {0.00206394 0.983251 0.079604} O3533 5301 0.0 -1 8 {} O 0.0 {0.991785 0.983078 0.105532} O3534 5302 0.0 -1 8 {} O 0.0 {0.99165 0.962347 0.257812} O3535 5303 0.0 -1 8 {} O 0.0 {0.981765 0.961542 0.272917} O3536 5304 0.0 -1 14 {} Si 0.0 {0.987079 0.96127 0.308665} Si1769 5305 0.0 -1 14 {} Si 0.0 {0.998359 0.962358 0.569839} Si1770 5306 0.0 -1 14 {} Si 0.0 {0.987494 0.984917 0.404937} Si1771 5307 0.0 -1 14 {} Si 0.0 {0.997334 0.986795 0.488962} Si1772 5308 0.0 -1 8 {} O 0.0 {0.988006 0.946481 0.334498} O3537 5309 0.0 -1 8 {} O 0.0 {0.999275 0.975916 0.537299} O3538 5310 0.0 -1 8 {} O 0.0 {0.98784 0.972199 0.36051} O3539 5311 0.0 -1 8 {} O 0.0 {0.996054 0.000520318 0.522144} O3540 5312 0.0 -1 8 {} O 0.0 {0.00206677 0.989305 0.443452} O3541 5313 0.0 -1 8 {} O 0.0 {0.992208 0.982293 0.453642} O3542 5314 0.0 -1 8 {} O 0.0 {0.992647 0.961117 0.591666} O3543 5315 0.0 -1 8 {} O 0.0 {0.982656 0.962678 0.593123} O3544 5316 0.0 -1 14 {} Si 0.0 {0.987564 0.961061 0.639851} Si1773 5317 0.0 -1 14 {} Si 0.0 {0.99797 0.958496 0.887141} Si1774 5318 0.0 -1 14 {} Si 0.0 {0.98752 0.984345 0.736184} Si1775 5319 0.0 -1 14 {} Si 0.0 {0.997996 0.984237 0.814236} Si1776 5320 0.0 -1 8 {} O 0.0 {0.986517 0.947019 0.664724} O3545 5321 0.0 -1 8 {} O 0.0 {0.99731 0.973055 0.867213} O3546 5322 0.0 -1 8 {} O 0.0 {0.988318 0.972439 0.689532} O3547 5323 0.0 -1 8 {} O 0.0 {0.998307 0.9986 0.847176} O3548 5324 0.0 -1 8 {} O 0.0 {0.00255981 0.982903 0.760859} O3549 5325 0.0 -1 8 {} O 0.0 {0.992682 0.983687 0.777876} O3550 5326 0.0 -1 8 {} O 0.0 {0.992785 0.955623 0.924151} O3551 5327 0.0 -1 8 {} O 0.0 {0.982668 0.960101 0.918661} O3552 5328 0.0 -1 14 {} Si 0.0 {0.987478 0.0089577 0.98039} Si1777 5329 0.0 -1 14 {} Si 0.0 {0.998519 0.0104718 0.219211} Si1778 5330 0.0 -1 14 {} Si 0.0 {0.986716 0.0344866 0.0527392} Si1779 5331 0.0 -1 14 {} Si 0.0 {0.99602 0.0368677 0.150139} Si1780 5332 0.0 -1 8 {} O 0.0 {0.987402 0.998416 0.0382402} O3553 5333 0.0 -1 8 {} O 0.0 {0.997651 0.0235167 0.178094} O3554 5334 0.0 -1 8 {} O 0.0 {0.988672 0.0225912 0.0104063} O3555 5335 0.0 -1 8 {} O 0.0 {0.995096 0.046097 0.209193} O3556 5336 0.0 -1 8 {} O 0.0 {0.000147588 0.0417919 0.10196} O3557 5337 0.0 -1 8 {} O 0.0 {0.990728 0.0347242 0.110792} O3558 5338 0.0 -1 8 {} O 0.0 {0.993776 0.00870486 0.270655} O3559 5339 0.0 -1 8 {} O 0.0 {0.984375 0.00521075 0.255599} O3560 5340 0.0 -1 14 {} Si 0.0 {0.988473 0.00792279 0.310747} Si1781 5341 0.0 -1 14 {} Si 0.0 {0.996778 0.0131109 0.565422} Si1782 5342 0.0 -1 14 {} Si 0.0 {0.987627 0.0323082 0.392795} Si1783 5343 0.0 -1 14 {} Si 0.0 {0.99728 0.0380884 0.483} Si1784 5344 0.0 -1 8 {} O 0.0 {0.988586 0.997197 0.363691} O3561 5345 0.0 -1 8 {} O 0.0 {0.996494 0.0271459 0.532948} O3562 5346 0.0 -1 8 {} O 0.0 {0.987183 0.0213575 0.34147} O3563 5347 0.0 -1 8 {} O 0.0 {0.995979 0.0527592 0.505944} O3564 5348 0.0 -1 8 {} O 0.0 {0.00286464 0.0374362 0.452501} O3565 5349 0.0 -1 8 {} O 0.0 {0.993098 0.034279 0.428444} O3566 5350 0.0 -1 8 {} O 0.0 {0.992919 0.0107521 0.622278} O3567 5351 0.0 -1 8 {} O 0.0 {0.982931 0.00796186 0.589795} O3568 5352 0.0 -1 14 {} Si 0.0 {0.9872 0.00878559 0.648198} Si1785 5353 0.0 -1 14 {} Si 0.0 {0.996813 0.00975962 0.891924} Si1786 5354 0.0 -1 14 {} Si 0.0 {0.98596 0.0356718 0.714407} Si1787 5355 0.0 -1 14 {} Si 0.0 {0.996413 0.0346491 0.801879} Si1788 5356 0.0 -1 8 {} O 0.0 {0.98695 0.997249 0.695037} O3569 5357 0.0 -1 8 {} O 0.0 {0.996059 0.0223454 0.846708} O3570 5358 0.0 -1 8 {} O 0.0 {0.985533 0.021738 0.683126} O3571 5359 0.0 -1 8 {} O 0.0 {0.99857 0.0476608 0.837912} O3572 5360 0.0 -1 8 {} O 0.0 {0.000897644 0.0327462 0.752004} O3573 5361 0.0 -1 8 {} O 0.0 {0.991226 0.0354137 0.756782} O3574 5362 0.0 -1 8 {} O 0.0 {0.991626 0.00525809 0.928592} O3575 5363 0.0 -1 8 {} O 0.0 {0.981944 0.0109714 0.952578} O3576 5364 0.0 -1 14 {} Si 0.0 {0.986719 0.0589026 0.960115} Si1789 5365 0.0 -1 14 {} Si 0.0 {0.995549 0.0608158 0.238512} Si1790 5366 0.0 -1 14 {} Si 0.0 {0.987058 0.0845497 0.0377495} Si1791 5367 0.0 -1 14 {} Si 0.0 {0.995332 0.0853312 0.148783} Si1792 5368 0.0 -1 8 {} O 0.0 {0.986572 0.0474046 0.00878143} O3577 5369 0.0 -1 8 {} O 0.0 {0.994833 0.0710686 0.185138} O3578 5370 0.0 -1 8 {} O 0.0 {0.98826 0.0723184 0.995665} O3579 5371 0.0 -1 8 {} O 0.0 {0.991519 0.0947274 0.185122} O3580 5372 0.0 -1 8 {} O 0.0 {0.00132718 0.0891103 0.116966} O3581 5373 0.0 -1 8 {} O 0.0 {0.992338 0.0861792 0.080447} O3582 5374 0.0 -1 8 {} O 0.0 {0.991102 0.0631948 0.289529} O3583 5375 0.0 -1 8 {} O 0.0 {0.981608 0.0589909 0.271061} O3584 5376 0.0 -1 14 {} Si 0.0 {0.985993 0.06039 0.324978} Si1793 5377 0.0 -1 14 {} Si 0.0 {0.997184 0.0644208 0.551438} Si1794 5378 0.0 -1 14 {} Si 0.0 {0.985331 0.0871151 0.392683} Si1795 5379 0.0 -1 14 {} Si 0.0 {0.995905 0.0887223 0.465813} Si1796 5380 0.0 -1 8 {} O 0.0 {0.985993 0.0466485 0.362675} O3585 5381 0.0 -1 8 {} O 0.0 {0.99568 0.0782079 0.522842} O3586 5382 0.0 -1 8 {} O 0.0 {0.984777 0.071863 0.371885} O3587 5383 0.0 -1 8 {} O 0.0 {0.997964 0.102092 0.485989} O3588 5384 0.0 -1 8 {} O 0.0 {0.000679549 0.0843316 0.420244} O3589 5385 0.0 -1 8 {} O 0.0 {0.990571 0.0911032 0.428863} O3590 5386 0.0 -1 8 {} O 0.0 {0.9926 0.0633167 0.602376} O3591 5387 0.0 -1 8 {} O 0.0 {0.983219 0.0642443 0.580157} O3592 5388 0.0 -1 14 {} Si 0.0 {0.986921 0.0612102 0.639542} Si1797 5389 0.0 -1 14 {} Si 0.0 {0.997033 0.0601044 0.878017} Si1798 5390 0.0 -1 14 {} Si 0.0 {0.98615 0.0864673 0.718365} Si1799 5391 0.0 -1 14 {} Si 0.0 {0.995853 0.0862254 0.806226} Si1800 5392 0.0 -1 8 {} O 0.0 {0.986178 0.0471617 0.66595} O3593 5393 0.0 -1 8 {} O 0.0 {0.996091 0.071709 0.833676} O3594 5394 0.0 -1 8 {} O 0.0 {0.98649 0.0723729 0.692109} O3595 5395 0.0 -1 8 {} O 0.0 {0.994473 0.09769 0.850731} O3596 5396 0.0 -1 8 {} O 0.0 {0.0015512 0.0884765 0.773049} O3597 5397 0.0 -1 8 {} O 0.0 {0.99159 0.0889258 0.753046} O3598 5398 0.0 -1 8 {} O 0.0 {0.991511 0.0572429 0.914535} O3599 5399 0.0 -1 8 {} O 0.0 {0.981819 0.0624158 0.914618} O3600 5400 0.0 -1 1 {} H 0.0 {0.527647 0.154111 0.890093} H1 5401 0.0 -1 8 {} O 0.0 {0.528673 0.133022 0.319089} O3601 5402 0.0 -1 1 {} H 0.0 {0.462474 0.156445 0.131413} H2 5403 0.0 -1 1 {} H 0.0 {0.515077 0.142567 0.800214} H3 5404 0.0 -1 8 {} O 0.0 {0.507607 0.104633 0.830875} O3602 5405 0.0 -1 8 {} O 0.0 {0.514726 0.151866 0.808721} O3603 5406 0.0 -1 1 {} H 0.0 {0.44142 0.0947752 0.0322197} H4 5407 0.0 -1 1 {} H 0.0 {0.445462 0.0939868 0.873699} H5 5408 0.0 -1 8 {} O 0.0 {0.445458 0.0940134 0.0407147} O3604 5409 0.0 -1 8 {} O 0.0 {0.396693 0.103357 0.333664} O3605 5410 0.0 -1 1 {} H 0.0 {0.381829 0.103915 0.770939} H6 5411 0.0 -1 1 {} H 0.0 {0.515766 0.114702 0.974242} H7 5412 0.0 -1 8 {} O 0.0 {0.425877 0.086899 0.0230187} O3606 5413 0.0 -1 8 {} O 0.0 {0.477995 0.165107 0.781285} O3607 5414 0.0 -1 1 {} H 0.0 {0.389261 0.117527 0.178737} H8 5415 0.0 -1 1 {} H 0.0 {0.282159 0.117108 0.340964} H9 5416 0.0 -1 8 {} O 0.0 {0.389719 0.123941 0.142505} O3608 5417 0.0 -1 8 {} O 0.0 {0.491335 0.121688 0.00292936} O3609 5418 0.0 -1 1 {} H 0.0 {0.415746 0.126569 0.644121} H10 5419 0.0 -1 1 {} H 0.0 {0.275569 0.0982377 0.192477} H11 5420 0.0 -1 8 {} O 0.0 {0.368944 0.0873285 0.0199216} O3610 5421 0.0 -1 8 {} O 0.0 {0.208662 0.116094 0.216518} O3611 5422 0.0 -1 1 {} H 0.0 {0.318014 0.132596 0.393702} H12 5423 0.0 -1 1 {} H 0.0 {0.238708 0.114039 0.929366} H13 5424 0.0 -1 8 {} O 0.0 {0.326018 0.0923738 0.0338608} O3612 5425 0.0 -1 8 {} O 0.0 {0.15593 0.960192 0.787555} O3613 5426 0.0 -1 1 {} H 0.0 {0.265992 0.129523 0.14743} H14 5427 0.0 -1 8 {} O 0.0 {0.264867 0.132143 0.190408} O3614 5428 0.0 -1 1 {} H 0.0 {0.464535 0.193454 0.751823} H15 5429 0.0 -1 1 {} H 0.0 {0.680205 0.93057 0.355273} H16 5430 0.0 -1 1 {} H 0.0 {0.342235 0.102128 0.526823} H17 5431 0.0 -1 1 {} H 0.0 {0.496535 0.808686 0.814308} H18 5432 0.0 -1 8 {} O 0.0 {0.344539 0.108954 0.536555} O3615 5433 0.0 -1 1 {} H 0.0 {0.542718 0.131937 0.794751} H19 5434 0.0 -1 1 {} H 0.0 {0.537879 0.182401 0.726277} H20 5435 0.0 -1 8 {} O 0.0 {0.776233 0.924334 0.044914} O3616 5436 0.0 -1 8 {} O 0.0 {0.557883 0.175983 0.0143497} O3617 5437 0.0 -1 1 {} H 0.0 {0.509756 0.125564 0.112256} H21 5438 0.0 -1 1 {} H 0.0 {0.49019 0.158039 0.264009} H22 5439 0.0 -1 1 {} H 0.0 {0.611201 0.187603 0.469004} H23 5440 0.0 -1 1 {} H 0.0 {0.630339 0.168995 0.777826} H24 5441 0.0 -1 1 {} H 0.0 {0.418618 0.137951 0.113196} H25 5442 0.0 -1 1 {} H 0.0 {0.379581 0.105176 0.941381} H26 5443 0.0 -1 1 {} H 0.0 {0.516993 0.152633 0.571494} H27 5444 0.0 -1 1 {} H 0.0 {0.484216 0.196377 0.504576} H28 5445 0.0 -1 1 {} H 0.0 {0.537747 0.119452 0.447816} H29 5446 0.0 -1 1 {} H 0.0 {0.556993 0.159479 0.54929} H30 5447 0.0 -1 1 {} H 0.0 {0.49124 0.10315 0.677052} H31 5448 0.0 -1 8 {} O 0.0 {0.589583 0.139585 0.30542} O3618 5449 0.0 -1 8 {} O 0.0 {0.519389 0.155278 0.609532} O3619 5450 0.0 -1 8 {} O 0.0 {0.70898 0.105613 0.873326} O3620 5451 0.0 -1 1 {} H 0.0 {0.449869 0.205505 0.0686355} H32 5452 0.0 -1 1 {} H 0.0 {0.552827 0.199998 0.579095} H33 5453 0.0 -1 1 {} H 0.0 {0.391069 0.139597 0.207725} H34 5454 0.0 -1 1 {} H 0.0 {0.526422 0.159265 0.559257} H35 5455 0.0 -1 1 {} H 0.0 {0.46796 0.188626 0.951873} H36 5456 0.0 -1 1 {} H 0.0 {0.348076 0.107231 0.523067} H37 5457 0.0 -1 8 {} O 0.0 {0.417336 0.147073 0.116043} O3621 5458 0.0 -1 8 {} O 0.0 {0.545687 0.106772 0.315959} O3622 5459 0.0 -1 8 {} O 0.0 {0.479962 0.109726 0.854384} O3623 5460 0.0 -1 8 {} O 0.0 {0.398576 0.92666 0.0278066} O3624 5461 0.0 -1 8 {} O 0.0 {0.689878 0.120801 0.355167} O3625 5462 0.0 -1 1 {} H 0.0 {0.556609 0.18639 0.797273} H38 5463 0.0 -1 1 {} H 0.0 {0.39415 0.113005 0.491547} H39 5464 0.0 -1 1 {} H 0.0 {0.490881 0.110606 0.78263} H40 5465 0.0 -1 1 {} H 0.0 {0.393643 0.0994721 0.356984} H41 5466 0.0 -1 1 {} H 0.0 {0.464177 0.198114 0.919175} H42 5467 0.0 -1 1 {} H 0.0 {0.33612 0.0937468 0.268873} H43 5468 0.0 -1 1 {} H 0.0 {0.568999 0.105586 0.172773} H44 5469 0.0 -1 1 {} H 0.0 {0.647959 0.125411 0.307298} H45 5470 0.0 -1 1 {} H 0.0 {0.565664 0.0859527 0.873984} H46 5471 0.0 -1 1 {} H 0.0 {0.466769 0.164887 0.400831} H47 5472 0.0 -1 1 {} H 0.0 {0.443765 0.0945964 0.349695} H48 5473 0.0 -1 8 {} O 0.0 {0.517132 0.123459 0.964165} O3626 5474 0.0 -1 8 {} O 0.0 {0.571277 0.102461 0.137055} O3627 5475 0.0 -1 8 {} O 0.0 {0.568466 0.0907756 0.893014} O3628 5476 0.0 -1 1 {} H 0.0 {0.421021 0.154673 0.403943} H49 5477 0.0 -1 1 {} H 0.0 {0.564538 0.1268 0.70631} H50 5478 0.0 -1 1 {} H 0.0 {0.708788 0.906958 0.554671} H51 5479 0.0 -1 1 {} H 0.0 {0.457366 0.107514 0.705328} H52 5480 0.0 -1 1 {} H 0.0 {0.535977 0.782039 0.974605} H53 5481 0.0 -1 1 {} H 0.0 {0.489204 0.0961248 0.578036} H54 5482 0.0 -1 8 {} O 0.0 {0.651475 0.130519 0.303066} O3629 5483 0.0 -1 8 {} O 0.0 {0.616862 0.212757 0.456381} O3630 5484 0.0 -1 8 {} O 0.0 {0.334527 0.0969153 0.312088} O3631 5485 0.0 -1 8 {} O 0.0 {0.569087 0.178518 0.496216} O3632 5486 0.0 -1 8 {} O 0.0 {0.510294 0.134883 0.0992867} O3633 5487 0.0 -1 1 {} H 0.0 {0.381145 0.124703 0.873302} H55 5488 0.0 -1 1 {} H 0.0 {0.244673 0.0934718 0.292278} H56 5489 0.0 -1 1 {} H 0.0 {0.496807 0.856219 0.184746} H57 5490 0.0 -1 1 {} H 0.0 {0.387066 0.144718 0.890221} H58 5491 0.0 -1 1 {} H 0.0 {0.493922 0.128173 0.0137549} H59 5492 0.0 -1 1 {} H 0.0 {0.469391 0.0914439 0.955562} H60 5493 0.0 -1 1 {} H 0.0 {0.484184 0.218094 0.757757} H61 5494 0.0 -1 1 {} H 0.0 {0.544636 0.0948886 0.967372} H62 5495 0.0 -1 1 {} H 0.0 {0.531179 0.12588 0.325066} H63 5496 0.0 -1 1 {} H 0.0 {0.337305 0.0993124 0.143948} H64 5497 0.0 -1 1 {} H 0.0 {0.429577 0.102457 0.419069} H65 5498 0.0 -1 8 {} O 0.0 {0.278503 0.120126 0.330481} O3634 5499 0.0 -1 8 {} O 0.0 {0.480768 0.213459 0.759614} O3635 5500 0.0 -1 8 {} O 0.0 {0.564371 0.133978 0.673443} O3636 5501 0.0 -1 1 {} H 0.0 {0.256059 0.121583 0.0398404} H66 5502 0.0 -1 1 {} H 0.0 {0.499126 0.0966384 0.949871} H67 5503 0.0 -1 1 {} H 0.0 {0.426588 0.135608 0.726793} H68 5504 0.0 -1 1 {} H 0.0 {0.440139 0.828835 0.0988463} H69 5505 0.0 -1 1 {} H 0.0 {0.439068 0.13001 0.181826} H70 5506 0.0 -1 1 {} H 0.0 {0.588311 0.134215 0.814861} H71 5507 0.0 -1 8 {} O 0.0 {0.256673 0.114177 0.010554} O3637 5508 0.0 -1 8 {} O 0.0 {0.467065 0.0959842 0.560207} O3638 5509 0.0 -1 8 {} O 0.0 {0.436899 0.1262 0.659234} O3639 5510 0.0 -1 8 {} O 0.0 {0.53192 0.844874 0.780984} O3640 5511 0.0 -1 8 {} O 0.0 {0.379099 0.109617 0.794047} O3641 5512 0.0 -1 1 {} H 0.0 {0.432726 0.180121 0.01585} H72 5513 0.0 -1 1 {} H 0.0 {0.444525 0.842255 0.295987} H73 5514 0.0 -1 1 {} H 0.0 {0.486853 0.908062 0.754247} H74 5515 0.0 -1 1 {} H 0.0 {0.482278 0.142449 0.0888103} H75 5516 0.0 -1 1 {} H 0.0 {0.348338 0.108457 0.224804} H76 5517 0.0 -1 1 {} H 0.0 {0.347565 0.078796 0.957432} H77 5518 0.0 -1 1 {} H 0.0 {0.479267 0.0959049 0.622998} H78 5519 0.0 -1 1 {} H 0.0 {0.43603 0.135001 0.63832} H79 5520 0.0 -1 1 {} H 0.0 {0.516798 0.809049 0.311036} H80 5521 0.0 -1 1 {} H 0.0 {0.550666 0.147745 0.762133} H81 5522 0.0 -1 1 {} H 0.0 {0.381893 0.0944553 0.359593} H82 5523 0.0 -1 8 {} O 0.0 {0.525741 0.10736 0.797617} O3642 5524 0.0 -1 8 {} O 0.0 {0.47856 0.100222 0.663457} O3643 5525 0.0 -1 8 {} O 0.0 {0.47653 0.898122 0.202932} O3644 5526 0.0 -1 1 {} H 0.0 {0.376056 0.114802 0.136709} H83 5527 0.0 -1 1 {} H 0.0 {0.546795 0.155412 0.183049} H84 5528 0.0 -1 1 {} H 0.0 {0.920811 0.116939 0.689895} H85 5529 0.0 -1 1 {} H 0.0 {0.303449 0.0980749 0.697925} H86 5530 0.0 -1 1 {} H 0.0 {0.664058 0.919916 0.917802} H87 5531 0.0 -1 1 {} H 0.0 {0.370052 0.112112 0.153187} H88 5532 0.0 -1 8 {} O 0.0 {0.373596 0.111619 0.173029} O3645 5533 0.0 -1 8 {} O 0.0 {0.439207 0.138685 0.201021} O3646 5534 0.0 -1 8 {} O 0.0 {0.186049 0.11137 0.240295} O3647 5535 0.0 -1 8 {} O 0.0 {0.586086 0.897121 0.578939} O3648 5536 0.0 -1 8 {} O 0.0 {0.469442 0.0938348 0.909572} O3649 5537 0.0 -1 1 {} H 0.0 {0.439911 0.137178 0.383401} H89 5538 0.0 -1 1 {} H 0.0 {0.465833 0.849692 0.368143} H90 5539 0.0 -1 1 {} H 0.0 {0.418421 0.901205 0.284925} H91 5540 0.0 -1 1 {} H 0.0 {0.207689 0.111127 0.256196} H92 5541 0.0 -1 1 {} H 0.0 {0.188071 0.107221 0.20796} H93 5542 0.0 -1 1 {} H 0.0 {0.279129 0.101881 0.825286} H94 5543 0.0 -1 1 {} H 0.0 {0.312841 0.130699 0.928603} H95 5544 0.0 -1 1 {} H 0.0 {0.297761 0.13091 0.782615} H96 5545 0.0 -1 1 {} H 0.0 {0.337639 0.0527338 0.0811075} H97 5546 0.0 -1 1 {} H 0.0 {0.317236 0.123566 0.336464} H98 5547 0.0 -1 1 {} H 0.0 {0.362376 0.0836588 0.317893} H99 5548 0.0 -1 8 {} O 0.0 {0.529937 0.101956 0.175926} O3650 5549 0.0 -1 8 {} O 0.0 {0.315395 0.130408 0.360845} O3651 5550 0.0 -1 8 {} O 0.0 {0.348535 0.0991478 0.239516} O3652 5551 0.0 -1 1 {} H 0.0 {0.235054 0.10269 0.652179} H100 5552 0.0 -1 1 {} H 0.0 {0.238775 0.104404 0.592098} H101 5553 0.0 -1 1 {} H 0.0 {0.521325 0.795973 0.378995} H102 5554 0.0 -1 1 {} H 0.0 {0.427342 0.84805 0.83965} H103 5555 0.0 -1 1 {} H 0.0 {0.43814 0.860121 0.700234} H104 5556 0.0 -1 1 {} H 0.0 {0.405615 0.150205 0.0213334} H105 5557 0.0 -1 8 {} O 0.0 {0.541505 0.80324 0.693856} O3653 5558 0.0 -1 8 {} O 0.0 {0.30089 0.13666 0.777031} O3654 5559 0.0 -1 8 {} O 0.0 {0.581686 0.21331 0.0168306} O3655 5560 0.0 -1 8 {} O 0.0 {0.592419 0.860992 0.936322} O3656 5561 0.0 -1 8 {} O 0.0 {0.336406 0.100229 0.974539} O3657 5562 0.0 -1 1 {} H 0.0 {0.214701 0.0956044 0.302629} H106 5563 0.0 -1 1 {} H 0.0 {0.383279 0.149484 0.587281} H107 5564 0.0 -1 1 {} H 0.0 {0.483508 0.843572 0.907347} H108 5565 0.0 -1 1 {} H 0.0 {0.184126 0.107085 0.526869} H109 5566 0.0 -1 1 {} H 0.0 {0.150294 0.10396 0.593717} H110 5567 0.0 -1 1 {} H 0.0 {0.14506 0.0904033 0.916851} H111 5568 0.0 -1 1 {} H 0.0 {0.303567 0.122123 0.155879} H112 5569 0.0 -1 1 {} H 0.0 {0.209895 0.0986367 0.953972} H113 5570 0.0 -1 1 {} H 0.0 {0.287816 0.946528 0.731574} H114 5571 0.0 -1 1 {} H 0.0 {0.298007 0.131322 0.154967} H115 5572 0.0 -1 1 {} H 0.0 {0.27109 0.093591 0.00214169} H116 5573 0.0 -1 8 {} O 0.0 {0.238236 0.107671 0.636242} O3658 5574 0.0 -1 8 {} O 0.0 {0.301362 0.129146 0.130208} O3659 5575 0.0 -1 8 {} O 0.0 {0.155972 0.118721 0.352977} O3660 5576 0.0 -1 1 {} H 0.0 {0.384841 0.155903 0.651625} H117 5577 0.0 -1 1 {} H 0.0 {0.144978 0.104492 0.988909} H118 5578 0.0 -1 1 {} H 0.0 {0.472919 0.836663 0.739133} H119 5579 0.0 -1 1 {} H 0.0 {0.680483 0.13435 0.169448} H120 5580 0.0 -1 1 {} H 0.0 {0.369666 0.934799 0.143114} H121 5581 0.0 -1 1 {} H 0.0 {0.223485 0.100593 0.664913} H122 5582 0.0 -1 8 {} O 0.0 {0.384955 0.157099 0.603881} O3661 5583 0.0 -1 8 {} O 0.0 {0.31621 0.944961 0.824634} O3662 5584 0.0 -1 8 {} O 0.0 {0.226852 0.102155 0.337888} O3663 5585 0.0 -1 8 {} O 0.0 {0.442637 0.846791 0.330192} O3664 5586 0.0 -1 8 {} O 0.0 {0.581281 0.201897 0.00759006} O3665 5587 0.0 -1 1 {} H 0.0 {0.321242 0.0807458 0.226537} H123 5588 0.0 -1 1 {} H 0.0 {0.482618 0.191242 0.655419} H124 5589 0.0 -1 8 {} O 0.0 {0.146885 0.103798 0.0312959} O3666 5590 0.0 -1 1 {} H 0.0 {0.272362 0.109669 0.064735} H125 5591 0.0 -1 1 {} H 0.0 {0.28493 0.0855898 0.631547} H126 5592 0.0 -1 8 {} O 0.0 {0.621931 0.171201 0.936873} O3667 5593 0.0 -1 8 {} O 0.0 {0.271765 0.117184 0.0913501} O3668 5594 0.0 -1 1 {} H 0.0 {0.315138 0.146887 0.958612} H127 5595 0.0 -1 1 {} H 0.0 {0.457415 0.123981 0.118152} H128 5596 0.0 -1 1 {} H 0.0 {0.382186 0.902936 0.57306} H129 5597 0.0 -1 8 {} O 0.0 {0.459823 0.121281 0.15361} O3669 5598 0.0 -1 1 {} H 0.0 {0.574724 0.798089 0.873175} H130 5599 0.0 -1 1 {} H 0.0 {0.535075 0.874204 0.0113078} H131 5600 0.0 -1 8 {} O 0.0 {0.559556 0.827915 0.538519} O3670 5601 0.0 -1 8 {} O 0.0 {0.384652 0.872526 0.946937} O3671 5602 0.0 -1 1 {} H 0.0 {0.586877 0.879709 0.0491532} H132 5603 0.0 -1 1 {} H 0.0 {0.455038 0.836835 0.40161} H133 5604 0.0 -1 1 {} H 0.0 {0.382835 0.912544 0.887602} H134 5605 0.0 -1 1 {} H 0.0 {0.53578 0.106436 0.370398} H135 5606 0.0 -1 1 {} H 0.0 {0.613591 0.886606 0.362794} H136 5607 0.0 -1 1 {} H 0.0 {0.459797 0.111648 0.154196} H137 5608 0.0 -1 1 {} H 0.0 {0.497855 0.0389802 0.350859} H138 5609 0.0 -1 1 {} H 0.0 {0.601747 0.836869 0.898257} H139 5610 0.0 -1 1 {} H 0.0 {0.491751 0.803308 0.587313} H140 5611 0.0 -1 1 {} H 0.0 {0.546477 0.923699 0.291907} H141 5612 0.0 -1 1 {} H 0.0 {0.419104 0.861008 0.229812} H142 5613 0.0 -1 8 {} O 0.0 {0.298779 0.14805 0.653288} O3672 5614 0.0 -1 8 {} O 0.0 {0.619693 0.220982 0.43483} O3673 5615 0.0 -1 8 {} O 0.0 {0.604811 0.838019 0.872967} O3674 5616 0.0 -1 1 {} H 0.0 {0.460689 0.939948 0.842841} H143 5617 0.0 -1 1 {} H 0.0 {0.343023 0.932006 0.662307} H144 5618 0.0 -1 1 {} H 0.0 {0.488412 0.807954 0.702363} H145 5619 0.0 -1 1 {} H 0.0 {0.587268 0.860823 0.790194} H146 5620 0.0 -1 1 {} H 0.0 {0.239843 0.95894 0.455673} H147 5621 0.0 -1 1 {} H 0.0 {0.440947 0.941864 0.846086} H148 5622 0.0 -1 8 {} O 0.0 {0.60819 0.182093 0.468716} O3675 5623 0.0 -1 8 {} O 0.0 {0.564514 0.880715 0.0626163} O3676 5624 0.0 -1 8 {} O 0.0 {0.381264 0.912889 0.842772} O3677 5625 0.0 -1 8 {} O 0.0 {0.496449 0.832547 0.0672348} O3678 5626 0.0 -1 8 {} O 0.0 {0.650137 0.870254 0.961349} O3679 5627 0.0 -1 1 {} H 0.0 {0.530839 0.856037 0.295349} H149 5628 0.0 -1 1 {} H 0.0 {0.552164 0.105056 0.649018} H150 5629 0.0 -1 1 {} H 0.0 {0.534645 0.835061 0.698914} H151 5630 0.0 -1 1 {} H 0.0 {0.245863 0.124252 0.363934} H152 5631 0.0 -1 1 {} H 0.0 {0.4263 0.0286429 0.250291} H153 5632 0.0 -1 1 {} H 0.0 {0.515633 0.172657 0.782567} H154 5633 0.0 -1 1 {} H 0.0 {0.426364 0.0332433 0.218257} H155 5634 0.0 -1 1 {} H 0.0 {0.518705 0.781924 0.948059} H156 5635 0.0 -1 1 {} H 0.0 {0.222465 0.951717 0.707372} H157 5636 0.0 -1 1 {} H 0.0 {0.280388 0.920478 0.409133} H158 5637 0.0 -1 1 {} H 0.0 {0.533349 0.174936 0.0997947} H159 5638 0.0 -1 8 {} O 0.0 {0.376451 0.939897 0.862568} O3680 5639 0.0 -1 8 {} O 0.0 {0.197167 0.119948 0.379691} O3681 5640 0.0 -1 8 {} O 0.0 {0.368036 0.866698 0.369198} O3682 5641 0.0 -1 1 {} H 0.0 {0.648877 0.87277 0.918839} H160 5642 0.0 -1 1 {} H 0.0 {0.504177 0.77919 0.351219} H161 5643 0.0 -1 1 {} H 0.0 {0.47947 0.891416 0.201607} H162 5644 0.0 -1 1 {} H 0.0 {0.50976 0.885448 0.174618} H163 5645 0.0 -1 1 {} H 0.0 {0.43378 0.848334 0.162218} H164 5646 0.0 -1 1 {} H 0.0 {0.372671 0.93711 0.859022} H165 5647 0.0 -1 8 {} O 0.0 {0.516716 0.775505 0.924675} O3683 5648 0.0 -1 8 {} O 0.0 {0.540919 0.903369 0.836613} O3684 5649 0.0 -1 8 {} O 0.0 {0.427703 0.834723 0.990891} O3685 5650 0.0 -1 8 {} O 0.0 {0.465895 0.942576 0.806338} O3686 5651 0.0 -1 8 {} O 0.0 {0.652973 0.123801 0.153834} O3687 5652 0.0 -1 1 {} H 0.0 {0.412942 0.843605 0.248508} H166 5653 0.0 -1 1 {} H 0.0 {0.44063 0.125059 0.642331} H167 5654 0.0 -1 1 {} H 0.0 {0.295141 0.941763 0.811189} H168 5655 0.0 -1 1 {} H 0.0 {0.587076 0.905144 0.556988} H169 5656 0.0 -1 1 {} H 0.0 {0.625556 0.900285 0.932331} H170 5657 0.0 -1 1 {} H 0.0 {0.396494 0.165992 0.9026} H171 5658 0.0 -1 1 {} H 0.0 {0.461633 0.173708 0.36912} H172 5659 0.0 -1 1 {} H 0.0 {0.433658 0.928203 0.0349634} H173 5660 0.0 -1 1 {} H 0.0 {0.456397 0.916293 0.654752} H174 5661 0.0 -1 1 {} H 0.0 {0.414394 0.864074 0.0107434} H175 5662 0.0 -1 1 {} H 0.0 {0.520468 0.143233 0.135247} H176 5663 0.0 -1 8 {} O 0.0 {0.479522 0.869034 0.151196} O3688 5664 0.0 -1 8 {} O 0.0 {0.425009 0.143204 0.703974} O3689 5665 0.0 -1 8 {} O 0.0 {0.453827 0.916913 0.621001} O3690 5666 0.0 -1 1 {} H 0.0 {0.217749 0.951257 0.436167} H177 5667 0.0 -1 1 {} H 0.0 {0.428171 0.853635 0.183711} H178 5668 0.0 -1 1 {} H 0.0 {0.547458 0.804964 0.564134} H179 5669 0.0 -1 1 {} H 0.0 {0.512462 0.806481 0.217882} H180 5670 0.0 -1 1 {} H 0.0 {0.485648 0.933048 0.431479} H181 5671 0.0 -1 1 {} H 0.0 {0.60402 0.92256 0.185306} H182 5672 0.0 -1 8 {} O 0.0 {0.71183 0.910312 0.532322} O3691 5673 0.0 -1 8 {} O 0.0 {0.430274 0.84524 0.181485} O3692 5674 0.0 -1 8 {} O 0.0 {0.526665 0.794327 0.907056} O3693 5675 0.0 -1 8 {} O 0.0 {0.27348 0.947088 0.513606} O3694 5676 0.0 -1 8 {} O 0.0 {0.490816 0.166784 0.285121} O3695 5677 0.0 -1 1 {} H 0.0 {0.603503 0.845688 0.794924} H183 5678 0.0 -1 1 {} H 0.0 {0.43525 0.140897 0.206511} H184 5679 0.0 -1 1 {} H 0.0 {0.366523 0.939621 0.0607195} H185 5680 0.0 -1 1 {} H 0.0 {0.16487 0.0922378 0.567668} H186 5681 0.0 -1 1 {} H 0.0 {0.598478 0.926989 0.750909} H187 5682 0.0 -1 1 {} H 0.0 {0.252892 0.089778 0.242186} H188 5683 0.0 -1 1 {} H 0.0 {0.338936 0.124861 0.432756} H189 5684 0.0 -1 1 {} H 0.0 {0.492735 0.878835 0.817608} H190 5685 0.0 -1 1 {} H 0.0 {0.702265 0.92331 0.734913} H191 5686 0.0 -1 1 {} H 0.0 {0.532055 0.815387 0.514784} H192 5687 0.0 -1 1 {} H 0.0 {0.173519 0.0982553 0.231117} H193 5688 0.0 -1 8 {} O 0.0 {0.601669 0.832465 0.0952286} O3696 5689 0.0 -1 8 {} O 0.0 {0.917625 0.120681 0.681476} O3697 5690 0.0 -1 8 {} O 0.0 {0.4961 0.882373 0.810294} O3698 5691 0.0 -1 1 {} H 0.0 {0.49578 0.892193 0.806907} H194 5692 0.0 -1 1 {} H 0.0 {0.504079 0.866636 0.597699} H195 5693 0.0 -1 1 {} H 0.0 {0.459645 0.846388 0.131225} H196 5694 0.0 -1 1 {} H 0.0 {0.491515 0.838982 0.214324} H197 5695 0.0 -1 1 {} H 0.0 {0.00760082 0.943111 0.330769} H198 5696 0.0 -1 1 {} H 0.0 {0.515121 0.791252 0.63218} H199 5697 0.0 -1 8 {} O 0.0 {0.166283 0.101084 0.568473} O3699 5698 0.0 -1 8 {} O 0.0 {0.698487 0.157478 0.65569} O3700 5699 0.0 -1 8 {} O 0.0 {0.274656 0.934038 0.0501484} O3701 5700 0.0 -1 8 {} O 0.0 {0.623246 0.907681 0.918498} O3702 5701 0.0 -1 8 {} O 0.0 {0.217074 0.110961 0.638097} O3703 5702 0.0 -1 1 {} H 0.0 {0.568048 0.818523 0.237945} H200 5703 0.0 -1 1 {} H 0.0 {0.473465 0.154299 0.999958} H201 5704 0.0 -1 1 {} H 0.0 {0.435711 0.908436 0.382574} H202 5705 0.0 -1 1 {} H 0.0 {0.555489 0.145763 0.963401} H203 5706 0.0 -1 1 {} H 0.0 {0.429251 0.840602 0.899678} H204 5707 0.0 -1 1 {} H 0.0 {0.49883 0.977858 0.303301} H205 5708 0.0 -1 1 {} H 0.0 {0.510232 0.0975769 0.842797} H206 5709 0.0 -1 1 {} H 0.0 {0.632881 0.848118 0.0297284} H207 5710 0.0 -1 1 {} H 0.0 {0.991196 0.942967 0.312473} H208 5711 0.0 -1 1 {} H 0.0 {0.496909 0.982348 0.320643} H209 5712 0.0 -1 1 {} H 0.0 {0.525353 0.797575 0.436217} H210 5713 0.0 -1 8 {} O 0.0 {0.395946 0.937304 0.744502} O3704 5714 0.0 -1 8 {} O 0.0 {0.473098 0.160481 0.964044} O3705 5715 0.0 -1 8 {} O 0.0 {0.732807 0.924021 0.911653} O3706 5716 0.0 -1 1 {} H 0.0 {0.733068 0.92953 0.875384} H211 5717 0.0 -1 1 {} H 0.0 {0.487284 0.855268 0.0564965} H212 5718 0.0 -1 1 {} H 0.0 {0.510294 0.822364 0.646738} H213 5719 0.0 -1 1 {} H 0.0 {0.364868 0.930013 0.817752} H214 5720 0.0 -1 1 {} H 0.0 {0.503686 0.81672 0.323133} H215 5721 0.0 -1 1 {} H 0.0 {0.392743 0.943352 0.737202} H216 5722 0.0 -1 8 {} O 0.0 {0.539277 0.176996 0.868674} O3707 5723 0.0 -1 8 {} O 0.0 {0.504742 0.77563 0.307207} O3708 5724 0.0 -1 8 {} O 0.0 {0.524681 0.854786 0.565797} O3709 5725 0.0 -1 8 {} O 0.0 {0.598223 0.923065 0.706718} O3710 5726 0.0 -1 8 {} O 0.0 {0.52464 0.792636 0.39732} O3711 5727 0.0 -1 1 {} H 0.0 {0.529798 0.121717 0.939252} H217 5728 0.0 -1 1 {} H 0.0 {0.234121 0.126089 0.130878} H218 5729 0.0 -1 1 {} H 0.0 {0.536821 0.852898 0.507579} H219 5730 0.0 -1 1 {} H 0.0 {0.31555 0.936037 0.840914} H220 5731 0.0 -1 1 {} H 0.0 {0.093102 0.958627 0.371277} H221 5732 0.0 -1 1 {} H 0.0 {0.314799 0.932376 0.0845985} H222 5733 0.0 -1 1 {} H 0.0 {0.284315 0.108775 0.683577} H223 5734 0.0 -1 1 {} H 0.0 {0.55598 0.899848 0.961818} H224 5735 0.0 -1 1 {} H 0.0 {0.528062 0.893754 0.270831} H225 5736 0.0 -1 1 {} H 0.0 {0.210353 0.130445 0.852098} H226 5737 0.0 -1 1 {} H 0.0 {0.762473 0.949694 0.701612} H227 5738 0.0 -1 8 {} O 0.0 {0.569009 0.863613 0.877966} O3712 5739 0.0 -1 8 {} O 0.0 {0.266483 0.0928079 0.320189} O3713 5740 0.0 -1 8 {} O 0.0 {0.554256 0.900919 0.00104857} O3714 5741 0.0 -1 1 {} H 0.0 {0.48055 0.936044 0.527245} H228 5742 0.0 -1 1 {} H 0.0 {0.502035 0.787887 0.814033} H229 5743 0.0 -1 1 {} H 0.0 {0.417379 0.860217 0.910253} H230 5744 0.0 -1 1 {} H 0.0 {0.488491 0.937056 0.493825} H231 5745 0.0 -1 1 {} H 0.0 {0.80485 0.947779 0.636535} H232 5746 0.0 -1 1 {} H 0.0 {0.537247 0.905597 0.831468} H233 5747 0.0 -1 8 {} O 0.0 {0.282394 0.117037 0.684098} O3715 5748 0.0 -1 8 {} O 0.0 {0.404059 0.850509 0.30497} O3716 5749 0.0 -1 8 {} O 0.0 {0.536531 0.847505 0.549471} O3717 5750 0.0 -1 8 {} O 0.0 {0.430131 0.842548 0.856306} O3718 5751 0.0 -1 8 {} O 0.0 {0.759968 0.942851 0.703853} O3719 5752 0.0 -1 1 {} H 0.0 {0.504709 0.749205 0.0734619} H234 5753 0.0 -1 1 {} H 0.0 {0.577802 0.853393 0.231458} H235 5754 0.0 -1 1 {} H 0.0 {0.670048 0.0334374 0.219824} H236 5755 0.0 -1 8 {} O 0.0 {0.535705 0.879678 0.049213} O3720 5756 0.0 -1 1 {} H 0.0 {0.753902 0.948864 0.685769} H237 5757 0.0 -1 1 {} H 0.0 {0.279235 0.115236 0.658431} H238 5758 0.0 -1 8 {} O 0.0 {0.504261 0.783831 0.845419} O3721 5759 0.0 -1 8 {} O 0.0 {0.0969452 0.963024 0.430373} O3722 5760 0.0 -1 1 {} H 0.0 {0.502568 0.905704 0.636039} H239 5761 0.0 -1 8 {} O 0.0 {0.722391 0.916281 0.959882} O3723 5762 0.0 -1 1 {} H 0.0 {0.392535 0.940223 0.524409} H240 5763 0.0 -1 1 {} H 0.0 {0.491094 0.904093 0.10254} H241 5764 0.0 -1 1 {} H 0.0 {0.422728 0.86976 0.0574441} H242 5765 0.0 -1 1 {} H 0.0 {0.660291 0.90773 0.642688} H243 5766 0.0 -1 8 {} O 0.0 {0.419598 0.874657 0.060128} O3724 5767 0.0 -1 1 {} H 0.0 {0.528932 0.905439 0.642635} H244 5768 0.0 -1 1 {} H 0.0 {0.484727 0.925292 0.883935} H245 5769 0.0 -1 1 {} H 0.0 {0.513218 0.855618 0.273747} H246 5770 0.0 -1 1 {} H 0.0 {0.509582 0.863606 0.22903} H247 5771 0.0 -1 8 {} O 0.0 {0.510674 0.85478 0.23798} O3725 5772 0.0 -1 1 {} H 0.0 {0.564558 0.860365 0.536519} H248 5773 0.0 -1 1 {} H 0.0 {0.526804 0.786404 0.877269} H249 5774 0.0 -1 1 {} H 0.0 {0.639429 0.917882 0.443602} H250 5775 0.0 -1 1 {} H 0.0 {0.615411 0.912029 0.573414} H251 5776 0.0 -1 8 {} O 0.0 {0.58948 0.844602 0.414949} O3726 5777 0.0 -1 1 {} H 0.0 {0.48194 0.914506 0.722436} H252 5778 0.0 -1 1 {} H 0.0 {0.343309 0.930047 0.824375} H253 5779 0.0 -1 1 {} H 0.0 {0.582504 0.868485 0.0342903} H254 5780 0.0 -1 1 {} H 0.0 {0.672101 0.888596 0.228711} H255 5781 0.0 -1 8 {} O 0.0 {0.484216 0.906727 0.721417} O3727 5782 0.0 -1 1 {} H 0.0 {0.492635 0.843626 0.716856} H256 5783 0.0 -1 1 {} H 0.0 {0.528313 0.853204 0.556421} H257 5784 0.0 -1 1 {} H 0.0 {0.230997 0.941716 0.216311} H258 5785 0.0 -1 1 {} H 0.0 {0.232664 0.941853 0.429107} H259 5786 0.0 -1 8 {} O 0.0 {0.229982 0.93671 0.405374} O3728 5787 0.0 -1 1 {} H 0.0 {0.444923 0.83919 0.911988} H260 5788 0.0 -1 1 {} H 0.0 {0.539887 0.850176 0.568709} H261 5789 0.0 -1 1 {} H 0.0 {0.426721 0.930065 0.796132} H262 5790 0.0 -1 1 {} H 0.0 {0.454194 0.89499 0.244484} H263 5791 0.0 -1 8 {} O 0.0 {0.634885 0.889438 0.177429} O3729 5792 0.0 -1 1 {} H 0.0 {0.512208 0.846461 0.871212} H264 5793 0.0 -1 1 {} H 0.0 {0.56579 0.171128 0.686268} H265 5794 0.0 -1 1 {} H 0.0 {0.706849 0.0982357 0.857208} H266 5795 0.0 -1 1 {} H 0.0 {0.567917 0.20592 0.846887} H267 5796 0.0 -1 1 {} H 0.0 {0.496326 0.143938 0.715968} H268 5797 0.0 -1 8 {} O 0.0 {0.457692 0.167725 0.304877} O3730 5798 0.0 -1 8 {} O 0.0 {0.513541 0.182095 0.898683} O3731 5799 0.0 -1 1 {} H 0.0 {0.505835 0.17997 0.0564761} H269 5800 0.0 -1 1 {} H 0.0 {0.493015 0.148864 0.900652} H270 5801 0.0 -1 1 {} H 0.0 {0.446031 0.0984308 0.944172} H271 5802 0.0 -1 1 {} H 0.0 {0.301126 0.0932069 0.526512} H272 5803 0.0 -1 1 {} H 0.0 {0.480098 0.18051 0.174711} H273 5804 0.0 -1 1 {} H 0.0 {0.631411 0.13866 0.228644} H274 5805 0.0 -1 1 {} H 0.0 {0.533153 0.173112 0.283094} H275 5806 0.0 -1 1 {} H 0.0 {0.54084 0.185716 0.0456368} H276 5807 0.0 -1 1 {} H 0.0 {0.484477 0.080265 0.297458} H277 5808 0.0 -1 1 {} H 0.0 {0.496675 0.0968004 0.173483} H278 5809 0.0 -1 1 {} H 0.0 {0.17007 0.106897 0.868407} H279 5810 0.0 -1 8 {} O 0.0 {0.534856 0.179221 0.249052} O3732 5811 0.0 -1 8 {} O 0.0 {0.167512 0.114252 0.874429} O3733 5812 0.0 -1 8 {} O 0.0 {0.487722 0.0831613 0.320852} O3734 5813 0.0 -1 1 {} H 0.0 {0.47264 0.169467 0.986951} H280 5814 0.0 -1 1 {} H 0.0 {0.464337 0.0909157 0.344148} H281 5815 0.0 -1 1 {} H 0.0 {0.518639 0.184127 0.259369} H282 5816 0.0 -1 1 {} H 0.0 {0.443091 0.194659 0.0529634} H283 5817 0.0 -1 1 {} H 0.0 {0.484784 0.0842305 0.974324} H284 5818 0.0 -1 1 {} H 0.0 {0.504309 0.0882675 0.360322} H285 5819 0.0 -1 8 {} O 0.0 {0.49001 0.1109 0.698784} O3735 5820 0.0 -1 8 {} O 0.0 {0.535093 0.108591 0.322903} O3736 5821 0.0 -1 8 {} O 0.0 {0.464466 0.18079 0.223441} O3737 5822 0.0 -1 8 {} O 0.0 {0.487733 0.0858089 0.00544952} O3738 5823 0.0 -1 8 {} O 0.0 {0.507657 0.0828771 0.35161} O3739 5824 0.0 -1 1 {} H 0.0 {0.481894 0.105325 0.0552761} H286 5825 0.0 -1 1 {} H 0.0 {0.486147 0.108527 0.704588} H287 5826 0.0 -1 1 {} H 0.0 {0.373913 0.133963 0.740864} H288 5827 0.0 -1 1 {} H 0.0 {0.390896 0.149621 0.843258} H289 5828 0.0 -1 1 {} H 0.0 {0.327141 0.113497 0.7362} H290 5829 0.0 -1 1 {} H 0.0 {0.425509 0.11611 0.144571} H291 5830 0.0 -1 1 {} H 0.0 {0.69542 0.168086 0.321907} H292 5831 0.0 -1 1 {} H 0.0 {0.550739 0.199243 0.728948} H293 5832 0.0 -1 1 {} H 0.0 {0.546545 0.170675 0.275272} H294 5833 0.0 -1 1 {} H 0.0 {0.480815 0.209222 0.801484} H295 5834 0.0 -1 1 {} H 0.0 {0.647722 0.153748 0.823825} H296 5835 0.0 -1 8 {} O 0.0 {0.468166 0.0873402 0.347888} O3740 5836 0.0 -1 8 {} O 0.0 {0.447135 0.100371 0.90147} O3741 5837 0.0 -1 8 {} O 0.0 {0.430361 0.114218 0.5724} O3742 5838 0.0 -1 1 {} H 0.0 {0.395104 0.103108 0.288783} H297 5839 0.0 -1 1 {} H 0.0 {0.531261 0.155495 0.508738} H298 5840 0.0 -1 1 {} H 0.0 {0.415251 0.146437 0.157221} H299 5841 0.0 -1 1 {} H 0.0 {0.559332 0.0902673 0.00743592} H300 5842 0.0 -1 1 {} H 0.0 {0.453401 0.0942842 0.193946} H301 5843 0.0 -1 1 {} H 0.0 {0.478364 0.0940894 0.200256} H302 5844 0.0 -1 8 {} O 0.0 {0.533036 0.150227 0.424861} O3743 5845 0.0 -1 8 {} O 0.0 {0.530772 0.172213 0.133488} O3744 5846 0.0 -1 8 {} O 0.0 {0.556323 0.0946624 0.99152} O3745 5847 0.0 -1 8 {} O 0.0 {0.390451 0.149803 0.888649} O3746 5848 0.0 -1 8 {} O 0.0 {0.376278 0.106953 0.966265} O3747 5849 0.0 -1 1 {} H 0.0 {0.470755 0.137091 0.0440647} H303 5850 0.0 -1 1 {} H 0.0 {0.531947 0.143136 0.394492} H304 5851 0.0 -1 1 {} H 0.0 {0.42405 0.095101 0.00892812} H305 5852 0.0 -1 1 {} H 0.0 {0.219488 0.128161 0.433552} H306 5853 0.0 -1 1 {} H 0.0 {0.443317 0.114974 0.875168} H307 5854 0.0 -1 1 {} H 0.0 {0.52651 0.168127 0.96255} H308 5855 0.0 -1 1 {} H 0.0 {0.322201 0.104148 0.763837} H309 5856 0.0 -1 1 {} H 0.0 {0.433421 0.093647 0.196111} H310 5857 0.0 -1 1 {} H 0.0 {0.423001 0.114361 0.520721} H311 5858 0.0 -1 1 {} H 0.0 {0.439247 0.183801 0.651668} H312 5859 0.0 -1 1 {} H 0.0 {0.498838 0.114242 0.47258} H313 5860 0.0 -1 8 {} O 0.0 {0.446841 0.0890319 0.344785} O3748 5861 0.0 -1 8 {} O 0.0 {0.496447 0.120907 0.454986} O3749 5862 0.0 -1 8 {} O 0.0 {0.438479 0.192021 0.634614} O3750 5863 0.0 -1 1 {} H 0.0 {0.441875 0.195764 0.624916} H314 5864 0.0 -1 1 {} H 0.0 {0.391859 0.156851 0.565041} H315 5865 0.0 -1 1 {} H 0.0 {0.559506 0.220859 0.460363} H316 5866 0.0 -1 1 {} H 0.0 {0.198363 0.119983 0.694491} H317 5867 0.0 -1 1 {} H 0.0 {0.256 0.139082 0.280247} H318 5868 0.0 -1 1 {} H 0.0 {0.43161 0.104952 0.562677} H319 5869 0.0 -1 8 {} O 0.0 {0.395271 0.158444 0.541141} O3751 5870 0.0 -1 8 {} O 0.0 {0.596409 0.235718 0.523242} O3752 5871 0.0 -1 8 {} O 0.0 {0.195414 0.121924 0.717985} O3753 5872 0.0 -1 8 {} O 0.0 {0.217238 0.129556 0.467985} O3754 5873 0.0 -1 8 {} O 0.0 {0.323822 0.108286 0.725938} O3755 5874 0.0 -1 1 {} H 0.0 {0.417433 0.098961 0.514117} H320 5875 0.0 -1 1 {} H 0.0 {0.397803 0.158207 0.573957} H321 5876 0.0 -1 1 {} H 0.0 {0.427795 0.175493 0.90803} H322 5877 0.0 -1 1 {} H 0.0 {0.41764 0.147107 0.543306} H323 5878 0.0 -1 1 {} H 0.0 {0.444543 0.145089 0.467976} H324 5879 0.0 -1 1 {} H 0.0 {0.301725 0.121371 0.0517767} H325 5880 0.0 -1 1 {} H 0.0 {0.412659 0.0942818 0.199573} H326 5881 0.0 -1 1 {} H 0.0 {0.304097 0.103984 0.205551} H327 5882 0.0 -1 1 {} H 0.0 {0.252121 0.111894 0.856091} H328 5883 0.0 -1 1 {} H 0.0 {0.428243 0.172399 0.0443157} H329 5884 0.0 -1 1 {} H 0.0 {0.484805 0.179536 0.269013} H330 5885 0.0 -1 8 {} O 0.0 {0.428535 0.0955539 0.384616} O3756 5886 0.0 -1 8 {} O 0.0 {0.46332 0.147324 0.661942} O3757 5887 0.0 -1 8 {} O 0.0 {0.40588 0.0896326 0.342247} O3758 5888 0.0 -1 1 {} H 0.0 {0.402669 0.0956109 0.342414} H331 5889 0.0 -1 1 {} H 0.0 {0.435179 0.104167 0.339376} H332 5890 0.0 -1 1 {} H 0.0 {0.288275 0.0998778 0.380341} H333 5891 0.0 -1 1 {} H 0.0 {0.588386 0.200085 0.149913} H334 5892 0.0 -1 1 {} H 0.0 {0.393804 0.0901151 0.199824} H335 5893 0.0 -1 1 {} H 0.0 {0.446257 0.126295 0.845284} H336 5894 0.0 -1 8 {} O 0.0 {0.438401 0.107419 0.318291} O3759 5895 0.0 -1 8 {} O 0.0 {0.254215 0.120024 0.865257} O3760 5896 0.0 -1 8 {} O 0.0 {0.381022 0.132807 0.895944} O3761 5897 0.0 -1 8 {} O 0.0 {0.415856 0.154866 0.529759} O3762 5898 0.0 -1 8 {} O 0.0 {0.442775 0.1239 0.857451} O3763 5899 0.0 -1 1 {} H 0.0 {0.270579 0.104455 0.25556} H337 5900 0.0 -1 1 {} H 0.0 {0.437888 0.103817 0.275955} H338 5901 0.0 -1 1 {} H 0.0 {0.29601 0.0993343 0.718297} H339 5902 0.0 -1 1 {} H 0.0 {0.404271 0.096267 0.0314018} H340 5903 0.0 -1 1 {} H 0.0 {0.470046 0.131347 0.502738} H341 5904 0.0 -1 1 {} H 0.0 {0.279942 0.0931877 0.991595} H342 5905 0.0 -1 1 {} H 0.0 {0.504614 0.165743 0.643108} H343 5906 0.0 -1 1 {} H 0.0 {0.451579 0.20134 0.162182} H344 5907 0.0 -1 1 {} H 0.0 {0.358551 0.10216 0.971151} H345 5908 0.0 -1 1 {} H 0.0 {0.317236 0.0934386 0.875618} H346 5909 0.0 -1 1 {} H 0.0 {0.290193 0.126337 0.210722} H347 5910 0.0 -1 8 {} O 0.0 {0.385868 0.0922623 0.366185} O3764 5911 0.0 -1 8 {} O 0.0 {0.387471 0.0893391 0.0254405} O3765 5912 0.0 -1 8 {} O 0.0 {0.18691 0.112147 0.543868} O3766 5913 0.0 -1 1 {} H 0.0 {0.187132 0.10964 0.58833} H348 5914 0.0 -1 1 {} H 0.0 {0.203774 0.143525 0.92501} H349 5915 0.0 -1 1 {} H 0.0 {0.408537 0.150356 0.241554} H350 5916 0.0 -1 1 {} H 0.0 {0.304657 0.0835532 0.294475} H351 5917 0.0 -1 1 {} H 0.0 {0.375437 0.0942621 0.197652} H352 5918 0.0 -1 1 {} H 0.0 {0.450336 0.144935 0.497538} H353 5919 0.0 -1 8 {} O 0.0 {0.188281 0.101729 0.352382} O3767 5920 0.0 -1 8 {} O 0.0 {0.361507 0.0985862 0.945796} O3768 5921 0.0 -1 8 {} O 0.0 {0.226752 0.116685 0.881546} O3769 5922 0.0 -1 8 {} O 0.0 {0.407926 0.0927206 0.0282029} O3770 5923 0.0 -1 8 {} O 0.0 {0.446539 0.145581 0.507791} O3771 5924 0.0 -1 1 {} H 0.0 {0.532888 0.156092 0.150091} H354 5925 0.0 -1 1 {} H 0.0 {0.217751 0.11929 0.616634} H355 5926 0.0 -1 1 {} H 0.0 {0.236707 0.124352 0.0654223} H356 5927 0.0 -1 1 {} H 0.0 {0.296027 0.142933 0.631998} H357 5928 0.0 -1 1 {} H 0.0 {0.328679 0.0894243 0.318781} H358 5929 0.0 -1 1 {} H 0.0 {0.280855 0.120549 0.0848318} H359 5930 0.0 -1 1 {} H 0.0 {0.216333 0.120173 0.481118} H360 5931 0.0 -1 1 {} H 0.0 {0.440414 0.193768 0.931982} H361 5932 0.0 -1 1 {} H 0.0 {0.365954 0.125594 0.975271} H362 5933 0.0 -1 1 {} H 0.0 {0.215269 0.107472 0.256704} H363 5934 0.0 -1 1 {} H 0.0 {0.441795 0.202364 0.873614} H364 5935 0.0 -1 8 {} O 0.0 {0.364612 0.0870344 0.350234} O3772 5936 0.0 -1 8 {} O 0.0 {0.442193 0.193357 0.890815} O3773 5937 0.0 -1 8 {} O 0.0 {0.36738 0.120602 0.936383} O3774 5938 0.0 -1 1 {} H 0.0 {0.259876 0.10972 0.0265904} H365 5939 0.0 -1 1 {} H 0.0 {0.336155 0.0895599 0.670465} H366 5940 0.0 -1 1 {} H 0.0 {0.326715 0.10016 0.573854} H367 5941 0.0 -1 1 {} H 0.0 {0.523472 0.183156 0.299037} H368 5942 0.0 -1 1 {} H 0.0 {0.160698 0.959447 0.734597} H369 5943 0.0 -1 1 {} H 0.0 {0.465148 0.122732 0.479244} H370 5944 0.0 -1 8 {} O 0.0 {0.338107 0.0969531 0.651352} O3775 5945 0.0 -1 8 {} O 0.0 {0.324384 0.106979 0.563293} O3776 5946 0.0 -1 8 {} O 0.0 {0.51985 0.1861 0.301566} O3777 5947 0.0 -1 8 {} O 0.0 {0.347737 0.093058 0.362696} O3778 5948 0.0 -1 8 {} O 0.0 {0.468895 0.125936 0.467234} O3779 5949 0.0 -1 1 {} H 0.0 {0.271221 0.125544 0.48847} H371 5950 0.0 -1 1 {} H 0.0 {0.37483 0.120858 0.372126} H372 5951 0.0 -1 1 {} H 0.0 {0.338957 0.0934973 0.610537} H373 5952 0.0 -1 1 {} H 0.0 {0.227267 0.117106 0.924869} H374 5953 0.0 -1 8 {} O 0.0 {0.200275 0.144505 0.0424691} O3780 5954 0.0 -1 8 {} O 0.0 {0.204315 0.137002 0.891051} O3781 5955 0.0 -1 1 {} H 0.0 {0.313718 0.0952037 0.980709} H375 5956 0.0 -1 1 {} H 0.0 {0.275136 0.104327 0.468301} H376 5957 0.0 -1 8 {} O 0.0 {0.37395 0.130006 0.378911} O3782 5958 0.0 -1 8 {} O 0.0 {0.325206 0.0853015 0.333106} O3783 5959 0.0 -1 1 {} H 0.0 {0.581308 0.173272 0.634945} H377 5960 0.0 -1 1 {} H 0.0 {0.359566 0.904894 0.679278} H378 5961 0.0 -1 1 {} H 0.0 {0.502703 0.163975 0.325001} H379 5962 0.0 -1 1 {} H 0.0 {0.605196 0.195694 0.824859} H380 5963 0.0 -1 8 {} O 0.0 {0.49639 0.152476 0.908334} O3784 5964 0.0 -1 1 {} H 0.0 {0.467586 0.173637 0.223828} H381 5965 0.0 -1 1 {} H 0.0 {0.686498 0.0943287 0.588639} H382 5966 0.0 -1 1 {} H 0.0 {0.520317 0.146274 0.62661} H383 5967 0.0 -1 8 {} O 0.0 {0.584462 0.106181 0.853984} O3785 5968 0.0 -1 8 {} O 0.0 {0.620598 0.157133 0.0709258} O3786 5969 0.0 -1 8 {} O 0.0 {0.63415 0.142901 0.25643} O3787 5970 0.0 -1 1 {} H 0.0 {0.55142 0.102691 0.372463} H384 5971 0.0 -1 1 {} H 0.0 {0.70873 0.104206 0.920661} H385 5972 0.0 -1 1 {} H 0.0 {0.558581 0.0873143 0.60166} H386 5973 0.0 -1 1 {} H 0.0 {0.461325 0.217526 0.975351} H387 5974 0.0 -1 1 {} H 0.0 {0.589442 0.141883 0.976822} H388 5975 0.0 -1 1 {} H 0.0 {0.438825 0.15035 0.854105} H389 5976 0.0 -1 1 {} H 0.0 {0.522018 0.174123 0.629352} H390 5977 0.0 -1 1 {} H 0.0 {0.473998 0.854151 0.795277} H391 5978 0.0 -1 1 {} H 0.0 {0.54046 0.131904 0.614114} H392 5979 0.0 -1 1 {} H 0.0 {0.64597 0.141438 0.789772} H393 5980 0.0 -1 1 {} H 0.0 {0.288232 0.941624 0.0315199} H394 5981 0.0 -1 1 {} H 0.0 {0.454486 0.139797 0.381078} H395 5982 0.0 -1 1 {} H 0.0 {0.605989 0.101375 0.603626} H396 5983 0.0 -1 1 {} H 0.0 {0.398908 0.927846 0.0738249} H397 5984 0.0 -1 1 {} H 0.0 {0.56083 0.144946 0.164716} H398 5985 0.0 -1 1 {} H 0.0 {0.558981 0.20078 0.78172} H399 5986 0.0 -1 8 {} O 0.0 {0.545467 0.174137 0.557722} O3788 5987 0.0 -1 8 {} O 0.0 {0.594162 0.15033 0.518332} O3789 5988 0.0 -1 8 {} O 0.0 {0.545779 0.179564 0.28729} O3790 5989 0.0 -1 8 {} O 0.0 {0.454037 0.142174 0.338091} O3791 5990 0.0 -1 1 {} H 0.0 {0.454096 0.171535 0.312228} H400 5991 0.0 -1 1 {} H 0.0 {0.548264 0.148263 0.625789} H401 5992 0.0 -1 1 {} H 0.0 {0.358508 0.123379 0.0283928} H402 5993 0.0 -1 1 {} H 0.0 {0.43825 0.199722 0.0198717} H403 5994 0.0 -1 1 {} H 0.0 {0.309731 0.0984167 0.196675} H404 5995 0.0 -1 1 {} H 0.0 {0.434609 0.143197 0.820564} H405 5996 0.0 -1 1 {} H 0.0 {0.394265 0.149787 0.711949} H406 5997 0.0 -1 1 {} H 0.0 {0.622857 0.113407 0.549767} H407 5998 0.0 -1 8 {} O 0.0 {0.609942 0.155199 0.0727715} O3792 5999 0.0 -1 8 {} O 0.0 {0.585646 0.203637 0.699322} O3793 6000 0.0 -1 8 {} O 0.0 {0.361963 0.127564 0.0360256} O3794 6001 0.0 -1 8 {} O 0.0 {0.606077 0.101437 0.555761} O3795 6002 0.0 -1 8 {} O 0.0 {0.307846 0.106492 0.193919} O3796 6003 0.0 -1 8 {} O 0.0 {0.436252 0.151883 0.821964} O3797 6004 0.0 -1 8 {} O 0.0 {0.579959 0.179712 0.666964} O3798 6005 0.0 -1 8 {} O 0.0 {0.558067 0.13998 0.883819} O3799 6006 0.0 -1 1 {} H 0.0 {0.257567 0.131117 0.625779} H408 6007 0.0 -1 1 {} H 0.0 {0.465743 0.112969 0.59901} H409 6008 0.0 -1 1 {} H 0.0 {0.547346 0.114334 0.293836} H410 6009 0.0 -1 1 {} H 0.0 {0.420401 0.137161 0.648951} H411 6010 0.0 -1 1 {} H 0.0 {0.651617 0.114389 0.151535} H412 6011 0.0 -1 1 {} H 0.0 {0.488399 0.0972189 0.199009} H413 6012 0.0 -1 1 {} H 0.0 {0.356828 0.120557 0.728274} H414 6013 0.0 -1 1 {} H 0.0 {0.565893 0.130252 0.634559} H415 6014 0.0 -1 1 {} H 0.0 {0.0759516 0.941367 0.0588154} H416 6015 0.0 -1 1 {} H 0.0 {0.396977 0.112784 0.00924324} H417 6016 0.0 -1 1 {} H 0.0 {0.561359 0.901091 0.389964} H418 6017 0.0 -1 1 {} H 0.0 {0.5003 0.875409 0.926944} H419 6018 0.0 -1 1 {} H 0.0 {0.258909 0.122883 0.564273} H420 6019 0.0 -1 1 {} H 0.0 {0.239911 0.129146 0.381552} H421 6020 0.0 -1 1 {} H 0.0 {0.442568 0.123738 0.315191} H422 6021 0.0 -1 1 {} H 0.0 {0.377076 0.102007 0.813512} H423 6022 0.0 -1 8 {} O 0.0 {0.509444 0.145645 0.537879} O3800 6023 0.0 -1 8 {} O 0.0 {0.397835 0.106175 0.0421463} O3801 6024 0.0 -1 8 {} O 0.0 {0.560917 0.891074 0.394261} O3802 6025 0.0 -1 8 {} O 0.0 {0.258272 0.131935 0.578742} O3803 6026 0.0 -1 1 {} H 0.0 {0.491671 0.133335 0.391827} H424 6027 0.0 -1 1 {} H 0.0 {0.479625 0.164676 0.821399} H425 6028 0.0 -1 1 {} H 0.0 {0.491981 0.102279 0.249564} H426 6029 0.0 -1 1 {} H 0.0 {0.471452 0.93887 0.833688} H427 6030 0.0 -1 1 {} H 0.0 {0.597488 0.111222 0.987583} H428 6031 0.0 -1 1 {} H 0.0 {0.424256 0.183851 0.233393} H429 6032 0.0 -1 1 {} H 0.0 {0.562927 0.208046 0.886916} H430 6033 0.0 -1 1 {} H 0.0 {0.428205 0.125696 0.0961875} H431 6034 0.0 -1 8 {} O 0.0 {0.556935 0.192698 0.760696} O3804 6035 0.0 -1 8 {} O 0.0 {0.464034 0.120548 0.617498} O3805 6036 0.0 -1 8 {} O 0.0 {0.525188 0.128667 0.187345} O3806 6037 0.0 -1 8 {} O 0.0 {0.521783 0.853371 0.0127086} O3807 6038 0.0 -1 8 {} O 0.0 {0.59885 0.11985 0.00403636} O3808 6039 0.0 -1 8 {} O 0.0 {0.579837 0.106143 0.0441848} O3809 6040 0.0 -1 8 {} O 0.0 {0.419039 0.163191 0.403703} O3810 6041 0.0 -1 8 {} O 0.0 {0.424599 0.121877 0.110796} O3811 6042 0.0 -1 1 {} H 0.0 {0.397106 0.12249 0.64534} H432 6043 0.0 -1 1 {} H 0.0 {0.463932 0.13786 0.652637} H433 6044 0.0 -1 1 {} H 0.0 {0.518297 0.119314 0.657646} H434 6045 0.0 -1 1 {} H 0.0 {0.505606 0.105566 0.149479} H435 6046 0.0 -1 1 {} H 0.0 {0.196433 0.118937 0.760643} H436 6047 0.0 -1 1 {} H 0.0 {0.447263 0.146509 0.039421} H437 6048 0.0 -1 1 {} H 0.0 {0.365582 0.106153 0.741281} H438 6049 0.0 -1 1 {} H 0.0 {0.445557 0.821111 0.0893299} H439 6050 0.0 -1 1 {} H 0.0 {0.433147 0.118118 0.6041} H440 6051 0.0 -1 1 {} H 0.0 {0.564387 0.167456 0.134246} H441 6052 0.0 -1 1 {} H 0.0 {0.372919 0.0954503 0.364768} H442 6053 0.0 -1 1 {} H 0.0 {0.48333 0.195295 0.895372} H443 6054 0.0 -1 1 {} H 0.0 {0.446208 0.212375 0.00971501} H444 6055 0.0 -1 1 {} H 0.0 {0.375596 0.09467 0.298311} H445 6056 0.0 -1 1 {} H 0.0 {0.43612 0.161193 0.397304} H446 6057 0.0 -1 1 {} H 0.0 {0.401567 0.172781 0.920719} H447 6058 0.0 -1 8 {} O 0.0 {0.502116 0.1785 0.934101} O3812 6059 0.0 -1 8 {} O 0.0 {0.464614 0.173498 0.401487} O3813 6060 0.0 -1 8 {} O 0.0 {0.375688 0.0997882 0.338404} O3814 6061 0.0 -1 8 {} O 0.0 {0.449371 0.212917 0.0346897} O3815 6062 0.0 -1 1 {} H 0.0 {0.635442 0.150288 0.232118} H448 6063 0.0 -1 1 {} H 0.0 {0.30661 0.0969061 0.576019} H449 6064 0.0 -1 1 {} H 0.0 {0.577534 0.188468 0.246578} H450 6065 0.0 -1 1 {} H 0.0 {0.336421 0.0920708 0.905934} H451 6066 0.0 -1 1 {} H 0.0 {0.51234 0.167447 0.377078} H452 6067 0.0 -1 1 {} H 0.0 {0.448799 0.132181 0.00931686} H453 6068 0.0 -1 1 {} H 0.0 {0.35184 0.111808 0.738503} H454 6069 0.0 -1 1 {} H 0.0 {0.437933 0.134012 0.0398927} H455 6070 0.0 -1 8 {} O 0.0 {0.579022 0.196354 0.220279} O3816 6071 0.0 -1 8 {} O 0.0 {0.54013 0.0944047 0.650524} O3817 6072 0.0 -1 8 {} O 0.0 {0.564435 0.202052 0.851849} O3818 6073 0.0 -1 8 {} O 0.0 {0.416924 0.162127 0.665774} O3819 6074 0.0 -1 8 {} O 0.0 {0.438232 0.14025 0.424687} O3820 6075 0.0 -1 8 {} O 0.0 {0.445849 0.138783 0.0148772} O3821 6076 0.0 -1 8 {} O 0.0 {0.353446 0.117846 0.709764} O3822 6077 0.0 -1 8 {} O 0.0 {0.434907 0.129433 0.0559846} O3823 6078 0.0 -1 1 {} H 0.0 {0.54428 0.142942 0.245959} H456 6079 0.0 -1 1 {} H 0.0 {0.285461 0.105688 0.514537} H457 6080 0.0 -1 1 {} H 0.0 {0.490811 0.195014 0.848334} H458 6081 0.0 -1 1 {} H 0.0 {0.142025 0.120565 0.759647} H459 6082 0.0 -1 1 {} H 0.0 {0.377835 0.137216 0.880365} H460 6083 0.0 -1 1 {} H 0.0 {0.320703 0.104214 0.292933} H461 6084 0.0 -1 1 {} H 0.0 {0.370383 0.122052 0.529195} H462 6085 0.0 -1 1 {} H 0.0 {0.343988 0.126203 0.470761} H463 6086 0.0 -1 1 {} H 0.0 {0.388496 0.135655 0.733952} H464 6087 0.0 -1 1 {} H 0.0 {0.375034 0.098065 0.981059} H465 6088 0.0 -1 1 {} H 0.0 {0.595375 0.829615 0.438442} H466 6089 0.0 -1 1 {} H 0.0 {0.361407 0.103087 0.148872} H467 6090 0.0 -1 1 {} H 0.0 {0.511007 0.0991193 0.154417} H468 6091 0.0 -1 1 {} H 0.0 {0.762526 0.948439 0.0249532} H469 6092 0.0 -1 1 {} H 0.0 {0.470921 0.186194 0.0556581} H470 6093 0.0 -1 1 {} H 0.0 {0.303752 0.0898036 0.990205} H471 6094 0.0 -1 8 {} O 0.0 {0.400102 0.16738 0.890136} O3824 6095 0.0 -1 8 {} O 0.0 {0.473937 0.183318 0.0287734} O3825 6096 0.0 -1 8 {} O 0.0 {0.760973 0.94063 0.0464711} O3826 6097 0.0 -1 8 {} O 0.0 {0.509463 0.107637 0.148922} O3827 6098 0.0 -1 1 {} H 0.0 {0.415894 0.1606 0.565628} H472 6099 0.0 -1 1 {} H 0.0 {0.290983 0.103092 0.528329} H473 6100 0.0 -1 1 {} H 0.0 {0.398488 0.177022 0.77895} H474 6101 0.0 -1 1 {} H 0.0 {0.151218 0.956846 0.744089} H475 6102 0.0 -1 1 {} H 0.0 {0.364151 0.0938735 0.514929} H476 6103 0.0 -1 1 {} H 0.0 {0.318574 0.104364 0.225591} H477 6104 0.0 -1 1 {} H 0.0 {0.361504 0.106917 0.793522} H478 6105 0.0 -1 1 {} H 0.0 {0.300593 0.126387 0.978023} H479 6106 0.0 -1 8 {} O 0.0 {0.429485 0.175879 0.00210606} O3828 6107 0.0 -1 8 {} O 0.0 {0.288733 0.110697 0.524607} O3829 6108 0.0 -1 8 {} O 0.0 {0.415049 0.107415 0.713863} O3830 6109 0.0 -1 8 {} O 0.0 {0.346393 0.927629 0.132422} O3831 6110 0.0 -1 8 {} O 0.0 {0.366548 0.100756 0.536784} O3832 6111 0.0 -1 8 {} O 0.0 {0.320171 0.110427 0.260378} O3833 6112 0.0 -1 8 {} O 0.0 {0.363691 0.112814 0.764864} O3834 6113 0.0 -1 8 {} O 0.0 {0.301866 0.118592 0.00604898} O3835 6114 0.0 -1 1 {} H 0.0 {0.518757 0.194075 0.58965} H480 6115 0.0 -1 1 {} H 0.0 {0.190019 0.111587 0.700506} H481 6116 0.0 -1 1 {} H 0.0 {0.182091 0.110312 0.229078} H482 6117 0.0 -1 1 {} H 0.0 {0.13954 0.103552 0.854938} H483 6118 0.0 -1 1 {} H 0.0 {0.223936 0.110344 0.876425} H484 6119 0.0 -1 1 {} H 0.0 {0.463571 0.113661 0.93296} H485 6120 0.0 -1 1 {} H 0.0 {0.344031 0.0936919 0.69305} H486 6121 0.0 -1 1 {} H 0.0 {0.342292 0.116525 0.932634} H487 6122 0.0 -1 1 {} H 0.0 {0.298177 0.104096 0.971767} H488 6123 0.0 -1 1 {} H 0.0 {0.21318 0.106619 0.171747} H489 6124 0.0 -1 1 {} H 0.0 {0.456133 0.141054 0.825745} H490 6125 0.0 -1 1 {} H 0.0 {0.404519 0.0970991 0.190347} H491 6126 0.0 -1 1 {} H 0.0 {0.446986 0.132929 0.570165} H492 6127 0.0 -1 1 {} H 0.0 {0.465755 0.142776 0.852597} H493 6128 0.0 -1 1 {} H 0.0 {0.40566 0.100192 0.256991} H494 6129 0.0 -1 1 {} H 0.0 {0.429804 0.160276 0.27295} H495 6130 0.0 -1 8 {} O 0.0 {0.298085 0.0946011 0.966333} O3836 6131 0.0 -1 8 {} O 0.0 {0.124225 0.103143 0.345588} O3837 6132 0.0 -1 8 {} O 0.0 {0.462332 0.139543 0.871724} O3838 6133 0.0 -1 8 {} O 0.0 {0.406926 0.103055 0.213462} O3839 6134 0.0 -1 1 {} H 0.0 {0.460605 0.140327 0.282763} H496 6135 0.0 -1 1 {} H 0.0 {0.417395 0.108336 0.756493} H497 6136 0.0 -1 1 {} H 0.0 {0.500523 0.188887 0.592281} H498 6137 0.0 -1 1 {} H 0.0 {0.333135 0.107391 0.408005} H499 6138 0.0 -1 1 {} H 0.0 {0.527317 0.102559 0.763685} H500 6139 0.0 -1 1 {} H 0.0 {0.469709 0.121156 0.788578} H501 6140 0.0 -1 1 {} H 0.0 {0.375003 0.130827 0.550849} H502 6141 0.0 -1 1 {} H 0.0 {0.404135 0.136901 0.0604533} H503 6142 0.0 -1 8 {} O 0.0 {0.462002 0.141768 0.240402} O3840 6143 0.0 -1 8 {} O 0.0 {0.153991 0.121617 0.203643} O3841 6144 0.0 -1 8 {} O 0.0 {0.466661 0.190877 0.911112} O3842 6145 0.0 -1 8 {} O 0.0 {0.332307 0.114144 0.442165} O3843 6146 0.0 -1 8 {} O 0.0 {0.388185 0.0996546 0.219708} O3844 6147 0.0 -1 8 {} O 0.0 {0.47335 0.124836 0.783137} O3845 6148 0.0 -1 8 {} O 0.0 {0.372499 0.129675 0.515587} O3846 6149 0.0 -1 8 {} O 0.0 {0.402376 0.14476 0.0338317} O3847 6150 0.0 -1 1 {} H 0.0 {0.272023 0.10593 0.607936} H504 6151 0.0 -1 1 {} H 0.0 {0.420833 0.100989 0.83717} H505 6152 0.0 -1 1 {} H 0.0 {0.492869 0.117434 0.470487} H506 6153 0.0 -1 1 {} H 0.0 {0.1084 0.106743 0.553122} H507 6154 0.0 -1 1 {} H 0.0 {0.156131 0.106792 0.192121} H508 6155 0.0 -1 1 {} H 0.0 {0.410835 0.138645 0.283852} H509 6156 0.0 -1 1 {} H 0.0 {0.172016 0.103137 0.511966} H510 6157 0.0 -1 1 {} H 0.0 {0.74349 0.947181 0.500034} H511 6158 0.0 -1 1 {} H 0.0 {0.199172 0.0979622 0.210207} H512 6159 0.0 -1 1 {} H 0.0 {0.367616 0.14397 0.82971} H513 6160 0.0 -1 1 {} H 0.0 {0.462806 0.130473 0.875265} H514 6161 0.0 -1 1 {} H 0.0 {0.329797 0.137985 0.326761} H515 6162 0.0 -1 1 {} H 0.0 {0.331659 0.138198 0.25699} H516 6163 0.0 -1 1 {} H 0.0 {0.258963 0.118758 0.369368} H517 6164 0.0 -1 1 {} H 0.0 {0.271364 0.112401 0.135016} H518 6165 0.0 -1 1 {} H 0.0 {0.203353 0.140535 0.0644001} H519 6166 0.0 -1 8 {} O 0.0 {0.204758 0.0987251 0.327539} O3848 6167 0.0 -1 8 {} O 0.0 {0.370247 0.137603 0.838982} O3849 6168 0.0 -1 8 {} O 0.0 {0.430024 0.153731 0.237102} O3850 6169 0.0 -1 8 {} O 0.0 {0.333002 0.136415 0.29836} O3851 6170 0.0 -1 1 {} H 0.0 {0.201875 0.105136 0.343134} H520 6171 0.0 -1 1 {} H 0.0 {0.286397 0.117787 0.0523208} H521 6172 0.0 -1 1 {} H 0.0 {0.263539 0.127296 0.723371} H522 6173 0.0 -1 1 {} H 0.0 {0.326662 0.0962718 0.687275} H523 6174 0.0 -1 1 {} H 0.0 {0.354336 0.0898555 0.651646} H524 6175 0.0 -1 1 {} H 0.0 {0.336819 0.0932895 0.346836} H525 6176 0.0 -1 1 {} H 0.0 {0.343737 0.101126 0.814435} H526 6177 0.0 -1 1 {} H 0.0 {0.205752 0.113898 0.189051} H527 6178 0.0 -1 8 {} O 0.0 {0.216862 0.103122 0.292422} O3852 6179 0.0 -1 8 {} O 0.0 {0.420319 0.110398 0.825962} O3853 6180 0.0 -1 8 {} O 0.0 {0.286615 0.0897537 0.672365} O3854 6181 0.0 -1 8 {} O 0.0 {0.147285 0.106381 0.61999} O3855 6182 0.0 -1 8 {} O 0.0 {0.357288 0.096288 0.639757} O3856 6183 0.0 -1 8 {} O 0.0 {0.411607 0.143755 0.245059} O3857 6184 0.0 -1 8 {} O 0.0 {0.347022 0.10672 0.813883} O3858 6185 0.0 -1 8 {} O 0.0 {0.284611 0.123258 0.0831971} O3859 6186 0.0 -1 1 {} H 0.0 {0.118712 0.111298 0.805947} H528 6187 0.0 -1 1 {} H 0.0 {0.356628 0.104256 0.667395} H529 6188 0.0 -1 1 {} H 0.0 {0.16763 0.116638 0.918814} H530 6189 0.0 -1 1 {} H 0.0 {0.373293 0.130604 0.424498} H531 6190 0.0 -1 8 {} O 0.0 {0.236478 0.130873 0.100527} O3860 6191 0.0 -1 8 {} O 0.0 {0.623574 0.181151 0.957646} O3861 6192 0.0 -1 1 {} H 0.0 {0.251296 0.102709 0.0160641} H532 6193 0.0 -1 1 {} H 0.0 {0.412451 0.158143 0.0536058} H533 6194 0.0 -1 1 {} H 0.0 {0.261501 0.140316 0.752448} H534 6195 0.0 -1 8 {} O 0.0 {0.306075 0.087996 0.334186} O3862 6196 0.0 -1 8 {} O 0.0 {0.410663 0.16261 0.0167544} O3863 6197 0.0 -1 8 {} O 0.0 {0.261507 0.135542 0.713503} O3864 6198 0.0 -1 1 {} H 0.0 {0.454032 0.90709 0.985808} H535 6199 0.0 -1 1 {} H 0.0 {0.385789 0.894181 0.524408} H536 6200 0.0 -1 1 {} H 0.0 {0.418968 0.882733 0.219873} H537 6201 0.0 -1 1 {} H 0.0 {0.598029 0.880713 0.60976} H538 6202 0.0 -1 8 {} O 0.0 {0.363045 0.876193 0.14344} O3865 6203 0.0 -1 1 {} H 0.0 {0.41797 0.913742 0.665259} H539 6204 0.0 -1 1 {} H 0.0 {0.48856 0.773779 0.317293} H540 6205 0.0 -1 1 {} H 0.0 {0.480534 0.93345 0.191974} H541 6206 0.0 -1 8 {} O 0.0 {0.437074 0.942904 0.861545} O3866 6207 0.0 -1 8 {} O 0.0 {0.488546 0.782482 0.333979} O3867 6208 0.0 -1 8 {} O 0.0 {0.3617 0.897699 0.663565} O3868 6209 0.0 -1 1 {} H 0.0 {0.709954 0.0959446 0.515998} H542 6210 0.0 -1 1 {} H 0.0 {0.465029 0.149943 0.706081} H543 6211 0.0 -1 1 {} H 0.0 {0.613729 0.863891 0.849204} H544 6212 0.0 -1 1 {} H 0.0 {0.539935 0.88175 0.417011} H545 6213 0.0 -1 1 {} H 0.0 {0.450312 0.138908 0.325978} H546 6214 0.0 -1 1 {} H 0.0 {0.466419 0.951583 0.804578} H547 6215 0.0 -1 1 {} H 0.0 {0.309494 0.951386 0.720917} H548 6216 0.0 -1 1 {} H 0.0 {0.393771 0.842987 0.714965} H549 6217 0.0 -1 1 {} H 0.0 {0.604015 0.839794 0.0925215} H550 6218 0.0 -1 1 {} H 0.0 {0.39734 0.851197 0.817953} H551 6219 0.0 -1 1 {} H 0.0 {0.364238 0.935852 0.170117} H552 6220 0.0 -1 1 {} H 0.0 {0.428008 0.93148 0.131574} H553 6221 0.0 -1 1 {} H 0.0 {0.431001 0.934338 0.193317} H554 6222 0.0 -1 1 {} H 0.0 {0.498624 0.786397 0.438441} H555 6223 0.0 -1 1 {} H 0.0 {0.697686 0.917577 0.300887} H556 6224 0.0 -1 1 {} H 0.0 {0.44863 0.872612 0.905134} H557 6225 0.0 -1 8 {} O 0.0 {0.311646 0.145186 0.97712} O3869 6226 0.0 -1 8 {} O 0.0 {0.585647 0.845295 0.242101} O3870 6227 0.0 -1 8 {} O 0.0 {0.494812 0.784588 0.444344} O3871 6228 0.0 -1 8 {} O 0.0 {0.428088 0.928719 0.176723} O3872 6229 0.0 -1 1 {} H 0.0 {0.568591 0.145939 0.703546} H558 6230 0.0 -1 1 {} H 0.0 {0.406942 0.117929 0.139161} H559 6231 0.0 -1 1 {} H 0.0 {0.488372 0.847816 0.667558} H560 6232 0.0 -1 1 {} H 0.0 {0.31802 0.93289 0.0248201} H561 6233 0.0 -1 1 {} H 0.0 {0.395969 0.933833 0.020435} H562 6234 0.0 -1 1 {} H 0.0 {0.518208 0.777467 0.788594} H563 6235 0.0 -1 1 {} H 0.0 {0.454302 0.913491 0.299142} H564 6236 0.0 -1 1 {} H 0.0 {0.471235 0.843237 0.836943} H565 6237 0.0 -1 8 {} O 0.0 {0.598062 0.871866 0.589551} O3873 6238 0.0 -1 8 {} O 0.0 {0.405705 0.122419 0.0994666} O3874 6239 0.0 -1 8 {} O 0.0 {0.468743 0.901411 0.0315255} O3875 6240 0.0 -1 8 {} O 0.0 {0.314791 0.928874 0.0412974} O3876 6241 0.0 -1 8 {} O 0.0 {0.584296 0.859085 0.761645} O3877 6242 0.0 -1 8 {} O 0.0 {0.520447 0.769534 0.802646} O3878 6243 0.0 -1 8 {} O 0.0 {0.450725 0.908906 0.00856338} O3879 6244 0.0 -1 8 {} O 0.0 {0.474352 0.844828 0.810792} O3880 6245 0.0 -1 1 {} H 0.0 {0.532447 0.140995 0.17127} H566 6246 0.0 -1 1 {} H 0.0 {0.548752 0.909405 0.219827} H567 6247 0.0 -1 1 {} H 0.0 {0.446166 0.831595 0.453481} H568 6248 0.0 -1 1 {} H 0.0 {0.238033 0.927683 0.0765384} H569 6249 0.0 -1 1 {} H 0.0 {0.587091 0.854131 0.255984} H570 6250 0.0 -1 1 {} H 0.0 {0.406379 0.918912 0.469069} H571 6251 0.0 -1 1 {} H 0.0 {0.46083 0.116818 0.635104} H572 6252 0.0 -1 1 {} H 0.0 {0.424702 0.832328 0.205703} H573 6253 0.0 -1 1 {} H 0.0 {0.522941 0.931665 0.16331} H574 6254 0.0 -1 1 {} H 0.0 {0.488361 0.145157 0.689902} H575 6255 0.0 -1 1 {} H 0.0 {0.51367 0.914874 0.261862} H576 6256 0.0 -1 1 {} H 0.0 {0.731727 0.944327 0.334854} H577 6257 0.0 -1 1 {} H 0.0 {0.761914 0.942973 0.0934183} H578 6258 0.0 -1 1 {} H 0.0 {0.50797 0.909492 0.268947} H579 6259 0.0 -1 1 {} H 0.0 {0.196437 0.115938 0.423691} H580 6260 0.0 -1 1 {} H 0.0 {0.534951 0.857578 0.922268} H581 6261 0.0 -1 8 {} O 0.0 {0.446924 0.866759 0.93768} O3881 6262 0.0 -1 8 {} O 0.0 {0.48502 0.148988 0.669998} O3882 6263 0.0 -1 8 {} O 0.0 {0.511116 0.911724 0.296669} O3883 6264 0.0 -1 8 {} O 0.0 {0.292973 0.944117 0.846108} O3884 6265 0.0 -1 1 {} H 0.0 {0.519116 0.773941 0.886537} H582 6266 0.0 -1 1 {} H 0.0 {0.543152 0.902962 0.237116} H583 6267 0.0 -1 1 {} H 0.0 {0.44317 0.870274 0.936141} H584 6268 0.0 -1 1 {} H 0.0 {0.37265 0.898643 0.1558} H585 6269 0.0 -1 1 {} H 0.0 {0.60757 0.870398 0.935035} H586 6270 0.0 -1 1 {} H 0.0 {0.521641 0.880009 0.110632} H587 6271 0.0 -1 1 {} H 0.0 {0.511318 0.774869 0.284286} H588 6272 0.0 -1 1 {} H 0.0 {0.193738 0.118223 0.35883} H589 6273 0.0 -1 8 {} O 0.0 {0.533964 0.853446 0.322989} O3885 6274 0.0 -1 8 {} O 0.0 {0.544899 0.911981 0.23079} O3886 6275 0.0 -1 8 {} O 0.0 {0.63947 0.919578 0.681035} O3887 6276 0.0 -1 8 {} O 0.0 {0.376472 0.898681 0.145057} O3888 6277 0.0 -1 8 {} O 0.0 {0.728753 0.938544 0.127105} O3889 6278 0.0 -1 8 {} O 0.0 {0.509098 0.809756 0.195823} O3890 6279 0.0 -1 8 {} O 0.0 {0.582687 0.813687 0.706845} O3891 6280 0.0 -1 8 {} O 0.0 {0.462079 0.16045 0.0898847} O3892 6281 0.0 -1 1 {} H 0.0 {0.244217 0.110178 0.191345} H590 6282 0.0 -1 1 {} H 0.0 {0.58027 0.802001 0.380588} H591 6283 0.0 -1 1 {} H 0.0 {0.636167 0.92321 0.665622} H592 6284 0.0 -1 1 {} H 0.0 {0.459785 0.833132 0.670829} H593 6285 0.0 -1 1 {} H 0.0 {0.436116 0.132839 0.441901} H594 6286 0.0 -1 1 {} H 0.0 {0.65448 0.90929 0.351938} H595 6287 0.0 -1 1 {} H 0.0 {0.247996 0.943688 0.0337613} H596 6288 0.0 -1 1 {} H 0.0 {0.628825 0.849082 0.971949} H597 6289 0.0 -1 1 {} H 0.0 {0.410591 0.873281 0.67299} H598 6290 0.0 -1 1 {} H 0.0 {0.489786 0.177604 0.718551} H599 6291 0.0 -1 1 {} H 0.0 {0.518712 0.831656 0.477474} H600 6292 0.0 -1 1 {} H 0.0 {0.659136 0.930662 0.546346} H601 6293 0.0 -1 1 {} H 0.0 {0.661073 0.938032 0.182349} H602 6294 0.0 -1 1 {} H 0.0 {0.599609 0.91381 0.551912} H603 6295 0.0 -1 1 {} H 0.0 {0.561081 0.183132 0.349413} H604 6296 0.0 -1 1 {} H 0.0 {0.608456 0.834401 0.70463} H605 6297 0.0 -1 8 {} O 0.0 {0.612253 0.890913 0.761788} O3893 6298 0.0 -1 8 {} O 0.0 {0.563974 0.181137 0.31671} O3894 6299 0.0 -1 8 {} O 0.0 {0.603203 0.912041 0.536916} O3895 6300 0.0 -1 8 {} O 0.0 {0.660022 0.946263 0.166632} O3896 6301 0.0 -1 1 {} H 0.0 {0.542183 0.781117 0.635536} H606 6302 0.0 -1 1 {} H 0.0 {0.607812 0.930586 0.77613} H607 6303 0.0 -1 1 {} H 0.0 {0.560748 0.836738 0.518238} H608 6304 0.0 -1 1 {} H 0.0 {0.597621 0.887572 0.2216} H609 6305 0.0 -1 1 {} H 0.0 {0.44984 0.877175 0.311746} H610 6306 0.0 -1 1 {} H 0.0 {0.447486 0.834116 0.694267} H611 6307 0.0 -1 1 {} H 0.0 {0.501789 0.127147 0.850467} H612 6308 0.0 -1 1 {} H 0.0 {0.51459 0.811389 0.645312} H613 6309 0.0 -1 8 {} O 0.0 {0.541037 0.773853 0.662897} O3897 6310 0.0 -1 8 {} O 0.0 {0.6046 0.826313 0.569426} O3898 6311 0.0 -1 8 {} O 0.0 {0.365044 0.911952 0.959426} O3899 6312 0.0 -1 8 {} O 0.0 {0.598167 0.823346 0.454578} O3900 6313 0.0 -1 8 {} O 0.0 {0.503045 0.807677 0.315701} O3901 6314 0.0 -1 8 {} O 0.0 {0.510761 0.869747 0.0127491} O3902 6315 0.0 -1 8 {} O 0.0 {0.350917 0.126065 0.337968} O3903 6316 0.0 -1 8 {} O 0.0 {0.443303 0.824566 0.122276} O3904 6317 0.0 -1 1 {} H 0.0 {0.567375 0.110907 0.888786} H614 6318 0.0 -1 1 {} H 0.0 {0.150179 0.119872 0.195934} H615 6319 0.0 -1 1 {} H 0.0 {0.478509 0.906353 0.198214} H616 6320 0.0 -1 1 {} H 0.0 {0.353022 0.906465 0.469976} H617 6321 0.0 -1 1 {} H 0.0 {0.366022 0.0999325 0.583191} H618 6322 0.0 -1 1 {} H 0.0 {0.547211 0.89903 0.975712} H619 6323 0.0 -1 1 {} H 0.0 {0.467981 0.906669 0.621645} H620 6324 0.0 -1 1 {} H 0.0 {0.384124 0.914637 0.996501} H621 6325 0.0 -1 1 {} H 0.0 {0.60821 0.823472 0.657285} H622 6326 0.0 -1 1 {} H 0.0 {0.416496 0.917934 0.0202866} H623 6327 0.0 -1 1 {} H 0.0 {0.665006 0.927856 0.600399} H624 6328 0.0 -1 1 {} H 0.0 {0.445088 0.169158 0.284085} H625 6329 0.0 -1 1 {} H 0.0 {0.442746 0.168994 0.35344} H626 6330 0.0 -1 1 {} H 0.0 {0.666658 0.910653 0.397709} H627 6331 0.0 -1 1 {} H 0.0 {0.721114 0.940049 0.35186} H628 6332 0.0 -1 1 {} H 0.0 {0.235032 0.937993 0.112705} H629 6333 0.0 -1 8 {} O 0.0 {0.610355 0.82661 0.694286} O3905 6334 0.0 -1 8 {} O 0.0 {0.496972 0.86472 0.16549} O3906 6335 0.0 -1 8 {} O 0.0 {0.523879 0.894927 0.990045} O3907 6336 0.0 -1 8 {} O 0.0 {0.446096 0.170793 0.327896} O3908 6337 0.0 -1 1 {} H 0.0 {0.482165 0.855279 0.00964941} H630 6338 0.0 -1 1 {} H 0.0 {0.449629 0.122552 0.617935} H631 6339 0.0 -1 1 {} H 0.0 {0.491092 0.81659 0.470861} H632 6340 0.0 -1 1 {} H 0.0 {0.590129 0.864211 0.970257} H633 6341 0.0 -1 1 {} H 0.0 {0.6119 0.853429 0.551392} H634 6342 0.0 -1 1 {} H 0.0 {0.660928 0.923106 0.258623} H635 6343 0.0 -1 1 {} H 0.0 {0.29673 0.940396 0.48413} H636 6344 0.0 -1 1 {} H 0.0 {0.428366 0.146606 0.684594} H637 6345 0.0 -1 8 {} O 0.0 {0.52868 0.902836 0.815995} O3909 6346 0.0 -1 8 {} O 0.0 {0.447223 0.130477 0.618239} O3910 6347 0.0 -1 8 {} O 0.0 {0.500004 0.87757 0.96857} O3911 6348 0.0 -1 8 {} O 0.0 {0.312584 0.901432 0.300701} O3912 6349 0.0 -1 8 {} O 0.0 {0.706112 0.920834 0.190712} O3913 6350 0.0 -1 8 {} O 0.0 {0.50703 0.880176 0.196629} O3914 6351 0.0 -1 8 {} O 0.0 {0.257712 0.922987 0.910273} O3915 6352 0.0 -1 8 {} O 0.0 {0.342044 0.130972 0.438085} O3916 6353 0.0 -1 1 {} H 0.0 {0.502307 0.780613 0.277955} H638 6354 0.0 -1 1 {} H 0.0 {0.581899 0.888336 0.959537} H639 6355 0.0 -1 1 {} H 0.0 {0.577239 0.832132 0.277595} H640 6356 0.0 -1 1 {} H 0.0 {0.620246 0.93546 0.372378} H641 6357 0.0 -1 1 {} H 0.0 {0.672224 0.861114 0.813098} H642 6358 0.0 -1 1 {} H 0.0 {0.638159 0.893639 0.150985} H643 6359 0.0 -1 1 {} H 0.0 {0.444626 0.855676 0.335543} H644 6360 0.0 -1 1 {} H 0.0 {0.568853 0.872994 0.899196} H645 6361 0.0 -1 1 {} H 0.0 {0.618247 0.867425 0.113819} H646 6362 0.0 -1 1 {} H 0.0 {0.457489 0.158338 0.309492} H647 6363 0.0 -1 1 {} H 0.0 {0.552324 0.892381 0.498978} H648 6364 0.0 -1 1 {} H 0.0 {0.673904 0.927705 0.182469} H649 6365 0.0 -1 1 {} H 0.0 {0.634049 0.871748 0.229091} H650 6366 0.0 -1 1 {} H 0.0 {0.384541 0.932165 0.516317} H651 6367 0.0 -1 1 {} H 0.0 {0.451651 0.112878 0.0313763} H652 6368 0.0 -1 1 {} H 0.0 {0.613454 0.205052 0.914455} H653 6369 0.0 -1 8 {} O 0.0 {0.512422 0.822238 0.515328} O3917 6370 0.0 -1 8 {} O 0.0 {0.45372 0.120738 0.0271958} O3918 6371 0.0 -1 8 {} O 0.0 {0.267045 0.924578 0.248604} O3919 6372 0.0 -1 8 {} O 0.0 {0.672895 0.920504 0.211746} O3920 6373 0.0 -1 1 {} H 0.0 {0.564336 0.812915 0.184427} H654 6374 0.0 -1 1 {} H 0.0 {0.582591 0.901418 0.927664} H655 6375 0.0 -1 1 {} H 0.0 {0.147912 0.101036 0.880902} H656 6376 0.0 -1 1 {} H 0.0 {0.41831 0.931568 0.700736} H657 6377 0.0 -1 1 {} H 0.0 {0.54102 0.170329 0.0425639} H658 6378 0.0 -1 1 {} H 0.0 {0.567565 0.882094 0.599625} H659 6379 0.0 -1 1 {} H 0.0 {0.467812 0.910373 0.545271} H660 6380 0.0 -1 1 {} H 0.0 {0.346614 0.117906 0.87917} H661 6381 0.0 -1 8 {} O 0.0 {0.564208 0.81739 0.224622} O3921 6382 0.0 -1 8 {} O 0.0 {0.580061 0.89406 0.928468} O3922 6383 0.0 -1 8 {} O 0.0 {0.144885 0.100051 0.906501} O3923 6384 0.0 -1 8 {} O 0.0 {0.415782 0.926489 0.726121} O3924 6385 0.0 -1 8 {} O 0.0 {0.520736 0.875717 0.666341} O3925 6386 0.0 -1 8 {} O 0.0 {0.568122 0.873146 0.58615} O3926 6387 0.0 -1 8 {} O 0.0 {0.470077 0.906461 0.579288} O3927 6388 0.0 -1 8 {} O 0.0 {0.345636 0.120957 0.9238} O3928 6389 0.0 -1 1 {} H 0.0 {0.635073 0.151107 0.946067} H662 6390 0.0 -1 1 {} H 0.0 {0.577662 0.930424 0.76347} H663 6391 0.0 -1 1 {} H 0.0 {0.645816 0.899631 0.155021} H664 6392 0.0 -1 1 {} H 0.0 {0.491787 0.918616 0.418616} H665 6393 0.0 -1 1 {} H 0.0 {0.387178 0.0968756 0.26408} H666 6394 0.0 -1 1 {} H 0.0 {0.536094 0.805047 0.212931} H667 6395 0.0 -1 1 {} H 0.0 {0.122575 0.0996222 0.304067} H668 6396 0.0 -1 1 {} H 0.0 {0.555445 0.90606 0.731635} H669 6397 0.0 -1 1 {} H 0.0 {0.617763 0.196558 0.940633} H670 6398 0.0 -1 1 {} H 0.0 {0.30902 0.118951 0.953668} H671 6399 0.0 -1 1 {} H 0.0 {0.529811 0.868595 0.438331} H672 6400 0.0 -1 1 {} H 0.0 {0.55147 0.860067 0.287728} H673 6401 0.0 -1 1 {} H 0.0 {0.545904 0.751238 0.427661} H674 6402 0.0 -1 1 {} H 0.0 {0.529756 0.116788 0.0120264} H675 6403 0.0 -1 1 {} H 0.0 {0.175409 0.110591 0.996881} H676 6404 0.0 -1 1 {} H 0.0 {0.775934 0.95467 0.343575} H677 6405 0.0 -1 8 {} O 0.0 {0.615001 0.202794 0.954504} O3929 6406 0.0 -1 8 {} O 0.0 {0.311945 0.121143 0.922035} O3930 6407 0.0 -1 8 {} O 0.0 {0.48581 0.930539 0.476139} O3931 6408 0.0 -1 8 {} O 0.0 {0.554449 0.859208 0.258045} O3932 6409 0.0 -1 1 {} H 0.0 {0.425275 0.845647 0.482765} H678 6410 0.0 -1 1 {} H 0.0 {0.580461 0.932729 0.698572} H679 6411 0.0 -1 1 {} H 0.0 {0.557493 0.918397 0.697834} H680 6412 0.0 -1 1 {} H 0.0 {0.508312 0.909331 0.639955} H681 6413 0.0 -1 1 {} H 0.0 {0.440915 0.860789 0.497977} H682 6414 0.0 -1 1 {} H 0.0 {0.530562 0.796027 0.218472} H683 6415 0.0 -1 1 {} H 0.0 {0.449557 0.0941468 0.519943} H684 6416 0.0 -1 1 {} H 0.0 {0.101361 0.956684 0.405509} H685 6417 0.0 -1 8 {} O 0.0 {0.528206 0.123636 0.981803} O3933 6418 0.0 -1 8 {} O 0.0 {0.577866 0.926469 0.718889} O3934 6419 0.0 -1 8 {} O 0.0 {0.558561 0.909534 0.708578} O3935 6420 0.0 -1 8 {} O 0.0 {0.186982 0.106068 0.683989} O3936 6421 0.0 -1 8 {} O 0.0 {0.439617 0.854365 0.528437} O3937 6422 0.0 -1 8 {} O 0.0 {0.533037 0.801718 0.242066} O3938 6423 0.0 -1 8 {} O 0.0 {0.423928 0.852183 0.449762} O3939 6424 0.0 -1 8 {} O 0.0 {0.739965 0.951453 0.501505} O3940 6425 0.0 -1 1 {} H 0.0 {0.542023 0.108722 0.326431} H686 6426 0.0 -1 1 {} H 0.0 {0.443371 0.902125 0.0297292} H687 6427 0.0 -1 1 {} H 0.0 {0.626033 0.913871 0.906481} H688 6428 0.0 -1 1 {} H 0.0 {0.116294 0.956157 0.973238} H689 6429 0.0 -1 8 {} O 0.0 {0.515291 0.906997 0.14424} O3941 6430 0.0 -1 8 {} O 0.0 {0.0964097 0.951958 0.867096} O3942 6431 0.0 -1 1 {} H 0.0 {0.739927 0.941155 0.869608} H690 6432 0.0 -1 1 {} H 0.0 {0.430928 0.909029 0.678702} H691 6433 0.0 -1 1 {} H 0.0 {0.509179 0.913265 0.953738} H692 6434 0.0 -1 8 {} O 0.0 {0.738553 0.948709 0.84919} O3943 6435 0.0 -1 8 {} O 0.0 {0.589177 0.897399 0.787885} O3944 6436 0.0 -1 8 {} O 0.0 {0.207036 0.101189 0.981888} O3945 6437 0.0 -1 1 {} H 0.0 {0.502123 0.852857 0.738264} H693 6438 0.0 -1 1 {} H 0.0 {0.618877 0.861519 0.889772} H694 6439 0.0 -1 1 {} H 0.0 {0.542958 0.933377 0.825652} H695 6440 0.0 -1 8 {} O 0.0 {0.617693 0.863446 0.846181} O3946 6441 0.0 -1 1 {} H 0.0 {0.368844 0.934445 0.621076} H696 6442 0.0 -1 1 {} H 0.0 {0.461891 0.916259 0.237682} H697 6443 0.0 -1 8 {} O 0.0 {0.460175 0.907466 0.246642} O3947 6444 0.0 -1 8 {} O 0.0 {0.545747 0.927086 0.805792} O3948 6445 0.0 -1 1 {} H 0.0 {0.364579 0.927005 0.462262} H698 6446 0.0 -1 1 {} H 0.0 {0.602871 0.816461 0.287916} H699 6447 0.0 -1 1 {} H 0.0 {0.508683 0.897104 0.340337} H700 6448 0.0 -1 1 {} H 0.0 {0.526587 0.932868 0.38328} H701 6449 0.0 -1 1 {} H 0.0 {0.697722 0.903107 0.307528} H702 6450 0.0 -1 1 {} H 0.0 {0.407771 0.84379 0.666559} H703 6451 0.0 -1 1 {} H 0.0 {0.563905 0.889902 0.055753} H704 6452 0.0 -1 1 {} H 0.0 {0.545497 0.912687 0.49429} H705 6453 0.0 -1 1 {} H 0.0 {0.273783 0.93487 0.0952069} H706 6454 0.0 -1 1 {} H 0.0 {0.50291 0.786649 0.887433} H707 6455 0.0 -1 1 {} H 0.0 {0.550015 0.873827 0.0863385} H708 6456 0.0 -1 8 {} O 0.0 {0.358415 0.93934 0.859022} O3949 6457 0.0 -1 8 {} O 0.0 {0.567383 0.925758 0.492355} O3950 6458 0.0 -1 8 {} O 0.0 {0.252757 0.927294 0.272925} O3951 6459 0.0 -1 1 {} H 0.0 {0.276451 0.941709 0.429869} H709 6460 0.0 -1 1 {} H 0.0 {0.516652 0.873668 0.659658} H710 6461 0.0 -1 1 {} H 0.0 {0.461829 0.884729 0.149699} H711 6462 0.0 -1 1 {} H 0.0 {0.508733 0.927505 0.333745} H712 6463 0.0 -1 1 {} H 0.0 {0.473945 0.933084 0.691449} H713 6464 0.0 -1 1 {} H 0.0 {0.390573 0.851629 0.66487} H714 6465 0.0 -1 8 {} O 0.0 {0.30545 0.929828 0.14374} O3952 6466 0.0 -1 8 {} O 0.0 {0.525161 0.925573 0.138592} O3953 6467 0.0 -1 8 {} O 0.0 {0.697774 0.909749 0.272218} O3954 6468 0.0 -1 8 {} O 0.0 {0.476595 0.930681 0.722482} O3955 6469 0.0 -1 8 {} O 0.0 {0.392072 0.842654 0.673031} O3956 6470 0.0 -1 1 {} H 0.0 {0.569445 0.803449 0.511538} H715 6471 0.0 -1 1 {} H 0.0 {0.779654 0.927736 0.0235568} H716 6472 0.0 -1 1 {} H 0.0 {0.212092 0.957411 0.446601} H717 6473 0.0 -1 1 {} H 0.0 {0.526068 0.932177 0.0627918} H718 6474 0.0 -1 1 {} H 0.0 {0.62886 0.914906 0.203571} H719 6475 0.0 -1 1 {} H 0.0 {0.553597 0.88313 0.0483773} H720 6476 0.0 -1 1 {} H 0.0 {0.763215 0.940323 0.214509} H721 6477 0.0 -1 1 {} H 0.0 {0.599394 0.812026 0.689443} H722 6478 0.0 -1 1 {} H 0.0 {0.269728 0.929997 0.23006} H723 6479 0.0 -1 1 {} H 0.0 {0.571318 0.845594 0.883101} H724 6480 0.0 -1 1 {} H 0.0 {0.455566 0.905045 0.0877221} H725 6481 0.0 -1 8 {} O 0.0 {0.553439 0.873646 0.0621085} O3957 6482 0.0 -1 8 {} O 0.0 {0.71998 0.947362 0.514289} O3958 6483 0.0 -1 8 {} O 0.0 {0.598099 0.81012 0.64588} O3959 6484 0.0 -1 1 {} H 0.0 {0.573739 0.215657 0.392458} H726 6485 0.0 -1 1 {} H 0.0 {0.58832 0.895963 0.620342} H727 6486 0.0 -1 1 {} H 0.0 {0.458754 0.904502 0.150977} H728 6487 0.0 -1 1 {} H 0.0 {0.441247 0.838176 0.00409446} H729 6488 0.0 -1 1 {} H 0.0 {0.497077 0.871848 0.982604} H730 6489 0.0 -1 1 {} H 0.0 {0.637379 0.134208 0.665404} H731 6490 0.0 -1 8 {} O 0.0 {0.570301 0.221161 0.386388} O3960 6491 0.0 -1 8 {} O 0.0 {0.495396 0.915493 0.416365} O3961 6492 0.0 -1 8 {} O 0.0 {0.631707 0.912144 0.229894} O3962 6493 0.0 -1 8 {} O 0.0 {0.571836 0.796715 0.523989} O3963 6494 0.0 -1 8 {} O 0.0 {0.446541 0.82948 0.735096} O3964 6495 0.0 -1 1 {} H 0.0 {0.346816 0.896072 0.177367} H732 6496 0.0 -1 1 {} H 0.0 {0.437911 0.924788 0.663842} H733 6497 0.0 -1 1 {} H 0.0 {0.518436 0.85816 0.0108691} H734 6498 0.0 -1 1 {} H 0.0 {0.390466 0.85145 0.0108732} H735 6499 0.0 -1 1 {} H 0.0 {0.564425 0.826148 0.901037} H736 6500 0.0 -1 1 {} H 0.0 {0.601022 0.919839 0.244452} H737 6501 0.0 -1 1 {} H 0.0 {0.533518 0.844034 0.33686} H738 6502 0.0 -1 1 {} H 0.0 {0.779284 0.944019 0.154755} H739 6503 0.0 -1 1 {} H 0.0 {0.783198 0.955417 0.107914} H740 6504 0.0 -1 1 {} H 0.0 {0.397951 0.909782 0.95334} H741 6505 0.0 -1 1 {} H 0.0 {0.615442 0.900302 0.256694} H742 6506 0.0 -1 8 {} O 0.0 {0.45726 0.899164 0.115407} O3965 6507 0.0 -1 8 {} O 0.0 {0.379647 0.86161 0.540256} O3966 6508 0.0 -1 8 {} O 0.0 {0.779813 0.954247 0.128279} O3967 6509 0.0 -1 1 {} H 0.0 {0.228373 0.946703 0.0416342} H743 6510 0.0 -1 1 {} H 0.0 {0.447336 0.911258 0.827016} H744 6511 0.0 -1 1 {} H 0.0 {0.50938 0.933637 0.832961} H745 6512 0.0 -1 1 {} H 0.0 {0.772878 0.95741 0.713749} H746 6513 0.0 -1 1 {} H 0.0 {0.401777 0.883137 0.589279} H747 6514 0.0 -1 1 {} H 0.0 {0.582069 0.808735 0.449341} H748 6515 0.0 -1 8 {} O 0.0 {0.234427 0.930998 0.0821225} O3968 6516 0.0 -1 8 {} O 0.0 {0.435632 0.925911 0.704192} O3969 6517 0.0 -1 8 {} O 0.0 {0.560975 0.821719 0.906679} O3970 6518 0.0 -1 8 {} O 0.0 {0.403216 0.87368 0.594141} O3971 6519 0.0 -1 8 {} O 0.0 {0.632629 0.84669 0.985612} O3972 6520 0.0 -1 1 {} H 0.0 {0.470675 0.883608 0.0552909} H749 6521 0.0 -1 1 {} H 0.0 {0.535003 0.879414 0.894879} H750 6522 0.0 -1 1 {} H 0.0 {0.615472 0.885951 0.780064} H751 6523 0.0 -1 1 {} H 0.0 {0.122918 0.101742 0.978944} H752 6524 0.0 -1 1 {} H 0.0 {0.587356 0.838863 0.271317} H753 6525 0.0 -1 1 {} H 0.0 {0.506391 0.930047 0.774844} H754 6526 0.0 -1 1 {} H 0.0 {0.530054 0.798858 0.900433} H755 6527 0.0 -1 1 {} H 0.0 {0.666269 0.950762 0.0637466} H756 6528 0.0 -1 1 {} H 0.0 {0.744299 0.913227 0.22046} H757 6529 0.0 -1 1 {} H 0.0 {0.712246 0.910054 0.118103} H758 6530 0.0 -1 1 {} H 0.0 {0.46544 0.903886 0.0106503} H759 6531 0.0 -1 8 {} O 0.0 {0.50635 0.928087 0.819982} O3973 6532 0.0 -1 8 {} O 0.0 {0.48139 0.851575 0.91823} O3974 6533 0.0 -1 8 {} O 0.0 {0.657602 0.938477 0.520595} O3975 6534 0.0 -1 1 {} H 0.0 {0.537383 0.843789 0.920762} H760 6535 0.0 -1 1 {} H 0.0 {0.407299 0.85117 0.33028} H761 6536 0.0 -1 1 {} H 0.0 {0.576287 0.838186 0.590592} H762 6537 0.0 -1 1 {} H 0.0 {0.215854 0.108936 0.85912} H763 6538 0.0 -1 1 {} H 0.0 {0.574519 0.823051 0.579372} H764 6539 0.0 -1 1 {} H 0.0 {0.578665 0.78856 0.843382} H765 6540 0.0 -1 8 {} O 0.0 {0.534258 0.848673 0.932685} O3976 6541 0.0 -1 8 {} O 0.0 {0.538222 0.8752 0.907439} O3977 6542 0.0 -1 8 {} O 0.0 {0.573972 0.827007 0.278833} O3978 6543 0.0 -1 8 {} O 0.0 {0.470763 0.874067 0.0698877} O3979 6544 0.0 -1 8 {} O 0.0 {0.575537 0.788862 0.867286} O3980 6545 0.0 -1 1 {} H 0.0 {0.571518 0.83286 0.257519} H766 6546 0.0 -1 1 {} H 0.0 {0.363793 0.895221 0.703461} H767 6547 0.0 -1 1 {} H 0.0 {0.528781 0.926221 0.157031} H768 6548 0.0 -1 1 {} H 0.0 {0.48779 0.0297759 0.570266} H769 6549 0.0 -1 1 {} H 0.0 {0.69969 0.932045 0.4054} H770 6550 0.0 -1 1 {} H 0.0 {0.614616 0.930667 0.37844} H771 6551 0.0 -1 1 {} H 0.0 {0.444859 0.83654 0.7631} H772 6552 0.0 -1 1 {} H 0.0 {0.489312 0.818091 0.398565} H773 6553 0.0 -1 1 {} H 0.0 {0.347113 0.908649 0.1393} H774 6554 0.0 -1 1 {} H 0.0 {0.427274 0.844768 0.99636} H775 6555 0.0 -1 1 {} H 0.0 {0.483998 0.913067 0.132576} H776 6556 0.0 -1 8 {} O 0.0 {0.5758 0.831552 0.555516} O3981 6557 0.0 -1 8 {} O 0.0 {0.543489 0.900397 0.969026} O3982 6558 0.0 -1 8 {} O 0.0 {0.34686 0.899286 0.132856} O3983 6559 0.0 -1 1 {} H 0.0 {0.463502 0.881314 0.656726} H777 6560 0.0 -1 1 {} H 0.0 {0.387084 0.932146 0.450743} H778 6561 0.0 -1 1 {} H 0.0 {0.428743 0.908258 0.827501} H779 6562 0.0 -1 1 {} H 0.0 {0.489752 0.0245538 0.563413} H780 6563 0.0 -1 1 {} H 0.0 {0.611562 0.928971 0.83511} H781 6564 0.0 -1 1 {} H 0.0 {0.462859 0.900954 0.243778} H782 6565 0.0 -1 8 {} O 0.0 {0.460512 0.885048 0.676576} O3984 6566 0.0 -1 8 {} O 0.0 {0.387361 0.928575 0.49164} O3985 6567 0.0 -1 8 {} O 0.0 {0.489608 0.822394 0.440045} O3986 6568 0.0 -1 8 {} O 0.0 {0.607894 0.92703 0.819487} O3987 6569 0.0 -1 8 {} O 0.0 {0.442449 0.834312 0.446321} O3988 6570 0.0 -1 1 {} H 0.0 {0.621371 0.915668 0.0707543} H783 6571 0.0 -1 1 {} H 0.0 {0.702339 0.908035 0.650419} H784 6572 0.0 -1 1 {} H 0.0 {0.429875 0.839738 0.279945} H785 6573 0.0 -1 1 {} H 0.0 {0.687803 0.929376 0.823719} H786 6574 0.0 -1 1 {} H 0.0 {0.580069 0.811437 0.674806} H787 6575 0.0 -1 1 {} H 0.0 {0.500645 0.867447 0.171784} H788 6576 0.0 -1 1 {} H 0.0 {0.525552 0.86041 0.0869682} H789 6577 0.0 -1 1 {} H 0.0 {0.524398 0.824393 0.208426} H790 6578 0.0 -1 1 {} H 0.0 {0.43215 0.898017 0.421606} H791 6579 0.0 -1 1 {} H 0.0 {0.516261 0.777974 0.148737} H792 6580 0.0 -1 1 {} H 0.0 {0.421228 0.932081 0.876818} H793 6581 0.0 -1 8 {} O 0.0 {0.483276 0.855042 0.0559153} O3989 6582 0.0 -1 8 {} O 0.0 {0.559618 0.919711 0.387987} O3990 6583 0.0 -1 8 {} O 0.0 {0.422542 0.824477 0.201216} O3991 6584 0.0 -1 1 {} H 0.0 {0.514052 0.891404 0.452177} H794 6585 0.0 -1 1 {} H 0.0 {0.557523 0.888658 0.538686} H795 6586 0.0 -1 1 {} H 0.0 {0.367579 0.91844 0.979421} H796 6587 0.0 -1 1 {} H 0.0 {0.425509 0.895979 0.851927} H797 6588 0.0 -1 1 {} H 0.0 {0.61942 0.849834 0.29067} H798 6589 0.0 -1 1 {} H 0.0 {0.249398 0.937459 0.775557} H799 6590 0.0 -1 8 {} O 0.0 {0.579689 0.852524 0.460034} O3992 6591 0.0 -1 8 {} O 0.0 {0.702435 0.900776 0.618438} O3993 6592 0.0 -1 8 {} O 0.0 {0.525135 0.820296 0.248322} O3994 6593 0.0 -1 8 {} O 0.0 {0.620417 0.920225 0.0291496} O3995 6594 0.0 -1 8 {} O 0.0 {0.247511 0.928108 0.610387} O3996 6595 0.0 -1 1 {} H 0.0 {0.555588 0.806649 0.0276328} H800 6596 0.0 -1 1 {} H 0.0 {0.394656 0.918483 0.714383} H801 6597 0.0 -1 8 {} O 0.0 {0.485292 0.874366 0.851294} O3997 6598 0.0 -1 1 {} H 0.0 {0.09557 0.958142 0.647774} H802 6599 0.0 -1 1 {} H 0.0 {0.514824 0.800794 0.791687} H803 6600 0.0 -1 8 {} O 0.0 {0.394056 0.909083 0.706525} O3998 6601 0.0 -1 8 {} O 0.0 {0.48734 0.919447 0.900475} O3999 6602 0.0 -1 1 {} H 0.0 {0.63618 0.164031 0.762866} H804 6603 0.0 -1 1 {} H 0.0 {0.447799 0.181935 0.919637} H805 6604 0.0 -1 1 {} H 0.0 {0.505336 0.0872198 0.66715} H806 6605 0.0 -1 1 {} H 0.0 {0.446471 0.14725 0.945902} H807 6606 0.0 -1 1 {} H 0.0 {0.495813 0.0954089 0.506553} H808 6607 0.0 -1 8 {} O 0.0 {0.537172 0.173045 0.63368} O4000 6608 0.0 -1 8 {} O 0.0 {0.641073 0.157755 0.177867} O4001 6609 0.0 -1 1 {} H 0.0 {0.420309 0.122022 0.296847} H809 6610 0.0 -1 1 {} H 0.0 {0.483389 0.153552 0.70248} H810 6611 0.0 -1 1 {} H 0.0 {0.537062 0.0910437 0.675304} H811 6612 0.0 -1 1 {} H 0.0 {0.475038 0.0853381 0.900346} H812 6613 0.0 -1 1 {} H 0.0 {0.51103 0.136573 0.471858} H813 6614 0.0 -1 1 {} H 0.0 {0.506072 0.16967 0.110108} H814 6615 0.0 -1 1 {} H 0.0 {0.424352 0.155853 0.120001} H815 6616 0.0 -1 1 {} H 0.0 {0.473289 0.0896846 0.68545} H816 6617 0.0 -1 1 {} H 0.0 {0.484741 0.089742 0.688173} H817 6618 0.0 -1 1 {} H 0.0 {0.532387 0.106042 0.0924073} H818 6619 0.0 -1 1 {} H 0.0 {0.478917 0.0961734 0.500493} H819 6620 0.0 -1 8 {} O 0.0 {0.50885 0.0824365 0.674352} O4002 6621 0.0 -1 8 {} O 0.0 {0.53399 0.105857 0.0511171} O4003 6622 0.0 -1 8 {} O 0.0 {0.487461 0.0835423 0.676631} O4004 6623 0.0 -1 1 {} H 0.0 {0.594181 0.137282 0.833085} H820 6624 0.0 -1 1 {} H 0.0 {0.514121 0.112056 0.218834} H821 6625 0.0 -1 1 {} H 0.0 {0.568181 0.181544 0.932752} H822 6626 0.0 -1 1 {} H 0.0 {0.651787 0.12651 0.194566} H823 6627 0.0 -1 1 {} H 0.0 {0.516643 0.109016 0.285329} H824 6628 0.0 -1 1 {} H 0.0 {0.679719 0.134302 0.409573} H825 6629 0.0 -1 8 {} O 0.0 {0.508246 0.176155 0.0861271} O4005 6630 0.0 -1 8 {} O 0.0 {0.590957 0.14099 0.813375} O4006 6631 0.0 -1 8 {} O 0.0 {0.564267 0.180057 0.917581} O4007 6632 0.0 -1 8 {} O 0.0 {0.570977 0.1971 0.104026} O4008 6633 0.0 -1 8 {} O 0.0 {0.516023 0.116289 0.254633} O4009 6634 0.0 -1 1 {} H 0.0 {0.474114 0.152778 0.387921} H826 6635 0.0 -1 1 {} H 0.0 {0.198355 0.107328 0.989701} H827 6636 0.0 -1 1 {} H 0.0 {0.485065 0.118786 0.0443125} H828 6637 0.0 -1 1 {} H 0.0 {0.462985 0.175749 0.494841} H829 6638 0.0 -1 1 {} H 0.0 {0.398699 0.14162 0.673719} H830 6639 0.0 -1 1 {} H 0.0 {0.60978 0.175657 0.215044} H831 6640 0.0 -1 1 {} H 0.0 {0.223125 0.131936 0.772009} H832 6641 0.0 -1 1 {} H 0.0 {0.56101 0.208058 0.19484} H833 6642 0.0 -1 1 {} H 0.0 {0.68108 0.104856 0.0783669} H834 6643 0.0 -1 1 {} H 0.0 {0.222935 0.123697 0.711082} H835 6644 0.0 -1 1 {} H 0.0 {0.461714 0.0881135 0.533636} H836 6645 0.0 -1 8 {} O 0.0 {0.469531 0.0852184 0.687309} O4010 6646 0.0 -1 8 {} O 0.0 {0.225219 0.130555 0.733442} O4011 6647 0.0 -1 8 {} O 0.0 {0.57196 0.192988 0.613198} O4012 6648 0.0 -1 1 {} H 0.0 {0.487979 0.131974 0.938274} H837 6649 0.0 -1 1 {} H 0.0 {0.489482 0.17429 0.0451619} H838 6650 0.0 -1 1 {} H 0.0 {0.453246 0.0918698 0.865411} H839 6651 0.0 -1 1 {} H 0.0 {0.571294 0.175991 0.463599} H840 6652 0.0 -1 1 {} H 0.0 {0.193167 0.109087 0.963445} H841 6653 0.0 -1 1 {} H 0.0 {0.466536 0.189734 0.640024} H842 6654 0.0 -1 8 {} O 0.0 {0.48136 0.115005 0.0562244} O4013 6655 0.0 -1 8 {} O 0.0 {0.489466 0.16833 0.0871673} O4014 6656 0.0 -1 8 {} O 0.0 {0.446273 0.0853359 0.676105} O4015 6657 0.0 -1 8 {} O 0.0 {0.509218 0.143855 0.943757} O4016 6658 0.0 -1 8 {} O 0.0 {0.196737 0.113123 0.959974} O4017 6659 0.0 -1 1 {} H 0.0 {0.488157 0.159556 0.0729925} H843 6660 0.0 -1 1 {} H 0.0 {0.610039 0.145195 0.066422} H844 6661 0.0 -1 1 {} H 0.0 {0.440868 0.0956231 0.528112} H845 6662 0.0 -1 1 {} H 0.0 {0.4172 0.0773777 0.913719} H846 6663 0.0 -1 1 {} H 0.0 {0.388643 0.0978915 0.571656} H847 6664 0.0 -1 1 {} H 0.0 {0.46675 0.148814 0.0673047} H848 6665 0.0 -1 1 {} H 0.0 {0.290435 0.121181 0.870393} H849 6666 0.0 -1 1 {} H 0.0 {0.440818 0.166527 0.743769} H850 6667 0.0 -1 1 {} H 0.0 {0.667298 0.865936 0.84964} H851 6668 0.0 -1 1 {} H 0.0 {0.294908 0.113356 0.828306} H852 6669 0.0 -1 1 {} H 0.0 {0.41173 0.132252 0.853436} H853 6670 0.0 -1 8 {} O 0.0 {0.464362 0.171899 0.534834} O4018 6671 0.0 -1 8 {} O 0.0 {0.29262 0.121321 0.825887} O4019 6672 0.0 -1 8 {} O 0.0 {0.442113 0.167506 0.701809} O4020 6673 0.0 -1 1 {} H 0.0 {0.44529 0.161905 0.699766} H854 6674 0.0 -1 1 {} H 0.0 {0.410602 0.0966349 0.704511} H855 6675 0.0 -1 1 {} H 0.0 {0.393339 0.119773 0.765587} H856 6676 0.0 -1 1 {} H 0.0 {0.436206 0.0976486 0.827385} H857 6677 0.0 -1 1 {} H 0.0 {0.390458 0.11041 0.722927} H858 6678 0.0 -1 1 {} H 0.0 {0.534273 0.100032 0.305136} H859 6679 0.0 -1 8 {} O 0.0 {0.470601 0.145753 0.0709796} O4021 6680 0.0 -1 8 {} O 0.0 {0.407611 0.0895023 0.685925} O4022 6681 0.0 -1 8 {} O 0.0 {0.426765 0.171108 0.86794} O4023 6682 0.0 -1 8 {} O 0.0 {0.423402 0.135706 0.399408} O4024 6683 0.0 -1 8 {} O 0.0 {0.439416 0.192283 0.041578} O4025 6684 0.0 -1 1 {} H 0.0 {0.323208 0.0938466 6.41965e-005} H860 6685 0.0 -1 1 {} H 0.0 {0.32366 0.127633 0.623305} H861 6686 0.0 -1 1 {} H 0.0 {0.31546 0.108715 0.944777} H862 6687 0.0 -1 1 {} H 0.0 {0.417097 0.0279667 0.984158} H863 6688 0.0 -1 1 {} H 0.0 {0.270127 0.129689 0.572988} H864 6689 0.0 -1 1 {} H 0.0 {0.423041 0.0952991 0.693821} H865 6690 0.0 -1 1 {} H 0.0 {0.432628 0.123951 0.741261} H866 6691 0.0 -1 1 {} H 0.0 {0.46967 0.155785 0.164737} H867 6692 0.0 -1 1 {} H 0.0 {0.3536 0.0918736 0.195627} H868 6693 0.0 -1 1 {} H 0.0 {0.539795 0.0898725 0.609935} H869 6694 0.0 -1 1 {} H 0.0 {0.399809 0.0959416 0.558965} H870 6695 0.0 -1 8 {} O 0.0 {0.426091 0.089439 0.679754} O4026 6696 0.0 -1 8 {} O 0.0 {0.628442 0.100641 0.871219} O4027 6697 0.0 -1 8 {} O 0.0 {0.470466 0.158965 0.208432} O4028 6698 0.0 -1 1 {} H 0.0 {0.468483 0.153167 0.236725} H871 6699 0.0 -1 1 {} H 0.0 {0.261356 0.109407 0.418076} H872 6700 0.0 -1 1 {} H 0.0 {0.509768 0.182352 0.911099} H873 6701 0.0 -1 1 {} H 0.0 {0.32516 0.129565 0.153475} H874 6702 0.0 -1 1 {} H 0.0 {0.319004 0.133884 0.653919} H875 6703 0.0 -1 1 {} H 0.0 {0.417011 0.12668 0.876529} H876 6704 0.0 -1 8 {} O 0.0 {0.316598 0.0989306 0.954211} O4029 6705 0.0 -1 8 {} O 0.0 {0.26215 0.116154 0.385824} O4030 6706 0.0 -1 8 {} O 0.0 {0.491254 0.103779 0.205159} O4031 6707 0.0 -1 8 {} O 0.0 {0.327552 0.128017 0.188949} O4032 6708 0.0 -1 8 {} O 0.0 {0.322427 0.136343 0.639052} O4033 6709 0.0 -1 1 {} H 0.0 {0.331618 0.108726 0.479291} H877 6710 0.0 -1 1 {} H 0.0 {0.289482 0.128602 0.565095} H878 6711 0.0 -1 1 {} H 0.0 {0.275212 0.114153 0.265474} H879 6712 0.0 -1 1 {} H 0.0 {0.466609 0.179195 0.556465} H880 6713 0.0 -1 1 {} H 0.0 {0.449509 0.100117 0.582392} H881 6714 0.0 -1 1 {} H 0.0 {0.386145 0.0931302 0.668653} H882 6715 0.0 -1 1 {} H 0.0 {0.418457 0.136541 0.280374} H883 6716 0.0 -1 1 {} H 0.0 {0.444839 0.164286 0.145409} H884 6717 0.0 -1 1 {} H 0.0 {0.292259 0.0918358 0.998832} H885 6718 0.0 -1 1 {} H 0.0 {0.377027 0.121748 0.724096} H886 6719 0.0 -1 1 {} H 0.0 {0.363696 0.0909065 0.663864} H887 6720 0.0 -1 8 {} O 0.0 {0.388248 0.092357 0.709487} O4034 6721 0.0 -1 8 {} O 0.0 {0.421667 0.130969 0.281836} O4035 6722 0.0 -1 8 {} O 0.0 {0.443539 0.166922 0.188405} O4036 6723 0.0 -1 1 {} H 0.0 {0.440516 0.160905 0.19952} H888 6724 0.0 -1 1 {} H 0.0 {0.26825 0.104554 0.770012} H889 6725 0.0 -1 1 {} H 0.0 {0.317217 0.029708 0.958} H890 6726 0.0 -1 1 {} H 0.0 {0.43642 0.156619 0.654155} H891 6727 0.0 -1 1 {} H 0.0 {0.286871 0.134674 0.623772} H892 6728 0.0 -1 1 {} H 0.0 {0.416223 0.0215074 0.000297533} H893 6729 0.0 -1 8 {} O 0.0 {0.272561 0.111227 0.229937} O4037 6730 0.0 -1 8 {} O 0.0 {0.266364 0.112866 0.777482} O4038 6731 0.0 -1 8 {} O 0.0 {0.515956 0.182313 0.772121} O4039 6732 0.0 -1 8 {} O 0.0 {0.291354 0.132817 0.181606} O4040 6733 0.0 -1 8 {} O 0.0 {0.289249 0.136456 0.591398} O4041 6734 0.0 -1 1 {} H 0.0 {0.26426 0.110063 0.816473} H894 6735 0.0 -1 1 {} H 0.0 {0.321757 0.102017 0.541261} H895 6736 0.0 -1 1 {} H 0.0 {0.42038 0.89548 0.173911} H896 6737 0.0 -1 1 {} H 0.0 {0.351763 0.10212 0.0171875} H897 6738 0.0 -1 1 {} H 0.0 {0.228934 0.110722 0.259306} H898 6739 0.0 -1 1 {} H 0.0 {0.485236 0.203043 0.97225} H899 6740 0.0 -1 1 {} H 0.0 {0.144181 0.106129 0.590459} H900 6741 0.0 -1 1 {} H 0.0 {0.349647 0.100127 0.829858} H901 6742 0.0 -1 1 {} H 0.0 {0.406944 0.165809 0.827064} H902 6743 0.0 -1 1 {} H 0.0 {0.167072 0.112506 0.741261} H903 6744 0.0 -1 1 {} H 0.0 {0.29455 0.116166 0.390965} H904 6745 0.0 -1 8 {} O 0.0 {0.367413 0.0878498 0.670171} O4042 6746 0.0 -1 8 {} O 0.0 {0.167503 0.10624 0.707608} O4043 6747 0.0 -1 8 {} O 0.0 {0.410047 0.164399 0.799981} O4044 6748 0.0 -1 1 {} H 0.0 {0.356493 0.0936815 0.550088} H905 6749 0.0 -1 1 {} H 0.0 {0.275786 0.111446 0.560944} H906 6750 0.0 -1 1 {} H 0.0 {0.339013 0.0944537 0.998081} H907 6751 0.0 -1 1 {} H 0.0 {0.285834 0.101084 0.204983} H908 6752 0.0 -1 1 {} H 0.0 {0.398509 0.888855 0.2643} H909 6753 0.0 -1 1 {} H 0.0 {0.372625 0.0902241 0.530935} H910 6754 0.0 -1 8 {} O 0.0 {0.479454 0.135724 0.156027} O4045 6755 0.0 -1 8 {} O 0.0 {0.267626 0.0882099 0.661227} O4046 6756 0.0 -1 8 {} O 0.0 {0.347008 0.0840045 0.995682} O4047 6757 0.0 -1 8 {} O 0.0 {0.288945 0.105336 0.22906} O4048 6758 0.0 -1 8 {} O 0.0 {0.398868 0.893032 0.221984} O4049 6759 0.0 -1 1 {} H 0.0 {0.269083 0.0824198 0.626453} H911 6760 0.0 -1 1 {} H 0.0 {0.370563 0.115949 0.953141} H912 6761 0.0 -1 1 {} H 0.0 {0.350651 0.11594 0.978988} H913 6762 0.0 -1 8 {} O 0.0 {0.347189 0.0877949 0.69679} O4050 6763 0.0 -1 8 {} O 0.0 {0.353174 0.110936 0.00688989} O4051 6764 0.0 -1 1 {} H 0.0 {0.319963 0.0807864 0.565724} H914 6765 0.0 -1 1 {} H 0.0 {0.334051 0.0808303 0.555841} H915 6766 0.0 -1 8 {} O 0.0 {0.272275 0.1203 0.453022} O4052 6767 0.0 -1 8 {} O 0.0 {0.306923 0.094185 0.703616} O4053 6768 0.0 -1 1 {} H 0.0 {0.568314 0.213678 0.310666} H916 6769 0.0 -1 1 {} H 0.0 {0.500809 0.766217 0.0858037} H917 6770 0.0 -1 1 {} H 0.0 {0.603876 0.120612 0.135951} H918 6771 0.0 -1 1 {} H 0.0 {0.633583 0.133593 0.72196} H919 6772 0.0 -1 8 {} O 0.0 {0.633571 0.165028 0.797273} O4054 6773 0.0 -1 1 {} H 0.0 {0.412398 0.160605 0.830731} H920 6774 0.0 -1 1 {} H 0.0 {0.555855 0.121992 0.24242} H921 6775 0.0 -1 1 {} H 0.0 {0.453879 0.174752 0.912007} H922 6776 0.0 -1 8 {} O 0.0 {0.392917 0.118349 0.454763} O4055 6777 0.0 -1 8 {} O 0.0 {0.437173 0.218631 0.992529} O4056 6778 0.0 -1 8 {} O 0.0 {0.450588 0.175344 0.942512} O4057 6779 0.0 -1 1 {} H 0.0 {0.510416 0.196827 0.509861} H923 6780 0.0 -1 1 {} H 0.0 {0.280331 0.117651 0.75652} H924 6781 0.0 -1 1 {} H 0.0 {0.434352 0.927661 0.319983} H925 6782 0.0 -1 1 {} H 0.0 {0.627492 0.0961028 0.913417} H926 6783 0.0 -1 1 {} H 0.0 {0.642288 0.151497 0.144425} H927 6784 0.0 -1 1 {} H 0.0 {0.541472 0.860279 0.185253} H928 6785 0.0 -1 1 {} H 0.0 {0.519684 0.183165 0.682128} H929 6786 0.0 -1 1 {} H 0.0 {0.516865 0.864468 0.375976} H930 6787 0.0 -1 1 {} H 0.0 {0.471037 0.158733 0.77582} H931 6788 0.0 -1 1 {} H 0.0 {0.56796 0.105086 0.737257} H932 6789 0.0 -1 1 {} H 0.0 {0.342276 0.909654 0.892061} H933 6790 0.0 -1 1 {} H 0.0 {0.361905 0.106041 0.321319} H934 6791 0.0 -1 1 {} H 0.0 {0.44835 0.164222 0.919831} H935 6792 0.0 -1 1 {} H 0.0 {0.401534 0.166157 0.210553} H936 6793 0.0 -1 1 {} H 0.0 {0.581358 0.20945 0.449547} H937 6794 0.0 -1 1 {} H 0.0 {0.616296 0.121764 0.267431} H938 6795 0.0 -1 8 {} O 0.0 {0.623528 0.171315 0.753993} O4058 6796 0.0 -1 8 {} O 0.0 {0.612245 0.183842 0.210488} O4059 6797 0.0 -1 8 {} O 0.0 {0.253312 0.95004 0.529642} O4060 6798 0.0 -1 8 {} O 0.0 {0.446222 0.152775 0.903129} O4061 6799 0.0 -1 1 {} H 0.0 {0.511547 0.119837 0.462811} H939 6800 0.0 -1 1 {} H 0.0 {0.566495 0.182739 0.128315} H940 6801 0.0 -1 1 {} H 0.0 {0.538769 0.179243 0.257266} H941 6802 0.0 -1 1 {} H 0.0 {0.555733 0.827093 0.522124} H942 6803 0.0 -1 1 {} H 0.0 {0.567596 0.840706 0.784347} H943 6804 0.0 -1 1 {} H 0.0 {0.256033 0.93771 0.882347} H944 6805 0.0 -1 1 {} H 0.0 {0.621142 0.164705 0.768469} H945 6806 0.0 -1 1 {} H 0.0 {0.549311 0.103374 0.858885} H946 6807 0.0 -1 8 {} O 0.0 {0.489616 0.0999216 0.534521} O4062 6808 0.0 -1 8 {} O 0.0 {0.563336 0.176937 0.128591} O4063 6809 0.0 -1 8 {} O 0.0 {0.464144 0.184233 0.741016} O4064 6810 0.0 -1 8 {} O 0.0 {0.584793 0.875481 0.016494} O4065 6811 0.0 -1 8 {} O 0.0 {0.49532 0.145773 0.761119} O4066 6812 0.0 -1 8 {} O 0.0 {0.495187 0.90495 0.100764} O4067 6813 0.0 -1 8 {} O 0.0 {0.519231 0.151386 0.114257} O4068 6814 0.0 -1 8 {} O 0.0 {0.538642 0.177533 0.0403856} O4069 6815 0.0 -1 1 {} H 0.0 {0.5252 0.128632 0.600752} H947 6816 0.0 -1 1 {} H 0.0 {0.543803 0.146799 0.0578143} H948 6817 0.0 -1 1 {} H 0.0 {0.46331 0.180488 0.781447} H949 6818 0.0 -1 1 {} H 0.0 {0.31733 0.115896 0.679582} H950 6819 0.0 -1 1 {} H 0.0 {0.560703 0.178215 0.983923} H951 6820 0.0 -1 1 {} H 0.0 {0.489601 0.138126 0.324711} H952 6821 0.0 -1 1 {} H 0.0 {0.524137 0.0997994 0.822564} H953 6822 0.0 -1 1 {} H 0.0 {0.459431 0.856649 0.422486} H954 6823 0.0 -1 1 {} H 0.0 {0.533154 0.203846 0.656981} H955 6824 0.0 -1 1 {} H 0.0 {0.52877 0.129109 0.662767} H956 6825 0.0 -1 1 {} H 0.0 {0.413551 0.120572 0.380209} H957 6826 0.0 -1 1 {} H 0.0 {0.509277 0.208631 0.695564} H958 6827 0.0 -1 1 {} H 0.0 {0.423694 0.175147 0.170227} H959 6828 0.0 -1 1 {} H 0.0 {0.414312 0.12657 0.446774} H960 6829 0.0 -1 1 {} H 0.0 {0.539161 0.168884 0.836667} H961 6830 0.0 -1 1 {} H 0.0 {0.552723 0.215656 0.35291} H962 6831 0.0 -1 8 {} O 0.0 {0.4982 0.0924013 0.641645} O4070 6832 0.0 -1 8 {} O 0.0 {0.532738 0.198102 0.619165} O4071 6833 0.0 -1 8 {} O 0.0 {0.412676 0.127746 0.406528} O4072 6834 0.0 -1 8 {} O 0.0 {0.498306 0.098141 0.329716} O4073 6835 0.0 -1 1 {} H 0.0 {0.44191 0.137821 0.276797} H963 6836 0.0 -1 1 {} H 0.0 {0.424399 0.0986033 0.19989} H964 6837 0.0 -1 1 {} H 0.0 {0.510936 0.154176 0.727225} H965 6838 0.0 -1 1 {} H 0.0 {0.517199 0.0866658 0.656836} H966 6839 0.0 -1 1 {} H 0.0 {0.379321 0.137616 0.327093} H967 6840 0.0 -1 1 {} H 0.0 {0.488109 0.799713 0.300433} H968 6841 0.0 -1 1 {} H 0.0 {0.475491 0.12123 0.00546242} H969 6842 0.0 -1 1 {} H 0.0 {0.198264 0.136968 0.0250253} H970 6843 0.0 -1 8 {} O 0.0 {0.443604 0.133044 0.314136} O4074 6844 0.0 -1 8 {} O 0.0 {0.467278 0.156149 0.780553} O4075 6845 0.0 -1 8 {} O 0.0 {0.56845 0.206966 0.277086} O4076 6846 0.0 -1 8 {} O 0.0 {0.48892 0.184669 0.984925} O4077 6847 0.0 -1 8 {} O 0.0 {0.397923 0.176264 0.732146} O4078 6848 0.0 -1 8 {} O 0.0 {0.488436 0.136262 0.369935} O4079 6849 0.0 -1 8 {} O 0.0 {0.522338 0.182643 0.648892} O4080 6850 0.0 -1 8 {} O 0.0 {0.427455 0.104681 0.208802} O4081 6851 0.0 -1 1 {} H 0.0 {0.424247 0.135045 0.354374} H971 6852 0.0 -1 1 {} H 0.0 {0.341174 0.128398 0.258757} H972 6853 0.0 -1 1 {} H 0.0 {0.544409 0.141876 0.433332} H973 6854 0.0 -1 1 {} H 0.0 {0.415182 0.165643 0.705259} H974 6855 0.0 -1 1 {} H 0.0 {0.419755 0.132475 0.401019} H975 6856 0.0 -1 1 {} H 0.0 {0.345059 0.0945669 0.228648} H976 6857 0.0 -1 1 {} H 0.0 {0.473853 0.13531 0.629665} H977 6858 0.0 -1 1 {} H 0.0 {0.560361 0.91173 0.84663} H978 6859 0.0 -1 1 {} H 0.0 {0.331541 0.116792 0.153301} H979 6860 0.0 -1 1 {} H 0.0 {0.580497 0.121826 0.637132} H980 6861 0.0 -1 1 {} H 0.0 {0.589534 0.118456 0.527286} H981 6862 0.0 -1 1 {} H 0.0 {0.540891 0.777982 0.702541} H982 6863 0.0 -1 1 {} H 0.0 {0.508735 0.122583 0.627077} H983 6864 0.0 -1 1 {} H 0.0 {0.607643 0.156544 0.15339} H984 6865 0.0 -1 1 {} H 0.0 {0.466779 0.0872739 0.893192} H985 6866 0.0 -1 1 {} H 0.0 {0.560463 0.193446 0.178269} H986 6867 0.0 -1 8 {} O 0.0 {0.333416 0.111253 0.119396} O4082 6868 0.0 -1 8 {} O 0.0 {0.414667 0.134268 0.881396} O4083 6869 0.0 -1 8 {} O 0.0 {0.58851 0.127825 0.51563} O4084 6870 0.0 -1 8 {} O 0.0 {0.30664 0.101867 0.536124} O4085 6871 0.0 -1 1 {} H 0.0 {0.39501 0.0997729 0.0359504} H987 6872 0.0 -1 1 {} H 0.0 {0.382803 0.0932961 0.569622} H988 6873 0.0 -1 1 {} H 0.0 {0.458537 0.107551 0.480728} H989 6874 0.0 -1 1 {} H 0.0 {0.400633 0.842728 0.056197} H990 6875 0.0 -1 1 {} H 0.0 {0.476413 0.141657 0.147745} H991 6876 0.0 -1 1 {} H 0.0 {0.383283 0.14387 0.744978} H992 6877 0.0 -1 1 {} H 0.0 {0.390997 0.135891 0.434404} H993 6878 0.0 -1 1 {} H 0.0 {0.399088 0.157153 0.258522} H994 6879 0.0 -1 8 {} O 0.0 {0.402198 0.160419 0.245739} O4086 6880 0.0 -1 8 {} O 0.0 {0.669577 0.858237 0.842346} O4087 6881 0.0 -1 8 {} O 0.0 {0.459575 0.115595 0.457055} O4088 6882 0.0 -1 8 {} O 0.0 {0.427761 0.160566 0.12217} O4089 6883 0.0 -1 8 {} O 0.0 {0.382815 0.127987 0.583912} O4090 6884 0.0 -1 8 {} O 0.0 {0.386986 0.144862 0.742043} O4091 6885 0.0 -1 8 {} O 0.0 {0.389762 0.144991 0.417973} O4092 6886 0.0 -1 8 {} O 0.0 {0.385054 0.099337 0.593943} O4093 6887 0.0 -1 1 {} H 0.0 {0.334179 0.107981 0.784363} H995 6888 0.0 -1 1 {} H 0.0 {0.457997 0.0991266 0.281783} H996 6889 0.0 -1 1 {} H 0.0 {0.405088 0.833459 0.0360572} H997 6890 0.0 -1 1 {} H 0.0 {0.158333 0.102617 0.535874} H998 6891 0.0 -1 1 {} H 0.0 {0.40863 0.0986923 0.540149} H999 6892 0.0 -1 1 {} H 0.0 {0.417846 0.119901 0.54664} H1000 6893 0.0 -1 1 {} H 0.0 {0.455721 0.119465 0.98495} H1001 6894 0.0 -1 1 {} H 0.0 {0.601895 0.820352 0.81226} H1002 6895 0.0 -1 1 {} H 0.0 {0.558916 0.130953 0.320107} H1003 6896 0.0 -1 1 {} H 0.0 {0.392756 0.120052 0.117935} H1004 6897 0.0 -1 1 {} H 0.0 {0.539585 0.166359 0.398195} H1005 6898 0.0 -1 1 {} H 0.0 {0.504552 0.134894 0.329488} H1006 6899 0.0 -1 1 {} H 0.0 {0.500821 0.127065 0.375866} H1007 6900 0.0 -1 1 {} H 0.0 {0.411237 0.138822 0.714453} H1008 6901 0.0 -1 1 {} H 0.0 {0.358353 0.117887 0.322713} H1009 6902 0.0 -1 1 {} H 0.0 {0.325284 0.125411 0.456736} H1010 6903 0.0 -1 8 {} O 0.0 {0.558327 0.202065 0.176534} O4094 6904 0.0 -1 8 {} O 0.0 {0.417952 0.132365 0.618732} O4095 6905 0.0 -1 8 {} O 0.0 {0.409955 0.131253 0.741051} O4096 6906 0.0 -1 8 {} O 0.0 {0.500562 0.133569 0.341037} O4097 6907 0.0 -1 1 {} H 0.0 {0.496177 0.0924496 0.354896} H1011 6908 0.0 -1 1 {} H 0.0 {0.455338 0.0975314 0.344502} H1012 6909 0.0 -1 1 {} H 0.0 {0.620563 0.845778 0.954709} H1013 6910 0.0 -1 1 {} H 0.0 {0.25474 0.119494 0.912907} H1014 6911 0.0 -1 1 {} H 0.0 {0.420217 0.162808 0.886086} H1015 6912 0.0 -1 1 {} H 0.0 {0.914885 0.114021 0.685936} H1016 6913 0.0 -1 1 {} H 0.0 {0.304834 0.142784 0.934771} H1017 6914 0.0 -1 1 {} H 0.0 {0.265001 0.138331 0.551195} H1018 6915 0.0 -1 8 {} O 0.0 {0.543172 0.152146 0.238767} O4098 6916 0.0 -1 8 {} O 0.0 {0.458825 0.0997889 0.326355} O4099 6917 0.0 -1 8 {} O 0.0 {0.538423 0.79706 0.355924} O4100 6918 0.0 -1 8 {} O 0.0 {0.213503 0.125731 0.832831} O4101 6919 0.0 -1 8 {} O 0.0 {0.647676 0.15021 0.782301} O4102 6920 0.0 -1 8 {} O 0.0 {0.419376 0.114831 0.508279} O4103 6921 0.0 -1 8 {} O 0.0 {0.254995 0.131206 0.307314} O4104 6922 0.0 -1 8 {} O 0.0 {0.269127 0.137677 0.548428} O4105 6923 0.0 -1 1 {} H 0.0 {0.433269 0.162321 0.600446} H1019 6924 0.0 -1 1 {} H 0.0 {0.513536 0.200376 0.612807} H1020 6925 0.0 -1 1 {} H 0.0 {0.482504 0.176992 0.399223} H1021 6926 0.0 -1 1 {} H 0.0 {0.413251 0.11604 0.717271} H1022 6927 0.0 -1 1 {} H 0.0 {0.374271 0.078139 0.909367} H1023 6928 0.0 -1 1 {} H 0.0 {0.160681 0.106574 0.849749} H1024 6929 0.0 -1 1 {} H 0.0 {0.385252 0.096819 0.192792} H1025 6930 0.0 -1 1 {} H 0.0 {0.348027 0.127019 0.370233} H1026 6931 0.0 -1 1 {} H 0.0 {0.408286 0.0980459 0.933588} H1027 6932 0.0 -1 1 {} H 0.0 {0.380256 0.117494 0.040044} H1028 6933 0.0 -1 1 {} H 0.0 {0.301822 0.105266 0.349548} H1029 6934 0.0 -1 1 {} H 0.0 {0.193176 0.106447 0.519578} H1030 6935 0.0 -1 1 {} H 0.0 {0.542 0.801257 0.362036} H1031 6936 0.0 -1 1 {} H 0.0 {0.303178 0.117551 0.395982} H1032 6937 0.0 -1 1 {} H 0.0 {0.383584 0.123035 0.0965443} H1033 6938 0.0 -1 1 {} H 0.0 {0.358937 0.0896173 0.871513} H1034 6939 0.0 -1 8 {} O 0.0 {0.321752 0.129391 0.468807} O4106 6940 0.0 -1 8 {} O 0.0 {0.380101 0.122769 0.0799407} O4107 6941 0.0 -1 8 {} O 0.0 {0.300822 0.11413 0.35962} O4108 6942 0.0 -1 8 {} O 0.0 {0.166795 0.10463 0.0215995} O4109 6943 0.0 -1 1 {} H 0.0 {0.477176 0.181434 0.0539178} H1035 6944 0.0 -1 1 {} H 0.0 {0.484184 0.174449 0.122186} H1036 6945 0.0 -1 1 {} H 0.0 {0.142797 0.100923 0.265548} H1037 6946 0.0 -1 1 {} H 0.0 {0.41911 0.155342 0.685762} H1038 6947 0.0 -1 1 {} H 0.0 {0.451869 0.14459 0.775156} H1039 6948 0.0 -1 1 {} H 0.0 {0.48177 0.150685 0.472355} H1040 6949 0.0 -1 1 {} H 0.0 {0.3904 0.0905915 0.873333} H1041 6950 0.0 -1 1 {} H 0.0 {0.435459 0.120191 0.0422885} H1042 6951 0.0 -1 8 {} O 0.0 {0.515351 0.197072 0.571588} O4110 6952 0.0 -1 8 {} O 0.0 {0.480186 0.177787 0.131154} O4111 6953 0.0 -1 8 {} O 0.0 {0.494221 0.881211 0.640227} O4112 6954 0.0 -1 8 {} O 0.0 {0.431294 0.124884 0.784591} O4113 6955 0.0 -1 8 {} O 0.0 {0.485419 0.170629 0.411313} O4114 6956 0.0 -1 8 {} O 0.0 {0.481621 0.153869 0.428042} O4115 6957 0.0 -1 8 {} O 0.0 {0.487393 0.136187 0.899794} O4116 6958 0.0 -1 8 {} O 0.0 {0.447531 0.100771 0.541448} O4117 6959 0.0 -1 1 {} H 0.0 {0.242692 0.110701 0.984003} H1043 6960 0.0 -1 1 {} H 0.0 {0.169554 0.100109 0.271727} H1044 6961 0.0 -1 1 {} H 0.0 {0.440039 0.845435 0.505584} H1045 6962 0.0 -1 1 {} H 0.0 {0.330261 0.105383 0.102212} H1046 6963 0.0 -1 1 {} H 0.0 {0.487313 0.128834 0.869775} H1047 6964 0.0 -1 1 {} H 0.0 {0.153779 0.121072 0.248941} H1048 6965 0.0 -1 1 {} H 0.0 {0.233285 0.103024 0.00257011} H1049 6966 0.0 -1 1 {} H 0.0 {0.293671 0.915843 0.498857} H1050 6967 0.0 -1 1 {} H 0.0 {0.290739 0.113422 0.447331} H1051 6968 0.0 -1 1 {} H 0.0 {0.225855 0.111365 0.195712} H1052 6969 0.0 -1 1 {} H 0.0 {0.368279 0.130998 0.866538} H1053 6970 0.0 -1 1 {} H 0.0 {0.44902 0.189095 0.136122} H1054 6971 0.0 -1 1 {} H 0.0 {0.483804 0.181173 0.865287} H1055 6972 0.0 -1 1 {} H 0.0 {0.365706 0.0900447 0.996048} H1056 6973 0.0 -1 1 {} H 0.0 {0.135438 0.105898 0.194289} H1057 6974 0.0 -1 1 {} H 0.0 {0.417463 0.163724 0.447388} H1058 6975 0.0 -1 8 {} O 0.0 {0.290583 0.115775 0.402455} O4118 6976 0.0 -1 8 {} O 0.0 {0.229308 0.114301 0.217557} O4119 6977 0.0 -1 8 {} O 0.0 {0.344307 0.126481 0.231919} O4120 6978 0.0 -1 8 {} O 0.0 {0.48412 0.190421 0.855804} O4121 6979 0.0 -1 1 {} H 0.0 {0.257717 0.0966727 0.544494} H1059 6980 0.0 -1 1 {} H 0.0 {0.162872 0.0989924 0.271218} H1060 6981 0.0 -1 1 {} H 0.0 {0.672704 0.109733 0.639375} H1061 6982 0.0 -1 1 {} H 0.0 {0.297587 0.0948903 0.897694} H1062 6983 0.0 -1 1 {} H 0.0 {0.431726 0.903457 0.611616} H1063 6984 0.0 -1 1 {} H 0.0 {0.274847 0.118449 0.797078} H1064 6985 0.0 -1 1 {} H 0.0 {0.277221 0.099196 0.93171} H1065 6986 0.0 -1 1 {} H 0.0 {0.479907 0.205147 0.67753} H1066 6987 0.0 -1 8 {} O 0.0 {0.273599 0.113936 0.597046} O4122 6988 0.0 -1 8 {} O 0.0 {0.165926 0.102448 0.300931} O4123 6989 0.0 -1 8 {} O 0.0 {0.678715 0.116911 0.624928} O4124 6990 0.0 -1 8 {} O 0.0 {0.327876 0.086497 0.666945} O4125 6991 0.0 -1 8 {} O 0.0 {0.441228 0.84581 0.823239} O4126 6992 0.0 -1 8 {} O 0.0 {0.278549 0.117235 0.802613} O4127 6993 0.0 -1 8 {} O 0.0 {0.277003 0.0987549 0.976007} O4128 6994 0.0 -1 8 {} O 0.0 {0.287794 0.091602 0.352437} O4129 6995 0.0 -1 1 {} H 0.0 {0.241455 0.107911 0.457842} H1067 6996 0.0 -1 1 {} H 0.0 {0.679518 0.112543 0.583694} H1068 6997 0.0 -1 1 {} H 0.0 {0.210369 0.0980306 0.508523} H1069 6998 0.0 -1 1 {} H 0.0 {0.805993 0.106076 0.304024} H1070 6999 0.0 -1 8 {} O 0.0 {0.239632 0.116939 0.971753} O4130 7000 0.0 -1 8 {} O 0.0 {0.806387 0.106925 0.351216} O4131 7001 0.0 -1 1 {} H 0.0 {0.333157 0.0967415 0.989318} H1071 7002 0.0 -1 1 {} H 0.0 {0.486608 0.180853 0.951351} H1072 7003 0.0 -1 1 {} H 0.0 {0.234169 0.104667 0.843961} H1073 7004 0.0 -1 8 {} O 0.0 {0.247969 0.0990984 0.68356} O4132 7005 0.0 -1 8 {} O 0.0 {0.510935 0.134936 0.329345} O4133 7006 0.0 -1 8 {} O 0.0 {0.229515 0.100571 0.995732} O4134 7007 0.0 -1 1 {} H 0.0 {0.679689 0.930213 0.00217374} H1074 7008 0.0 -1 1 {} H 0.0 {0.455787 0.920232 0.585222} H1075 7009 0.0 -1 1 {} H 0.0 {0.466358 0.192005 0.150185} H1076 7010 0.0 -1 1 {} H 0.0 {0.292829 0.936031 0.35202} H1077 7011 0.0 -1 8 {} O 0.0 {0.542582 0.819228 0.929519} O4135 7012 0.0 -1 1 {} H 0.0 {0.496953 0.808512 0.576466} H1078 7013 0.0 -1 1 {} H 0.0 {0.677573 0.925137 0.488473} H1079 7014 0.0 -1 1 {} H 0.0 {0.53206 0.113631 0.4568} H1080 7015 0.0 -1 8 {} O 0.0 {0.511259 0.748467 0.1182} O4136 7016 0.0 -1 8 {} O 0.0 {0.675556 0.91746 0.502871} O4137 7017 0.0 -1 8 {} O 0.0 {0.522189 0.87188 0.467173} O4138 7018 0.0 -1 1 {} H 0.0 {0.477484 0.0238086 0.324678} H1081 7019 0.0 -1 1 {} H 0.0 {0.473917 0.872604 0.0979055} H1082 7020 0.0 -1 1 {} H 0.0 {0.415888 0.860123 0.433263} H1083 7021 0.0 -1 1 {} H 0.0 {0.298667 0.939373 0.178668} H1084 7022 0.0 -1 1 {} H 0.0 {0.537328 0.888479 0.266304} H1085 7023 0.0 -1 1 {} H 0.0 {0.61176 0.883008 0.428797} H1086 7024 0.0 -1 1 {} H 0.0 {0.330622 0.926113 0.274751} H1087 7025 0.0 -1 1 {} H 0.0 {0.459529 0.920319 0.997336} H1088 7026 0.0 -1 1 {} H 0.0 {0.536847 0.801593 0.317549} H1089 7027 0.0 -1 1 {} H 0.0 {0.401783 0.11919 0.598091} H1090 7028 0.0 -1 1 {} H 0.0 {0.490076 0.781399 0.377125} H1091 7029 0.0 -1 1 {} H 0.0 {0.327115 0.921948 0.16476} H1092 7030 0.0 -1 1 {} H 0.0 {0.301358 0.936501 0.724539} H1093 7031 0.0 -1 1 {} H 0.0 {0.570907 0.929508 0.507081} H1094 7032 0.0 -1 1 {} H 0.0 {0.448793 0.148286 0.870974} H1095 7033 0.0 -1 1 {} H 0.0 {0.689344 0.11098 0.34927} H1096 7034 0.0 -1 8 {} O 0.0 {0.446881 0.838086 0.950798} O4139 7035 0.0 -1 8 {} O 0.0 {0.400283 0.126314 0.625985} O4140 7036 0.0 -1 8 {} O 0.0 {0.659512 0.905243 0.68644} O4141 7037 0.0 -1 8 {} O 0.0 {0.324395 0.926504 0.140504} O4142 7038 0.0 -1 1 {} H 0.0 {0.620989 0.125192 0.798507} H1097 7039 0.0 -1 1 {} H 0.0 {0.45854 0.890471 0.484857} H1098 7040 0.0 -1 1 {} H 0.0 {0.470025 0.909699 0.04981} H1099 7041 0.0 -1 1 {} H 0.0 {0.728497 0.896322 0.0522199} H1100 7042 0.0 -1 1 {} H 0.0 {0.488197 0.851287 0.534991} H1101 7043 0.0 -1 1 {} H 0.0 {0.63469 0.917127 0.2154} H1102 7044 0.0 -1 1 {} H 0.0 {0.688542 0.915535 0.147734} H1103 7045 0.0 -1 1 {} H 0.0 {0.466654 0.876464 0.132572} H1104 7046 0.0 -1 8 {} O 0.0 {0.706834 0.100634 0.53874} O4143 7047 0.0 -1 8 {} O 0.0 {0.456966 0.899224 0.472256} O4144 7048 0.0 -1 8 {} O 0.0 {0.575238 0.846423 0.667799} O4145 7049 0.0 -1 8 {} O 0.0 {0.72631 0.891294 0.0223338} O4146 7050 0.0 -1 8 {} O 0.0 {0.527746 0.930133 0.80811} O4147 7051 0.0 -1 8 {} O 0.0 {0.613174 0.879088 0.391834} O4148 7052 0.0 -1 8 {} O 0.0 {0.677859 0.924744 0.0333792} O4149 7053 0.0 -1 8 {} O 0.0 {0.517281 0.856671 0.349606} O4150 7054 0.0 -1 1 {} H 0.0 {0.514788 0.122287 0.719934} H1105 7055 0.0 -1 1 {} H 0.0 {0.579844 0.859757 0.492835} H1106 7056 0.0 -1 1 {} H 0.0 {0.532968 0.84498 0.827222} H1107 7057 0.0 -1 1 {} H 0.0 {0.376921 0.895326 0.103059} H1108 7058 0.0 -1 1 {} H 0.0 {0.675896 0.927431 0.405059} H1109 7059 0.0 -1 1 {} H 0.0 {0.588017 0.82264 0.58947} H1110 7060 0.0 -1 1 {} H 0.0 {0.463143 0.853702 0.038055} H1111 7061 0.0 -1 1 {} H 0.0 {0.574365 0.834566 0.843684} H1112 7062 0.0 -1 1 {} H 0.0 {0.885376 0.107838 0.215765} H1113 7063 0.0 -1 1 {} H 0.0 {0.602589 0.896499 0.213593} H1114 7064 0.0 -1 1 {} H 0.0 {0.666941 0.919985 0.549141} H1115 7065 0.0 -1 1 {} H 0.0 {0.549044 0.880313 0.730323} H1116 7066 0.0 -1 1 {} H 0.0 {0.739372 0.944377 0.75041} H1117 7067 0.0 -1 1 {} H 0.0 {0.586502 0.848598 0.434825} H1118 7068 0.0 -1 1 {} H 0.0 {0.535827 0.834169 0.626424} H1119 7069 0.0 -1 1 {} H 0.0 {0.59298 0.896775 0.0803062} H1120 7070 0.0 -1 8 {} O 0.0 {0.619029 0.11141 0.542021} O4151 7071 0.0 -1 8 {} O 0.0 {0.50603 0.901909 0.635082} O4152 7072 0.0 -1 8 {} O 0.0 {0.66384 0.919845 0.577899} O4153 7073 0.0 -1 8 {} O 0.0 {0.458764 0.855286 0.377406} O4154 7074 0.0 -1 1 {} H 0.0 {0.402376 0.117252 0.0878749} H1121 7075 0.0 -1 1 {} H 0.0 {0.59593 0.889402 0.701149} H1122 7076 0.0 -1 1 {} H 0.0 {0.596119 0.819333 0.794278} H1123 7077 0.0 -1 1 {} H 0.0 {0.574975 0.873818 0.379243} H1124 7078 0.0 -1 1 {} H 0.0 {0.481203 0.893795 0.448608} H1125 7079 0.0 -1 1 {} H 0.0 {0.437545 0.88187 0.998304} H1126 7080 0.0 -1 1 {} H 0.0 {0.514184 0.820759 0.555764} H1127 7081 0.0 -1 1 {} H 0.0 {0.408484 0.881069 0.735301} H1128 7082 0.0 -1 8 {} O 0.0 {0.53493 0.147818 0.162536} O4155 7083 0.0 -1 8 {} O 0.0 {0.617975 0.929763 0.399523} O4156 7084 0.0 -1 8 {} O 0.0 {0.53768 0.78835 0.489907} O4157 7085 0.0 -1 8 {} O 0.0 {0.59967 0.816844 0.780383} O4158 7086 0.0 -1 8 {} O 0.0 {0.481772 0.886801 0.415833} O4159 7087 0.0 -1 8 {} O 0.0 {0.452695 0.88318 0.843964} O4160 7088 0.0 -1 8 {} O 0.0 {0.437279 0.925025 0.0284548} O4161 7089 0.0 -1 8 {} O 0.0 {0.408423 0.871779 0.714212} O4162 7090 0.0 -1 1 {} H 0.0 {0.207555 0.117859 0.0589677} H1129 7091 0.0 -1 1 {} H 0.0 {0.56655 0.889017 0.967696} H1130 7092 0.0 -1 1 {} H 0.0 {0.69594 0.940518 0.837829} H1131 7093 0.0 -1 1 {} H 0.0 {0.532641 0.799779 0.504513} H1132 7094 0.0 -1 1 {} H 0.0 {0.381426 0.128351 0.62853} H1133 7095 0.0 -1 1 {} H 0.0 {0.479444 0.173405 0.761694} H1134 7096 0.0 -1 1 {} H 0.0 {0.502583 0.828982 0.686814} H1135 7097 0.0 -1 1 {} H 0.0 {0.377686 0.86916 0.543736} H1136 7098 0.0 -1 1 {} H 0.0 {0.592529 0.848734 0.108534} H1137 7099 0.0 -1 1 {} H 0.0 {0.63437 0.894496 0.97067} H1138 7100 0.0 -1 1 {} H 0.0 {0.467856 0.861292 0.0100955} H1139 7101 0.0 -1 1 {} H 0.0 {0.592603 0.922814 0.302591} H1140 7102 0.0 -1 1 {} H 0.0 {0.517535 0.769793 0.209252} H1141 7103 0.0 -1 1 {} H 0.0 {0.251411 0.942612 0.549027} H1142 7104 0.0 -1 1 {} H 0.0 {0.473546 0.124655 0.734501} H1143 7105 0.0 -1 1 {} H 0.0 {0.659149 0.91341 0.716292} H1144 7106 0.0 -1 8 {} O 0.0 {0.613844 0.901668 0.214704} O4163 7107 0.0 -1 8 {} O 0.0 {0.631437 0.88791 0.965881} O4164 7108 0.0 -1 8 {} O 0.0 {0.465497 0.853903 0.999773} O4165 7109 0.0 -1 8 {} O 0.0 {0.517833 0.769169 0.160204} O4166 7110 0.0 -1 1 {} H 0.0 {0.364071 0.106487 0.93585} H1145 7111 0.0 -1 1 {} H 0.0 {0.209068 0.124082 0.117369} H1146 7112 0.0 -1 1 {} H 0.0 {0.524399 0.860508 0.204337} H1147 7113 0.0 -1 1 {} H 0.0 {0.644046 0.894841 0.833611} H1148 7114 0.0 -1 1 {} H 0.0 {0.529555 0.880064 0.241576} H1149 7115 0.0 -1 1 {} H 0.0 {0.50667 0.151769 0.536497} H1150 7116 0.0 -1 1 {} H 0.0 {0.39665 0.898431 0.90896} H1151 7117 0.0 -1 1 {} H 0.0 {0.250267 0.108898 0.199806} H1152 7118 0.0 -1 8 {} O 0.0 {0.36184 0.115287 0.311735} O4167 7119 0.0 -1 8 {} O 0.0 {0.42918 0.89854 0.841563} O4168 7120 0.0 -1 8 {} O 0.0 {0.52494 0.861465 0.250885} O4169 7121 0.0 -1 8 {} O 0.0 {0.647308 0.88861 0.851058} O4170 7122 0.0 -1 8 {} O 0.0 {0.530635 0.889067 0.24198} O4171 7123 0.0 -1 8 {} O 0.0 {0.55572 0.150844 0.00476578} O4172 7124 0.0 -1 8 {} O 0.0 {0.399317 0.900929 0.942778} O4173 7125 0.0 -1 8 {} O 0.0 {0.247638 0.115381 0.199413} O4174 7126 0.0 -1 1 {} H 0.0 {0.505727 0.141797 0.98486} H1153 7127 0.0 -1 1 {} H 0.0 {0.664868 0.138077 0.731818} H1154 7128 0.0 -1 1 {} H 0.0 {0.524706 0.904164 0.997267} H1155 7129 0.0 -1 1 {} H 0.0 {0.535677 0.924731 0.0499304} H1156 7130 0.0 -1 1 {} H 0.0 {0.624406 0.110196 0.0798028} H1157 7131 0.0 -1 1 {} H 0.0 {0.537812 0.79096 0.440212} H1158 7132 0.0 -1 1 {} H 0.0 {0.159457 0.116201 0.340984} H1159 7133 0.0 -1 1 {} H 0.0 {0.507571 0.840514 0.963725} H1160 7134 0.0 -1 1 {} H 0.0 {0.600465 0.890733 0.114866} H1161 7135 0.0 -1 1 {} H 0.0 {0.494783 0.185394 0.811869} H1162 7136 0.0 -1 1 {} H 0.0 {0.605965 0.823181 0.338424} H1163 7137 0.0 -1 1 {} H 0.0 {0.585097 0.897764 0.779479} H1164 7138 0.0 -1 1 {} H 0.0 {0.378604 0.920241 0.84073} H1165 7139 0.0 -1 1 {} H 0.0 {0.61121 0.923376 0.646718} H1166 7140 0.0 -1 1 {} H 0.0 {0.540096 0.105171 0.129858} H1167 7141 0.0 -1 1 {} H 0.0 {0.588887 0.827072 0.913576} H1168 7142 0.0 -1 8 {} O 0.0 {0.59973 0.89324 0.0677434} O4175 7143 0.0 -1 8 {} O 0.0 {0.398188 0.148463 0.70512} O4176 7144 0.0 -1 8 {} O 0.0 {0.53729 0.776517 0.940602} O4177 7145 0.0 -1 8 {} O 0.0 {0.473846 0.921515 0.31379} O4178 7146 0.0 -1 1 {} H 0.0 {0.515081 0.179378 0.939345} H1169 7147 0.0 -1 1 {} H 0.0 {0.459461 0.105219 0.902456} H1170 7148 0.0 -1 1 {} H 0.0 {0.633248 0.880406 0.946748} H1171 7149 0.0 -1 1 {} H 0.0 {0.418037 0.838162 0.265543} H1172 7150 0.0 -1 1 {} H 0.0 {0.630787 0.903676 0.391631} H1173 7151 0.0 -1 1 {} H 0.0 {0.574195 0.795862 0.488396} H1174 7152 0.0 -1 1 {} H 0.0 {0.530002 0.792574 0.00343668} H1175 7153 0.0 -1 1 {} H 0.0 {0.621304 0.844066 0.561258} H1176 7154 0.0 -1 8 {} O 0.0 {0.534109 0.115895 0.869445} O4179 7155 0.0 -1 8 {} O 0.0 {0.668398 0.137597 0.748932} O4180 7156 0.0 -1 8 {} O 0.0 {0.511203 0.787668 0.0989831} O4181 7157 0.0 -1 8 {} O 0.0 {0.505841 0.929009 0.492047} O4182 7158 0.0 -1 8 {} O 0.0 {0.629192 0.899527 0.353482} O4183 7159 0.0 -1 8 {} O 0.0 {0.521633 0.837219 0.462661} O4184 7160 0.0 -1 8 {} O 0.0 {0.53253 0.791864 0.0373442} O4185 7161 0.0 -1 8 {} O 0.0 {0.73886 0.950174 0.16854} O4186 7162 0.0 -1 1 {} H 0.0 {0.501054 0.939828 0.500433} H1177 7163 0.0 -1 1 {} H 0.0 {0.591677 0.909596 0.264441} H1178 7164 0.0 -1 1 {} H 0.0 {0.418802 0.913591 0.33081} H1179 7165 0.0 -1 1 {} H 0.0 {0.416674 0.928581 0.771258} H1180 7166 0.0 -1 1 {} H 0.0 {0.496771 0.16177 0.112035} H1181 7167 0.0 -1 1 {} H 0.0 {0.481115 0.866039 0.108559} H1182 7168 0.0 -1 1 {} H 0.0 {0.389933 0.935433 0.368049} H1183 7169 0.0 -1 1 {} H 0.0 {0.524879 0.85894 0.607923} H1184 7170 0.0 -1 1 {} H 0.0 {0.47657 0.928149 0.305537} H1185 7171 0.0 -1 1 {} H 0.0 {0.557087 0.781208 0.257713} H1186 7172 0.0 -1 1 {} H 0.0 {0.493319 0.888952 0.611372} H1187 7173 0.0 -1 1 {} H 0.0 {0.436301 0.0980912 0.957024} H1188 7174 0.0 -1 1 {} H 0.0 {0.621872 0.858668 0.561042} H1189 7175 0.0 -1 1 {} H 0.0 {0.649426 0.932044 0.47948} H1190 7176 0.0 -1 1 {} H 0.0 {0.519416 0.762279 0.770249} H1191 7177 0.0 -1 1 {} H 0.0 {0.578435 0.807811 0.288756} H1192 7178 0.0 -1 8 {} O 0.0 {0.544322 0.875978 0.149946} O4187 7179 0.0 -1 8 {} O 0.0 {0.512772 0.88229 0.44795} O4188 7180 0.0 -1 8 {} O 0.0 {0.646099 0.930679 0.454449} O4189 7181 0.0 -1 8 {} O 0.0 {0.387526 0.0953035 0.896632} O4190 7182 0.0 -1 1 {} H 0.0 {0.536729 0.781865 0.902755} H1193 7183 0.0 -1 1 {} H 0.0 {0.277465 0.936924 0.842973} H1194 7184 0.0 -1 1 {} H 0.0 {0.459408 0.922189 0.922158} H1195 7185 0.0 -1 1 {} H 0.0 {0.72433 0.921971 0.535878} H1196 7186 0.0 -1 1 {} H 0.0 {0.563665 0.90929 0.560163} H1197 7187 0.0 -1 1 {} H 0.0 {0.500396 0.841846 0.89435} H1198 7188 0.0 -1 1 {} H 0.0 {0.183115 0.104903 0.0100886} H1199 7189 0.0 -1 1 {} H 0.0 {0.363026 0.114685 0.197373} H1200 7190 0.0 -1 8 {} O 0.0 {0.418288 0.892462 0.213196} O4191 7191 0.0 -1 8 {} O 0.0 {0.594383 0.915428 0.281957} O4192 7192 0.0 -1 8 {} O 0.0 {0.18602 0.0980906 0.00246993} O4193 7193 0.0 -1 8 {} O 0.0 {0.72216 0.921706 0.574203} O4194 7194 0.0 -1 8 {} O 0.0 {0.562442 0.901209 0.576852} O4195 7195 0.0 -1 8 {} O 0.0 {0.496538 0.84382 0.890059} O4196 7196 0.0 -1 8 {} O 0.0 {0.619126 0.852207 0.549542} O4197 7197 0.0 -1 8 {} O 0.0 {0.362173 0.112876 0.154303} O4198 7198 0.0 -1 1 {} H 0.0 {0.591034 0.844592 0.646511} H1201 7199 0.0 -1 1 {} H 0.0 {0.309228 0.0958501 0.51333} H1202 7200 0.0 -1 1 {} H 0.0 {0.594588 0.876145 0.426497} H1203 7201 0.0 -1 1 {} H 0.0 {0.133699 0.105166 0.531218} H1204 7202 0.0 -1 1 {} H 0.0 {0.712582 0.936827 0.0349078} H1205 7203 0.0 -1 1 {} H 0.0 {0.584306 0.80974 0.297199} H1206 7204 0.0 -1 1 {} H 0.0 {0.961267 0.0904873 0.250452} H1207 7205 0.0 -1 1 {} H 0.0 {0.449782 0.871434 0.191757} H1208 7206 0.0 -1 1 {} H 0.0 {0.254464 0.104124 0.639418} H1209 7207 0.0 -1 1 {} H 0.0 {0.109773 0.100755 0.182592} H1210 7208 0.0 -1 1 {} H 0.0 {0.450217 0.902632 0.585805} H1211 7209 0.0 -1 1 {} H 0.0 {0.575169 0.859479 0.398017} H1212 7210 0.0 -1 1 {} H 0.0 {0.33005 0.919544 0.855493} H1213 7211 0.0 -1 1 {} H 0.0 {0.268363 0.939368 0.0163477} H1214 7212 0.0 -1 1 {} H 0.0 {0.476687 0.845497 0.571419} H1215 7213 0.0 -1 1 {} H 0.0 {0.57711 0.853474 0.687781} H1216 7214 0.0 -1 8 {} O 0.0 {0.581479 0.802503 0.301294} O4199 7215 0.0 -1 8 {} O 0.0 {0.451445 0.88781 0.245894} O4200 7216 0.0 -1 8 {} O 0.0 {0.448225 0.896955 0.553276} O4201 7217 0.0 -1 8 {} O 0.0 {0.573493 0.865322 0.366143} O4202 7218 0.0 -1 1 {} H 0.0 {0.581221 0.865277 0.779918} H1217 7219 0.0 -1 1 {} H 0.0 {0.412712 0.159839 0.982157} H1218 7220 0.0 -1 1 {} H 0.0 {0.742519 0.94657 0.160678} H1219 7221 0.0 -1 1 {} H 0.0 {0.506285 0.916432 0.894905} H1220 7222 0.0 -1 1 {} H 0.0 {0.662464 0.874791 0.687963} H1221 7223 0.0 -1 1 {} H 0.0 {0.615576 0.853092 0.115176} H1222 7224 0.0 -1 1 {} H 0.0 {0.411234 0.886648 0.188496} H1223 7225 0.0 -1 1 {} H 0.0 {0.424715 0.895997 0.471382} H1224 7226 0.0 -1 8 {} O 0.0 {0.628133 0.882497 0.0837127} O4203 7227 0.0 -1 8 {} O 0.0 {0.452374 0.15192 0.690818} O4204 7228 0.0 -1 8 {} O 0.0 {0.506782 0.909157 0.924501} O4205 7229 0.0 -1 8 {} O 0.0 {0.524287 0.836278 0.923905} O4206 7230 0.0 -1 8 {} O 0.0 {0.589474 0.927737 0.130389} O4207 7231 0.0 -1 8 {} O 0.0 {0.619057 0.858126 0.103246} O4208 7232 0.0 -1 8 {} O 0.0 {0.408428 0.881169 0.170874} O4209 7233 0.0 -1 8 {} O 0.0 {0.42579 0.892466 0.427641} O4210 7234 0.0 -1 1 {} H 0.0 {0.21051 0.106075 0.665555} H1225 7235 0.0 -1 1 {} H 0.0 {0.42924 0.174593 0.343551} H1226 7236 0.0 -1 1 {} H 0.0 {0.468378 0.146592 0.589468} H1227 7237 0.0 -1 1 {} H 0.0 {0.628535 0.870865 0.0952511} H1228 7238 0.0 -1 8 {} O 0.0 {0.274379 0.94393 0.842049} O4211 7239 0.0 -1 8 {} O 0.0 {0.429774 0.901731 0.651135} O4212 7240 0.0 -1 1 {} H 0.0 {0.832736 0.105267 0.652722} H1229 7241 0.0 -1 1 {} H 0.0 {0.423223 0.169928 0.330787} H1230 7242 0.0 -1 1 {} H 0.0 {0.781881 0.0958572 0.537143} H1231 7243 0.0 -1 8 {} O 0.0 {0.470726 0.147959 0.554298} O4213 7244 0.0 -1 8 {} O 0.0 {0.426515 0.17301 0.310227} O4214 7245 0.0 -1 8 {} O 0.0 {0.767028 0.100542 0.669226} O4215 7246 0.0 -1 1 {} H 0.0 {0.387132 0.859808 0.361237} H1232 7247 0.0 -1 1 {} H 0.0 {0.376492 0.938752 0.499587} H1233 7248 0.0 -1 1 {} H 0.0 {0.43955 0.918429 0.517548} H1234 7249 0.0 -1 8 {} O 0.0 {0.377858 0.940872 0.543101} O4216 7250 0.0 -1 1 {} H 0.0 {0.537385 0.806668 0.847722} H1235 7251 0.0 -1 1 {} H 0.0 {0.429795 0.935818 0.695428} H1236 7252 0.0 -1 8 {} O 0.0 {0.437686 0.911392 0.544268} O4217 7253 0.0 -1 1 {} H 0.0 {0.698165 0.921967 0.867685} H1237 7254 0.0 -1 1 {} H 0.0 {0.396053 0.880136 0.844144} H1238 7255 0.0 -1 1 {} H 0.0 {0.558573 0.793486 0.302161} H1239 7256 0.0 -1 1 {} H 0.0 {0.520349 0.937558 0.833271} H1240 7257 0.0 -1 1 {} H 0.0 {0.349756 0.917058 0.893259} H1241 7258 0.0 -1 1 {} H 0.0 {0.724264 0.897853 0.997147} H1242 7259 0.0 -1 1 {} H 0.0 {0.489269 0.866912 0.374094} H1243 7260 0.0 -1 1 {} H 0.0 {0.260116 0.0990673 0.636985} H1244 7261 0.0 -1 1 {} H 0.0 {0.48712 0.825127 0.25827} H1245 7262 0.0 -1 1 {} H 0.0 {0.289837 0.129976 0.137457} H1246 7263 0.0 -1 1 {} H 0.0 {0.710004 0.921412 0.204483} H1247 7264 0.0 -1 8 {} O 0.0 {0.535161 0.799235 0.83631} O4218 7265 0.0 -1 8 {} O 0.0 {0.257975 0.105725 0.616116} O4219 7266 0.0 -1 8 {} O 0.0 {0.485671 0.834218 0.252583} O4220 7267 0.0 -1 1 {} H 0.0 {0.264719 0.924187 0.210316} H1248 7268 0.0 -1 1 {} H 0.0 {0.393318 0.868606 0.876267} H1249 7269 0.0 -1 1 {} H 0.0 {0.51445 0.911058 0.106075} H1250 7270 0.0 -1 1 {} H 0.0 {0.352579 0.915581 0.958024} H1251 7271 0.0 -1 1 {} H 0.0 {0.381717 0.857824 0.388307} H1252 7272 0.0 -1 1 {} H 0.0 {0.540899 0.881522 0.917868} H1253 7273 0.0 -1 8 {} O 0.0 {0.435926 0.900843 0.410402} O4221 7274 0.0 -1 8 {} O 0.0 {0.396449 0.870533 0.850176} O4222 7275 0.0 -1 8 {} O 0.0 {0.353136 0.91913 0.917113} O4223 7276 0.0 -1 8 {} O 0.0 {0.383785 0.855925 0.349374} O4224 7277 0.0 -1 8 {} O 0.0 {0.549076 0.799908 0.141042} O4225 7278 0.0 -1 1 {} H 0.0 {0.447695 0.874479 0.386785} H1254 7279 0.0 -1 1 {} H 0.0 {0.653183 0.890189 0.223706} H1255 7280 0.0 -1 1 {} H 0.0 {0.563913 0.915979 0.0824889} H1256 7281 0.0 -1 1 {} H 0.0 {0.478434 0.881681 0.407765} H1257 7282 0.0 -1 1 {} H 0.0 {0.251411 0.933988 0.3041} H1258 7283 0.0 -1 1 {} H 0.0 {0.377684 0.89373 0.858837} H1259 7284 0.0 -1 1 {} H 0.0 {0.482259 0.847598 0.601737} H1260 7285 0.0 -1 1 {} H 0.0 {0.277323 0.910641 0.451371} H1261 7286 0.0 -1 1 {} H 0.0 {0.497211 0.836628 0.241843} H1262 7287 0.0 -1 1 {} H 0.0 {0.345246 0.929184 0.431546} H1263 7288 0.0 -1 1 {} H 0.0 {0.408266 0.901082 0.4245} H1264 7289 0.0 -1 8 {} O 0.0 {0.407468 0.910491 0.492307} O4226 7290 0.0 -1 8 {} O 0.0 {0.28085 0.912232 0.43186} O4227 7291 0.0 -1 8 {} O 0.0 {0.511467 0.794111 0.633245} O4228 7292 0.0 -1 1 {} H 0.0 {0.619186 0.855355 0.0109686} H1265 7293 0.0 -1 1 {} H 0.0 {0.580324 0.885734 0.525411} H1266 7294 0.0 -1 1 {} H 0.0 {0.289153 0.911676 0.455831} H1267 7295 0.0 -1 1 {} H 0.0 {0.264623 0.947129 0.421912} H1268 7296 0.0 -1 1 {} H 0.0 {0.65017 0.914842 0.387257} H1269 7297 0.0 -1 1 {} H 0.0 {0.420878 0.883475 0.0768423} H1270 7298 0.0 -1 8 {} O 0.0 {0.714459 0.905544 0.0907484} O4229 7299 0.0 -1 8 {} O 0.0 {0.578023 0.879085 0.506639} O4230 7300 0.0 -1 8 {} O 0.0 {0.264391 0.941971 0.462261} O4231 7301 0.0 -1 8 {} O 0.0 {0.650926 0.906694 0.365593} O4232 7302 0.0 -1 8 {} O 0.0 {0.571419 0.835701 0.875691} O4233 7303 0.0 -1 1 {} H 0.0 {0.445315 0.881892 0.485055} H1271 7304 0.0 -1 1 {} H 0.0 {0.558376 0.790507 0.964568} H1272 7305 0.0 -1 1 {} H 0.0 {0.588453 0.857629 0.679458} H1273 7306 0.0 -1 1 {} H 0.0 {0.479776 0.844469 0.133429} H1274 7307 0.0 -1 1 {} H 0.0 {0.70467 0.958011 0.0489149} H1275 7308 0.0 -1 1 {} H 0.0 {0.556266 0.774579 0.362913} H1276 7309 0.0 -1 1 {} H 0.0 {0.340811 0.924332 0.477968} H1277 7310 0.0 -1 1 {} H 0.0 {0.545075 0.827559 0.68377} H1278 7311 0.0 -1 1 {} H 0.0 {0.51634 0.754353 0.651272} H1279 7312 0.0 -1 1 {} H 0.0 {0.60574 0.835185 0.571253} H1280 7313 0.0 -1 1 {} H 0.0 {0.429832 0.936252 0.513494} H1281 7314 0.0 -1 8 {} O 0.0 {0.292973 0.912291 0.456501} O4234 7315 0.0 -1 8 {} O 0.0 {0.540533 0.814358 0.179121} O4235 7316 0.0 -1 8 {} O 0.0 {0.518714 0.756468 0.684574} O4236 7317 0.0 -1 1 {} H 0.0 {0.333999 0.920479 0.220208} H1282 7318 0.0 -1 1 {} H 0.0 {0.557823 0.805036 0.940798} H1283 7319 0.0 -1 1 {} H 0.0 {0.426915 0.934974 0.451337} H1284 7320 0.0 -1 1 {} H 0.0 {0.522072 0.756954 0.66619} H1285 7321 0.0 -1 1 {} H 0.0 {0.808261 0.953496 0.388899} H1286 7322 0.0 -1 1 {} H 0.0 {0.605554 0.871902 0.862054} H1287 7323 0.0 -1 8 {} O 0.0 {0.343959 0.92151 0.455511} O4237 7324 0.0 -1 8 {} O 0.0 {0.555588 0.796945 0.9545} O4238 7325 0.0 -1 8 {} O 0.0 {0.762893 0.953502 0.841059} O4239 7326 0.0 -1 8 {} O 0.0 {0.603081 0.849472 0.750167} O4240 7327 0.0 -1 8 {} O 0.0 {0.607937 0.86673 0.891983} O4241 7328 0.0 -1 1 {} H 0.0 {0.395679 0.906869 0.666827} H1288 7329 0.0 -1 1 {} H 0.0 {0.582277 0.828716 0.52882} H1289 7330 0.0 -1 1 {} H 0.0 {0.637041 0.867201 0.884507} H1290 7331 0.0 -1 1 {} H 0.0 {0.630579 0.90454 0.316463} H1291 7332 0.0 -1 1 {} H 0.0 {0.318442 0.935973 0.171095} H1292 7333 0.0 -1 1 {} H 0.0 {0.377823 0.880679 0.888168} H1293 7334 0.0 -1 1 {} H 0.0 {0.621269 0.166261 0.258026} H1294 7335 0.0 -1 1 {} H 0.0 {0.431398 0.832826 0.00483217} H1295 7336 0.0 -1 1 {} H 0.0 {0.574492 0.834115 0.96952} H1296 7337 0.0 -1 1 {} H 0.0 {0.406959 0.863865 0.175036} H1297 7338 0.0 -1 1 {} H 0.0 {0.576366 0.85907 0.116049} H1298 7339 0.0 -1 8 {} O 0.0 {0.426843 0.931844 0.494688} O4242 7340 0.0 -1 8 {} O 0.0 {0.602778 0.81781 0.335427} O4243 7341 0.0 -1 8 {} O 0.0 {0.447041 0.848402 0.633083} O4244 7342 0.0 -1 1 {} H 0.0 {0.49965 0.131965 0.23868} H1299 7343 0.0 -1 1 {} H 0.0 {0.586988 0.830428 0.479452} H1300 7344 0.0 -1 1 {} H 0.0 {0.576213 0.848541 0.0635902} H1301 7345 0.0 -1 1 {} H 0.0 {0.309092 0.937605 0.00582106} H1302 7346 0.0 -1 1 {} H 0.0 {0.410982 0.911847 0.50904} H1303 7347 0.0 -1 1 {} H 0.0 {0.509909 0.855733 0.963638} H1304 7348 0.0 -1 8 {} O 0.0 {0.673948 0.169068 0.840536} O4245 7349 0.0 -1 8 {} O 0.0 {0.585251 0.824074 0.508301} O4246 7350 0.0 -1 8 {} O 0.0 {0.315574 0.938764 0.202071} O4247 7351 0.0 -1 8 {} O 0.0 {0.700838 0.922542 0.689861} O4248 7352 0.0 -1 8 {} O 0.0 {0.508024 0.849098 0.935084} O4249 7353 0.0 -1 1 {} H 0.0 {0.489018 0.892963 0.971819} H1305 7354 0.0 -1 1 {} H 0.0 {0.461118 0.894138 0.691802} H1306 7355 0.0 -1 1 {} H 0.0 {0.607477 0.862579 0.525704} H1307 7356 0.0 -1 1 {} H 0.0 {0.561787 0.9034 0.621003} H1308 7357 0.0 -1 1 {} H 0.0 {0.461605 0.912094 0.480108} H1309 7358 0.0 -1 1 {} H 0.0 {0.529206 0.889882 0.490026} H1310 7359 0.0 -1 1 {} H 0.0 {0.501575 0.814323 0.701416} H1311 7360 0.0 -1 1 {} H 0.0 {0.465917 0.933781 0.135289} H1312 7361 0.0 -1 1 {} H 0.0 {0.571538 0.87433 0.564355} H1313 7362 0.0 -1 1 {} H 0.0 {0.462646 0.84794 0.839408} H1314 7363 0.0 -1 1 {} H 0.0 {0.469994 0.864513 0.391258} H1315 7364 0.0 -1 8 {} O 0.0 {0.577448 0.857555 0.0718099} O4250 7365 0.0 -1 8 {} O 0.0 {0.4785 0.846546 0.611659} O4251 7366 0.0 -1 8 {} O 0.0 {0.413647 0.910676 0.929719} O4252 7367 0.0 -1 1 {} H 0.0 {0.381196 0.902505 0.98191} H1316 7368 0.0 -1 1 {} H 0.0 {0.439445 0.873649 0.738902} H1317 7369 0.0 -1 1 {} H 0.0 {0.467767 0.878276 0.366581} H1318 7370 0.0 -1 1 {} H 0.0 {0.466994 0.918216 0.454972} H1319 7371 0.0 -1 1 {} H 0.0 {0.495599 0.912584 0.619291} H1320 7372 0.0 -1 1 {} H 0.0 {0.594726 0.867845 0.605328} H1321 7373 0.0 -1 8 {} O 0.0 {0.503499 0.819911 0.673369} O4253 7374 0.0 -1 8 {} O 0.0 {0.440568 0.864136 0.733851} O4254 7375 0.0 -1 8 {} O 0.0 {0.464089 0.919472 0.486893} O4255 7376 0.0 -1 8 {} O 0.0 {0.493637 0.808392 0.556998} O4256 7377 0.0 -1 8 {} O 0.0 {0.59597 0.868042 0.40441} O4257 7378 0.0 -1 1 {} H 0.0 {0.40466 0.8725 0.636128} H1322 7379 0.0 -1 1 {} H 0.0 {0.544954 0.888473 0.446961} H1323 7380 0.0 -1 1 {} H 0.0 {0.528789 0.814856 0.244035} H1324 7381 0.0 -1 1 {} H 0.0 {0.586824 0.930602 0.163632} H1325 7382 0.0 -1 1 {} H 0.0 {0.526482 0.783975 0.609757} H1326 7383 0.0 -1 1 {} H 0.0 {0.444863 0.901857 0.541289} H1327 7384 0.0 -1 1 {} H 0.0 {0.449782 0.927118 0.140142} H1328 7385 0.0 -1 1 {} H 0.0 {0.603259 0.111716 0.471701} H1329 7386 0.0 -1 1 {} H 0.0 {0.663071 0.934849 0.712576} H1330 7387 0.0 -1 1 {} H 0.0 {0.427112 0.822162 0.844269} H1331 7388 0.0 -1 1 {} H 0.0 {0.715365 0.912325 0.0607561} H1332 7389 0.0 -1 8 {} O 0.0 {0.469636 0.874182 0.401983} O4258 7390 0.0 -1 8 {} O 0.0 {0.424555 0.81584 0.828194} O4259 7391 0.0 -1 8 {} O 0.0 {0.660662 0.929856 0.737354} O4260 7392 0.0 -1 1 {} H 0.0 {0.495859 0.903462 0.0542754} H1333 7393 0.0 -1 1 {} H 0.0 {0.659535 0.936209 0.774957} H1334 7394 0.0 -1 1 {} H 0.0 {0.278638 0.93553 0.0482826} H1335 7395 0.0 -1 1 {} H 0.0 {0.525375 0.797846 0.580746} H1336 7396 0.0 -1 1 {} H 0.0 {0.5307 0.901344 0.542701} H1337 7397 0.0 -1 1 {} H 0.0 {0.452959 0.865415 0.135453} H1338 7398 0.0 -1 8 {} O 0.0 {0.506464 0.791543 0.415224} O4261 7399 0.0 -1 8 {} O 0.0 {0.543382 0.886151 0.40622} O4262 7400 0.0 -1 8 {} O 0.0 {0.524487 0.792739 0.616683} O4263 7401 0.0 -1 8 {} O 0.0 {0.529057 0.899305 0.497541} O4264 7402 0.0 -1 8 {} O 0.0 {0.449246 0.866357 0.152392} O4265 7403 0.0 -1 1 {} H 0.0 {0.474645 0.83524 0.664699} H1339 7404 0.0 -1 1 {} H 0.0 {0.554776 0.822138 0.0380539} H1340 7405 0.0 -1 8 {} O 0.0 {0.551423 0.858765 0.483124} O4266 7406 0.0 -1 1 {} H 0.0 {0.163622 0.10855 0.0391974} H1341 7407 0.0 -1 1 {} H 0.0 {0.437762 0.867695 0.00945285} H1342 7408 0.0 -1 8 {} O 0.0 {0.555748 0.813903 0.05921} O4267 7409 0.0 -1 8 {} O 0.0 {0.437019 0.873878 0.974688} O4268 7410 0.0 -1 1 {} H 0.0 {0.485937 0.135909 0.0342394} H1343 7411 0.0 -1 1 {} H 0.0 {0.495631 0.157291 0.499539} H1344 7412 0.0 -1 1 {} H 0.0 {0.567886 0.141744 0.454351} H1345 7413 0.0 -1 1 {} H 0.0 {0.516061 0.147062 0.0964762} H1346 7414 0.0 -1 1 {} H 0.0 {0.548982 0.156289 0.10393} H1347 7415 0.0 -1 8 {} O 0.0 {0.550109 0.16069 0.15495} O4269 7416 0.0 -1 1 {} H 0.0 {0.444618 0.0800619 0.641833} H1348 7417 0.0 -1 1 {} H 0.0 {0.457517 0.133263 0.486866} H1349 7418 0.0 -1 1 {} H 0.0 {0.504623 0.0992262 0.820402} H1350 7419 0.0 -1 1 {} H 0.0 {0.469085 0.0995371 0.0744119} H1351 7420 0.0 -1 8 {} O 0.0 {0.467426 0.0925051 0.0470562} O4270 7421 0.0 -1 1 {} H 0.0 {0.429354 0.164754 0.852844} H1352 7422 0.0 -1 1 {} H 0.0 {0.363363 0.122323 0.071814} H1353 7423 0.0 -1 1 {} H 0.0 {0.475788 0.110655 0.448519} H1354 7424 0.0 -1 1 {} H 0.0 {0.481651 0.10972 0.438075} H1355 7425 0.0 -1 8 {} O 0.0 {0.479051 0.111272 0.472521} O4271 7426 0.0 -1 1 {} H 0.0 {0.401359 0.0905687 0.874115} H1356 7427 0.0 -1 1 {} H 0.0 {0.257582 0.131092 0.144344} H1357 7428 0.0 -1 1 {} H 0.0 {0.477275 0.113321 0.823362} H1358 7429 0.0 -1 1 {} H 0.0 {0.493148 0.113204 0.00580233} H1359 7430 0.0 -1 8 {} O 0.0 {0.451877 0.194915 0.126992} O4272 7431 0.0 -1 1 {} H 0.0 {0.511776 0.174117 0.167268} H1360 7432 0.0 -1 1 {} H 0.0 {0.387933 0.0891125 0.979122} H1361 7433 0.0 -1 1 {} H 0.0 {0.401214 0.110459 0.851279} H1362 7434 0.0 -1 1 {} H 0.0 {0.397247 0.11962 0.882108} H1363 7435 0.0 -1 8 {} O 0.0 {0.398736 0.117435 0.83982} O4273 7436 0.0 -1 1 {} H 0.0 {0.179016 0.115856 0.942833} H1364 7437 0.0 -1 1 {} H 0.0 {0.307789 0.119951 0.482495} H1365 7438 0.0 -1 1 {} H 0.0 {0.233882 0.103949 0.189611} H1366 7439 0.0 -1 1 {} H 0.0 {0.423805 0.113041 0.812891} H1367 7440 0.0 -1 8 {} O 0.0 {0.178723 0.115981 0.989382} O4274 7441 0.0 -1 1 {} H 0.0 {0.197695 0.107352 0.885407} H1368 7442 0.0 -1 8 {} O 0.0 {0.307641 0.0865524 0.0116244} O4275 7443 0.0 -1 1 {} H 0.0 {0.672925 0.147284 0.597108} H1369 7444 0.0 -1 1 {} H 0.0 {0.513658 0.114824 0.808216} H1370 7445 0.0 -1 1 {} H 0.0 {0.544716 0.178469 0.331155} H1371 7446 0.0 -1 1 {} H 0.0 {0.638032 0.145932 0.414689} H1372 7447 0.0 -1 8 {} O 0.0 {0.466099 0.195418 0.105018} O4276 7448 0.0 -1 8 {} O 0.0 {0.484916 0.144362 0.0538378} O4277 7449 0.0 -1 1 {} H 0.0 {0.647308 0.174994 0.415064} H1373 7450 0.0 -1 1 {} H 0.0 {0.468296 0.0923263 0.600611} H1374 7451 0.0 -1 1 {} H 0.0 {0.604388 0.183076 0.962307} H1375 7452 0.0 -1 1 {} H 0.0 {0.608085 0.178349 0.511649} H1376 7453 0.0 -1 1 {} H 0.0 {0.398601 0.166845 0.724055} H1377 7454 0.0 -1 1 {} H 0.0 {0.583964 0.209939 0.668524} H1378 7455 0.0 -1 1 {} H 0.0 {0.499493 0.168332 0.601552} H1379 7456 0.0 -1 1 {} H 0.0 {0.463881 0.168659 0.0994069} H1380 7457 0.0 -1 1 {} H 0.0 {0.646865 0.159549 0.407529} H1381 7458 0.0 -1 1 {} H 0.0 {0.614601 0.131412 0.489396} H1382 7459 0.0 -1 1 {} H 0.0 {0.466961 0.0266151 0.893455} H1383 7460 0.0 -1 8 {} O 0.0 {0.516128 0.121988 0.79665} O4278 7461 0.0 -1 8 {} O 0.0 {0.544585 0.903486 0.628733} O4279 7462 0.0 -1 8 {} O 0.0 {0.624249 0.219647 0.588298} O4280 7463 0.0 -1 1 {} H 0.0 {0.614537 0.0878849 0.995567} H1384 7464 0.0 -1 1 {} H 0.0 {0.562797 0.140869 0.971925} H1385 7465 0.0 -1 1 {} H 0.0 {0.363435 0.890521 0.793068} H1386 7466 0.0 -1 1 {} H 0.0 {0.546414 0.105698 0.63581} H1387 7467 0.0 -1 1 {} H 0.0 {0.466672 0.0318975 0.916524} H1388 7468 0.0 -1 1 {} H 0.0 {0.496387 0.0868602 0.671689} H1389 7469 0.0 -1 8 {} O 0.0 {0.617101 0.0928938 0.969808} O4281 7470 0.0 -1 8 {} O 0.0 {0.676793 0.926829 0.36228} O4282 7471 0.0 -1 8 {} O 0.0 {0.536303 0.157788 0.786735} O4283 7472 0.0 -1 8 {} O 0.0 {0.597395 0.141693 0.210062} O4284 7473 0.0 -1 8 {} O 0.0 {0.564209 0.14013 0.465175} O4285 7474 0.0 -1 1 {} H 0.0 {0.0715126 0.954823 0.0211628} H1390 7475 0.0 -1 1 {} H 0.0 {0.639466 0.173914 0.0471074} H1391 7476 0.0 -1 1 {} H 0.0 {0.60302 0.171838 0.0296323} H1392 7477 0.0 -1 1 {} H 0.0 {0.500369 0.14973 0.14625} H1393 7478 0.0 -1 1 {} H 0.0 {0.51831 0.100764 0.643835} H1394 7479 0.0 -1 1 {} H 0.0 {0.514389 0.805538 0.412818} H1395 7480 0.0 -1 1 {} H 0.0 {0.410837 0.0965224 0.866545} H1396 7481 0.0 -1 1 {} H 0.0 {0.471126 0.104917 0.163094} H1397 7482 0.0 -1 1 {} H 0.0 {0.564206 0.132794 0.49511} H1398 7483 0.0 -1 1 {} H 0.0 {0.545443 0.913002 0.637814} H1399 7484 0.0 -1 1 {} H 0.0 {0.391469 0.150913 0.446814} H1400 7485 0.0 -1 8 {} O 0.0 {0.377374 0.870012 0.115341} O4286 7486 0.0 -1 8 {} O 0.0 {0.382636 0.14171 0.316469} O4287 7487 0.0 -1 8 {} O 0.0 {0.553769 0.212585 0.396302} O4288 7488 0.0 -1 1 {} H 0.0 {0.554287 0.203231 0.385711} H1401 7489 0.0 -1 1 {} H 0.0 {0.466045 0.10273 0.738015} H1402 7490 0.0 -1 1 {} H 0.0 {0.492364 0.184571 0.964577} H1403 7491 0.0 -1 1 {} H 0.0 {0.516748 0.163969 0.164034} H1404 7492 0.0 -1 1 {} H 0.0 {0.542725 0.0951982 0.17233} H1405 7493 0.0 -1 1 {} H 0.0 {0.546856 0.177341 0.871602} H1406 7494 0.0 -1 8 {} O 0.0 {0.524837 0.12895 0.645677} O4289 7495 0.0 -1 8 {} O 0.0 {0.519755 0.0919137 0.633733} O4290 7496 0.0 -1 8 {} O 0.0 {0.515261 0.171983 0.187765} O4291 7497 0.0 -1 8 {} O 0.0 {0.470419 0.151462 0.375539} O4292 7498 0.0 -1 8 {} O 0.0 {0.0763602 0.950262 0.0653192} O4293 7499 0.0 -1 1 {} H 0.0 {0.298148 0.156927 0.636751} H1407 7500 0.0 -1 1 {} H 0.0 {0.497797 0.140436 0.786734} H1408 7501 0.0 -1 1 {} H 0.0 {0.4287 0.161152 0.167932} H1409 7502 0.0 -1 1 {} H 0.0 {0.288741 0.101175 0.26959} H1410 7503 0.0 -1 1 {} H 0.0 {0.478576 0.110077 0.655284} H1411 7504 0.0 -1 1 {} H 0.0 {0.342157 0.148628 0.387576} H1412 7505 0.0 -1 1 {} H 0.0 {0.384157 0.119081 0.581125} H1413 7506 0.0 -1 1 {} H 0.0 {0.483427 0.146573 0.403632} H1414 7507 0.0 -1 1 {} H 0.0 {0.466719 0.115358 0.137039} H1415 7508 0.0 -1 1 {} H 0.0 {0.531125 0.11308 0.84084} H1416 7509 0.0 -1 1 {} H 0.0 {0.301024 0.137697 0.879432} H1417 7510 0.0 -1 8 {} O 0.0 {0.495414 0.837613 0.200761} O4294 7511 0.0 -1 8 {} O 0.0 {0.501789 0.171911 0.633941} O4295 7512 0.0 -1 8 {} O 0.0 {0.340466 0.153053 0.351494} O4296 7513 0.0 -1 1 {} H 0.0 {0.51218 0.136997 0.954572} H1418 7514 0.0 -1 1 {} H 0.0 {0.338541 0.145562 0.332144} H1419 7515 0.0 -1 1 {} H 0.0 {0.566366 0.171506 0.500502} H1420 7516 0.0 -1 1 {} H 0.0 {0.433341 0.0959564 0.0206442} H1421 7517 0.0 -1 1 {} H 0.0 {0.264658 0.100945 0.336164} H1422 7518 0.0 -1 1 {} H 0.0 {0.555837 0.160721 0.990416} H1423 7519 0.0 -1 8 {} O 0.0 {0.506171 0.12246 0.590147} O4297 7520 0.0 -1 8 {} O 0.0 {0.404603 0.841694 0.0529589} O4298 7521 0.0 -1 8 {} O 0.0 {0.470268 0.111 0.127591} O4299 7522 0.0 -1 8 {} O 0.0 {0.436172 0.101396 0.999928} O4300 7523 0.0 -1 8 {} O 0.0 {0.376812 0.13146 0.713301} O4301 7524 0.0 -1 1 {} H 0.0 {0.251478 0.126498 0.142333} H1424 7525 0.0 -1 1 {} H 0.0 {0.196031 0.956234 0.994932} H1425 7526 0.0 -1 1 {} H 0.0 {0.212289 0.121266 0.799138} H1426 7527 0.0 -1 1 {} H 0.0 {0.348679 0.0944596 0.315797} H1427 7528 0.0 -1 1 {} H 0.0 {0.479361 0.200337 0.977568} H1428 7529 0.0 -1 1 {} H 0.0 {0.581842 0.127759 0.566874} H1429 7530 0.0 -1 1 {} H 0.0 {0.587635 0.126164 0.472138} H1430 7531 0.0 -1 1 {} H 0.0 {0.511359 0.794994 0.123257} H1431 7532 0.0 -1 1 {} H 0.0 {0.32254 0.131728 0.513275} H1432 7533 0.0 -1 1 {} H 0.0 {0.469943 0.0930136 0.529795} H1433 7534 0.0 -1 1 {} H 0.0 {0.43412 0.170613 0.44051} H1434 7535 0.0 -1 8 {} O 0.0 {0.301175 0.139547 0.924677} O4302 7536 0.0 -1 8 {} O 0.0 {0.41695 0.160153 0.908707} O4303 7537 0.0 -1 8 {} O 0.0 {0.476376 0.129115 0.649374} O4304 7538 0.0 -1 1 {} H 0.0 {0.611991 0.832063 0.915553} H1435 7539 0.0 -1 1 {} H 0.0 {0.479488 0.134713 0.65755} H1436 7540 0.0 -1 1 {} H 0.0 {0.336008 0.111075 0.715149} H1437 7541 0.0 -1 1 {} H 0.0 {0.448411 0.167304 0.0373172} H1438 7542 0.0 -1 1 {} H 0.0 {0.0911229 0.0936997 0.904776} H1439 7543 0.0 -1 1 {} H 0.0 {0.325453 0.122262 0.21853} H1440 7544 0.0 -1 8 {} O 0.0 {0.333644 0.114705 0.751895} O4305 7545 0.0 -1 8 {} O 0.0 {0.481834 0.205874 0.95273} O4306 7546 0.0 -1 8 {} O 0.0 {0.578973 0.125118 0.598451} O4307 7547 0.0 -1 8 {} O 0.0 {0.44912 0.162121 0.0747294} O4308 7548 0.0 -1 8 {} O 0.0 {0.254549 0.129626 0.116862} O4309 7549 0.0 -1 1 {} H 0.0 {0.295961 0.0989896 0.650002} H1441 7550 0.0 -1 1 {} H 0.0 {0.651462 0.918247 0.988634} H1442 7551 0.0 -1 1 {} H 0.0 {0.433828 0.118893 0.806824} H1443 7552 0.0 -1 1 {} H 0.0 {0.201422 0.13031 0.902273} H1444 7553 0.0 -1 1 {} H 0.0 {0.148175 0.0945931 0.250362} H1445 7554 0.0 -1 1 {} H 0.0 {0.507271 0.115571 0.561321} H1446 7555 0.0 -1 1 {} H 0.0 {0.643665 0.93632 0.4757} H1447 7556 0.0 -1 1 {} H 0.0 {0.344315 0.133473 0.199082} H1448 7557 0.0 -1 1 {} H 0.0 {0.584936 0.825946 0.853831} H1449 7558 0.0 -1 1 {} H 0.0 {0.337276 0.0539171 0.0449373} H1450 7559 0.0 -1 1 {} H 0.0 {0.311954 0.110524 0.678588} H1451 7560 0.0 -1 8 {} O 0.0 {0.529765 0.170235 0.941354} O4310 7561 0.0 -1 8 {} O 0.0 {0.452311 0.140124 0.817028} O4311 7562 0.0 -1 8 {} O 0.0 {0.0858541 0.0942595 0.951112} O4312 7563 0.0 -1 1 {} H 0.0 {0.456248 0.151334 0.682371} H1452 7564 0.0 -1 1 {} H 0.0 {0.0825545 0.0968494 0.893513} H1453 7565 0.0 -1 1 {} H 0.0 {0.532091 0.170204 0.978029} H1454 7566 0.0 -1 1 {} H 0.0 {0.442508 0.839331 0.405567} H1455 7567 0.0 -1 1 {} H 0.0 {0.498579 0.14772 0.97956} H1456 7568 0.0 -1 1 {} H 0.0 {0.318219 0.0287434 0.990691} H1457 7569 0.0 -1 8 {} O 0.0 {0.433842 0.154354 0.62433} O4313 7570 0.0 -1 8 {} O 0.0 {0.146683 0.10077 0.279943} O4314 7571 0.0 -1 8 {} O 0.0 {0.587853 0.821534 0.876504} O4315 7572 0.0 -1 8 {} O 0.0 {0.267284 0.0943544 0.020641} O4316 7573 0.0 -1 8 {} O 0.0 {0.297437 0.104018 0.683941} O4317 7574 0.0 -1 1 {} H 0.0 {0.168581 0.101354 0.60228} H1458 7575 0.0 -1 1 {} H 0.0 {0.147321 0.127489 0.762579} H1459 7576 0.0 -1 1 {} H 0.0 {0.411007 0.89995 0.35403} H1460 7577 0.0 -1 1 {} H 0.0 {0.817784 0.959027 0.32658} H1461 7578 0.0 -1 1 {} H 0.0 {0.618119 0.865329 0.427445} H1462 7579 0.0 -1 1 {} H 0.0 {0.460732 0.111988 0.412793} H1463 7580 0.0 -1 1 {} H 0.0 {0.440789 0.854857 0.801145} H1464 7581 0.0 -1 1 {} H 0.0 {0.155187 0.110339 0.373934} H1465 7582 0.0 -1 1 {} H 0.0 {0.216235 0.104657 0.603404} H1466 7583 0.0 -1 1 {} H 0.0 {0.101593 0.105505 0.534246} H1467 7584 0.0 -1 1 {} H 0.0 {0.0678294 0.0995242 0.158028} H1468 7585 0.0 -1 8 {} O 0.0 {0.313876 0.119222 0.683558} O4318 7586 0.0 -1 8 {} O 0.0 {0.469576 0.848463 0.36302} O4319 7587 0.0 -1 8 {} O 0.0 {0.227094 0.0980815 0.682981} O4320 7588 0.0 -1 1 {} H 0.0 {0.223072 0.104131 0.323365} H1469 7589 0.0 -1 1 {} H 0.0 {0.252594 0.125709 0.281461} H1470 7590 0.0 -1 1 {} H 0.0 {0.343899 0.932849 0.156553} H1471 7591 0.0 -1 1 {} H 0.0 {0.267036 0.125976 0.214039} H1472 7592 0.0 -1 1 {} H 0.0 {0.794208 0.959851 0.391612} H1473 7593 0.0 -1 1 {} H 0.0 {0.294213 0.0957217 0.192177} H1474 7594 0.0 -1 8 {} O 0.0 {0.288432 0.0911368 0.0148035} O4321 7595 0.0 -1 8 {} O 0.0 {0.479949 0.198363 0.642916} O4322 7596 0.0 -1 8 {} O 0.0 {0.105205 0.107927 0.572605} O4323 7597 0.0 -1 8 {} O 0.0 {0.500478 0.141068 0.0105777} O4324 7598 0.0 -1 8 {} O 0.0 {0.305805 0.127105 0.458696} O4325 7599 0.0 -1 1 {} H 0.0 {0.668568 0.0280416 0.204048} H1475 7600 0.0 -1 1 {} H 0.0 {0.24429 0.102966 0.667994} H1476 7601 0.0 -1 1 {} H 0.0 {0.258068 0.0901946 0.898881} H1477 7602 0.0 -1 8 {} O 0.0 {0.798601 0.961034 0.455724} O4326 7603 0.0 -1 8 {} O 0.0 {0.621025 0.858892 0.433928} O4327 7604 0.0 -1 1 {} H 0.0 {0.308453 0.131843 0.434234} H1478 7605 0.0 -1 1 {} H 0.0 {0.268788 0.117936 0.429882} H1479 7606 0.0 -1 8 {} O 0.0 {0.247976 0.0938412 0.317181} O4328 7607 0.0 -1 8 {} O 0.0 {0.125556 0.103061 0.0131854} O4329 7608 0.0 -1 1 {} H 0.0 {0.362254 0.917725 0.951111} H1480 7609 0.0 -1 1 {} H 0.0 {0.403549 0.865311 0.51144} H1481 7610 0.0 -1 1 {} H 0.0 {0.349224 0.934691 0.974757} H1482 7611 0.0 -1 1 {} H 0.0 {0.437675 0.226518 0.966531} H1483 7612 0.0 -1 8 {} O 0.0 {0.478138 0.839174 0.166579} O4330 7613 0.0 -1 8 {} O 0.0 {0.541499 0.825481 0.884731} O4331 7614 0.0 -1 1 {} H 0.0 {0.343265 0.901444 0.291744} H1484 7615 0.0 -1 1 {} H 0.0 {0.475745 0.845962 0.188603} H1485 7616 0.0 -1 1 {} H 0.0 {0.321736 0.936076 0.340995} H1486 7617 0.0 -1 1 {} H 0.0 {0.562834 0.849438 0.771048} H1487 7618 0.0 -1 1 {} H 0.0 {0.588241 0.907777 0.0957968} H1488 7619 0.0 -1 1 {} H 0.0 {0.409165 0.926619 0.1783} H1489 7620 0.0 -1 1 {} H 0.0 {0.378466 0.928731 0.0937023} H1490 7621 0.0 -1 1 {} H 0.0 {0.749259 0.941852 0.429999} H1491 7622 0.0 -1 1 {} H 0.0 {0.482428 0.834662 0.224177} H1492 7623 0.0 -1 1 {} H 0.0 {0.638801 0.914545 0.71998} H1493 7624 0.0 -1 1 {} H 0.0 {0.426451 0.862028 0.533774} H1494 7625 0.0 -1 8 {} O 0.0 {0.421079 0.867072 0.202737} O4332 7626 0.0 -1 8 {} O 0.0 {0.74915 0.939389 0.477829} O4333 7627 0.0 -1 8 {} O 0.0 {0.359209 0.888151 0.909873} O4334 7628 0.0 -1 1 {} H 0.0 {0.462477 0.197585 0.0984182} H1495 7629 0.0 -1 1 {} H 0.0 {0.387802 0.147291 0.26036} H1496 7630 0.0 -1 1 {} H 0.0 {0.505522 0.79816 0.382832} H1497 7631 0.0 -1 1 {} H 0.0 {0.36194 0.895172 0.91088} H1498 7632 0.0 -1 1 {} H 0.0 {0.524435 0.104495 0.49237} H1499 7633 0.0 -1 1 {} H 0.0 {0.410446 0.939369 0.48592} H1500 7634 0.0 -1 8 {} O 0.0 {0.565634 0.843391 0.749637} O4335 7635 0.0 -1 8 {} O 0.0 {0.534677 0.762094 0.479733} O4336 7636 0.0 -1 8 {} O 0.0 {0.236422 0.955573 0.477168} O4337 7637 0.0 -1 8 {} O 0.0 {0.589092 0.89795 0.0922754} O4338 7638 0.0 -1 8 {} O 0.0 {0.407048 0.936406 0.471482} O4339 7639 0.0 -1 1 {} H 0.0 {0.49652 0.0431393 0.374328} H1501 7640 0.0 -1 1 {} H 0.0 {0.240726 0.94145 0.338156} H1502 7641 0.0 -1 1 {} H 0.0 {0.495586 0.847125 0.929989} H1503 7642 0.0 -1 1 {} H 0.0 {0.596311 0.903312 0.68237} H1504 7643 0.0 -1 1 {} H 0.0 {0.442169 0.905304 0.80282} H1505 7644 0.0 -1 1 {} H 0.0 {0.722522 0.945132 0.8407} H1506 7645 0.0 -1 1 {} H 0.0 {0.586797 0.923922 0.485954} H1507 7646 0.0 -1 1 {} H 0.0 {0.568406 0.87994 0.149428} H1508 7647 0.0 -1 1 {} H 0.0 {0.511297 0.795357 0.680363} H1509 7648 0.0 -1 1 {} H 0.0 {0.353977 0.949811 0.466829} H1510 7649 0.0 -1 1 {} H 0.0 {0.626057 0.856487 0.739594} H1511 7650 0.0 -1 8 {} O 0.0 {0.536257 0.829702 0.665847} O4340 7651 0.0 -1 8 {} O 0.0 {0.354843 0.945017 0.506446} O4341 7652 0.0 -1 8 {} O 0.0 {0.574109 0.857502 0.230209} O4342 7653 0.0 -1 1 {} H 0.0 {0.384688 0.142698 0.358828} H1512 7654 0.0 -1 1 {} H 0.0 {0.404313 0.940452 0.499073} H1513 7655 0.0 -1 1 {} H 0.0 {0.494677 0.166395 0.300919} H1514 7656 0.0 -1 1 {} H 0.0 {0.404893 0.852559 0.262929} H1515 7657 0.0 -1 1 {} H 0.0 {0.521036 0.0883656 0.995613} H1516 7658 0.0 -1 1 {} H 0.0 {0.622239 0.849338 0.781829} H1517 7659 0.0 -1 8 {} O 0.0 {0.595514 0.894555 0.662958} O4343 7660 0.0 -1 8 {} O 0.0 {0.514734 0.117954 0.673431} O4344 7661 0.0 -1 8 {} O 0.0 {0.806154 0.946724 0.413149} O4345 7662 0.0 -1 8 {} O 0.0 {0.445856 0.903429 0.808897} O4346 7663 0.0 -1 8 {} O 0.0 {0.625517 0.847972 0.761006} O4347 7664 0.0 -1 1 {} H 0.0 {0.276545 0.118387 0.371117} H1518 7665 0.0 -1 1 {} H 0.0 {0.598344 0.836574 0.112759} H1519 7666 0.0 -1 1 {} H 0.0 {0.509317 0.932885 0.499125} H1520 7667 0.0 -1 1 {} H 0.0 {0.511934 0.875491 0.0474202} H1521 7668 0.0 -1 1 {} H 0.0 {0.569784 0.916677 0.0614823} H1522 7669 0.0 -1 1 {} H 0.0 {0.629721 0.880884 0.514693} H1523 7670 0.0 -1 1 {} H 0.0 {0.709845 0.916215 0.50133} H1524 7671 0.0 -1 1 {} H 0.0 {0.375996 0.856098 0.220151} H1525 7672 0.0 -1 1 {} H 0.0 {0.600634 0.815459 0.614899} H1526 7673 0.0 -1 1 {} H 0.0 {0.377878 0.853939 0.287613} H1527 7674 0.0 -1 1 {} H 0.0 {0.571881 0.891597 0.932111} H1528 7675 0.0 -1 8 {} O 0.0 {0.243177 0.125451 0.39696} O4348 7676 0.0 -1 8 {} O 0.0 {0.374805 0.8562 0.262787} O4349 7677 0.0 -1 8 {} O 0.0 {0.580585 0.928516 0.396372} O4350 7678 0.0 -1 1 {} H 0.0 {0.691161 0.89708 0.520805} H1529 7679 0.0 -1 1 {} H 0.0 {0.746579 0.930472 0.942493} H1530 7680 0.0 -1 1 {} H 0.0 {0.557135 0.773499 0.438633} H1531 7681 0.0 -1 1 {} H 0.0 {0.579369 0.935785 0.419802} H1532 7682 0.0 -1 1 {} H 0.0 {0.523059 0.829892 0.956637} H1533 7683 0.0 -1 1 {} H 0.0 {0.518762 0.8935 0.12276} H1534 7684 0.0 -1 8 {} O 0.0 {0.208351 0.126576 0.0745455} O4351 7685 0.0 -1 8 {} O 0.0 {0.518404 0.0942704 0.97389} O4352 7686 0.0 -1 8 {} O 0.0 {0.554515 0.772147 0.405915} O4353 7687 0.0 -1 8 {} O 0.0 {0.56692 0.910243 0.0698814} O4354 7688 0.0 -1 8 {} O 0.0 {0.518068 0.883758 0.112505} O4355 7689 0.0 -1 1 {} H 0.0 {0.348702 0.125739 0.299576} H1535 7690 0.0 -1 1 {} H 0.0 {0.488476 0.924245 0.93846} H1536 7691 0.0 -1 1 {} H 0.0 {0.500381 0.810368 0.164826} H1537 7692 0.0 -1 1 {} H 0.0 {0.419451 0.874011 0.882057} H1538 7693 0.0 -1 1 {} H 0.0 {0.632598 0.896741 0.191397} H1539 7694 0.0 -1 1 {} H 0.0 {0.470001 0.157147 0.539687} H1540 7695 0.0 -1 1 {} H 0.0 {0.478869 0.874549 0.809025} H1541 7696 0.0 -1 1 {} H 0.0 {0.650616 0.895166 0.84932} H1542 7697 0.0 -1 1 {} H 0.0 {0.565445 0.86245 0.860968} H1543 7698 0.0 -1 1 {} H 0.0 {0.423335 0.896863 0.3992} H1544 7699 0.0 -1 1 {} H 0.0 {0.534984 0.861666 0.416168} H1545 7700 0.0 -1 8 {} O 0.0 {0.568098 0.888776 0.923297} O4356 7701 0.0 -1 8 {} O 0.0 {0.621422 0.854541 0.971818} O4357 7702 0.0 -1 8 {} O 0.0 {0.418288 0.904082 0.33071} O4358 7703 0.0 -1 1 {} H 0.0 {0.416871 0.150698 0.899173} H1546 7704 0.0 -1 1 {} H 0.0 {0.657164 0.914023 0.994158} H1547 7705 0.0 -1 1 {} H 0.0 {0.555977 0.896774 0.221952} H1548 7706 0.0 -1 1 {} H 0.0 {0.384216 0.93607 0.0219439} H1549 7707 0.0 -1 1 {} H 0.0 {0.705027 0.922596 0.820504} H1550 7708 0.0 -1 1 {} H 0.0 {0.460521 0.134048 0.215245} H1551 7709 0.0 -1 8 {} O 0.0 {0.459947 0.114127 0.91828} O4359 7710 0.0 -1 8 {} O 0.0 {0.559934 0.902774 0.865711} O4360 7711 0.0 -1 8 {} O 0.0 {0.554199 0.903448 0.192785} O4361 7712 0.0 -1 8 {} O 0.0 {0.398027 0.842892 0.794803} O4362 7713 0.0 -1 8 {} O 0.0 {0.43482 0.1697 0.394291} O4363 7714 0.0 -1 1 {} H 0.0 {0.498952 0.147551 0.885145} H1552 7715 0.0 -1 1 {} H 0.0 {0.556583 0.911377 0.190582} H1553 7716 0.0 -1 1 {} H 0.0 {0.718964 0.916315 0.561774} H1554 7717 0.0 -1 1 {} H 0.0 {0.438385 0.894052 0.118087} H1555 7718 0.0 -1 1 {} H 0.0 {0.521658 0.871927 0.710408} H1556 7719 0.0 -1 1 {} H 0.0 {0.493225 0.817199 0.0249453} H1557 7720 0.0 -1 1 {} H 0.0 {0.571123 0.871399 0.203267} H1558 7721 0.0 -1 1 {} H 0.0 {0.51096 0.881459 0.40252} H1559 7722 0.0 -1 1 {} H 0.0 {0.415614 0.918606 0.925161} H1560 7723 0.0 -1 1 {} H 0.0 {0.507453 0.873352 0.00258279} H1561 7724 0.0 -1 1 {} H 0.0 {0.305227 0.915224 0.206598} H1562 7725 0.0 -1 8 {} O 0.0 {0.533614 0.86862 0.44251} O4364 7726 0.0 -1 8 {} O 0.0 {0.578453 0.895949 0.781659} O4365 7727 0.0 -1 8 {} O 0.0 {0.233494 0.94814 0.19632} O4366 7728 0.0 -1 1 {} H 0.0 {0.487454 0.168888 0.371898} H1563 7729 0.0 -1 1 {} H 0.0 {0.19673 0.957791 0.336866} H1564 7730 0.0 -1 1 {} H 0.0 {0.32639 0.894999 0.397148} H1565 7731 0.0 -1 1 {} H 0.0 {0.384439 0.0913674 0.877787} H1566 7732 0.0 -1 1 {} H 0.0 {0.468713 0.897518 0.813633} H1567 7733 0.0 -1 1 {} H 0.0 {0.427075 0.110044 0.246362} H1568 7734 0.0 -1 8 {} O 0.0 {0.545589 0.797391 0.578899} O4367 7735 0.0 -1 8 {} O 0.0 {0.740092 0.938361 0.715236} O4368 7736 0.0 -1 8 {} O 0.0 {0.653728 0.910028 0.99105} O4369 7737 0.0 -1 8 {} O 0.0 {0.488877 0.84524 0.712804} O4370 7738 0.0 -1 8 {} O 0.0 {0.143576 0.12941 0.766931} O4371 7739 0.0 -1 1 {} H 0.0 {0.301314 0.139853 0.733667} H1569 7740 0.0 -1 1 {} H 0.0 {0.670658 0.143192 0.722426} H1570 7741 0.0 -1 1 {} H 0.0 {0.591513 0.871083 0.328502} H1571 7742 0.0 -1 1 {} H 0.0 {0.54671 0.871997 0.349216} H1572 7743 0.0 -1 1 {} H 0.0 {0.548494 0.860711 0.391159} H1573 7744 0.0 -1 1 {} H 0.0 {0.346486 0.9322 0.0916382} H1574 7745 0.0 -1 1 {} H 0.0 {0.302663 0.901488 0.199235} H1575 7746 0.0 -1 1 {} H 0.0 {0.71902 0.942665 0.418984} H1576 7747 0.0 -1 1 {} H 0.0 {0.43775 0.842419 0.833657} H1577 7748 0.0 -1 1 {} H 0.0 {0.549679 0.829976 0.959979} H1578 7749 0.0 -1 1 {} H 0.0 {0.521834 0.857027 0.269178} H1579 7750 0.0 -1 8 {} O 0.0 {0.30458 0.906546 0.230537} O4372 7751 0.0 -1 8 {} O 0.0 {0.553062 0.83395 0.975416} O4373 7752 0.0 -1 8 {} O 0.0 {0.411735 0.835683 0.897633} O4374 7753 0.0 -1 1 {} H 0.0 {0.543824 0.882493 0.182004} H1580 7754 0.0 -1 1 {} H 0.0 {0.411389 0.841734 0.936914} H1581 7755 0.0 -1 1 {} H 0.0 {0.599436 0.852972 0.744045} H1582 7756 0.0 -1 1 {} H 0.0 {0.518362 0.912469 0.162923} H1583 7757 0.0 -1 1 {} H 0.0 {0.465517 0.919569 0.680589} H1584 7758 0.0 -1 1 {} H 0.0 {0.533822 0.800912 0.0457802} H1585 7759 0.0 -1 8 {} O 0.0 {0.460202 0.915395 0.955906} O4375 7760 0.0 -1 8 {} O 0.0 {0.499669 0.898558 0.241487} O4376 7761 0.0 -1 8 {} O 0.0 {0.319619 0.902148 0.969576} O4377 7762 0.0 -1 8 {} O 0.0 {0.547213 0.862381 0.348031} O4378 7763 0.0 -1 8 {} O 0.0 {0.600526 0.889484 0.19472} O4379 7764 0.0 -1 1 {} H 0.0 {0.447969 0.892029 0.241743} H1586 7765 0.0 -1 1 {} H 0.0 {0.505571 0.93016 0.444633} H1587 7766 0.0 -1 1 {} H 0.0 {0.600594 0.929203 0.686} H1588 7767 0.0 -1 8 {} O 0.0 {0.330806 0.916613 0.896416} O4380 7768 0.0 -1 8 {} O 0.0 {0.472588 0.831007 0.699} O4381 7769 0.0 -1 1 {} H 0.0 {0.620051 0.853135 0.471919} H1589 7770 0.0 -1 1 {} H 0.0 {0.180138 0.0929643 0.898316} H1590 7771 0.0 -1 8 {} O 0.0 {0.206777 0.105538 0.687071} O4382 7772 0.0 -1 1 {} H 0.0 {0.651156 0.897377 0.440329} H1591 7773 0.0 -1 8 {} O 0.0 {0.652619 0.894657 0.481956} O4383 7774 0.0 -1 1 {} H 0.0 {0.694787 0.929607 0.916985} H1592 7775 0.0 -1 1 {} H 0.0 {0.407731 0.931544 0.112862} H1593 7776 0.0 -1 8 {} O 0.0 {0.694553 0.925554 0.872683} O4384 7777 0.0 -1 8 {} O 0.0 {0.406204 0.928018 0.150117} O4385 7778 0.0 -1 1 {} H 0.0 {0.698806 0.898022 0.607924} H1594 7779 0.0 -1 1 {} H 0.0 {0.558339 0.890171 0.427325} H1595 7780 0.0 -1 8 {} O 0.0 {0.591185 0.854137 0.651963} O4386 7781 0.0 -1 8 {} O 0.0 {0.214966 0.953524 0.473853} O4387 7782 0.0 -1 1 {} H 0.0 {0.441773 0.884433 0.426675} H1596 7783 0.0 -1 1 {} H 0.0 {0.625264 0.870335 0.4868} H1597 7784 0.0 -1 8 {} O 0.0 {0.443267 0.877101 0.451035} O4388 7785 0.0 -1 8 {} O 0.0 {0.62704 0.874401 0.526345} O4389 7786 0.0 -1 1 {} H 0.0 {0.669767 0.901974 0.236655} H1598 7787 0.0 -1 1 {} H 0.0 {0.40656 0.0991162 0.607252} H1599 7788 0.0 -1 8 {} O 0.0 {0.668744 0.893036 0.241964} O4390 7789 0.0 -1 8 {} O 0.0 {0.405912 0.103344 0.565684} O4391 7790 0.0 -1 1 {} H 0.0 {0.536304 0.779305 0.488887} H1600 7791 0.0 -1 1 {} H 0.0 {0.296781 0.932397 0.00933489} H1601 7792 0.0 -1 8 {} O 0.0 {0.554762 0.88518 0.50973} O4392 7793 0.0 -1 8 {} O 0.0 {0.294032 0.929229 0.0399369} O4393 7794 0.0 -1 1 {} H 0.0 {0.421243 0.820942 0.815866} H1602 7795 0.0 -1 1 {} H 0.0 {0.185937 0.102236 0.312221} H1603 7796 0.0 -1 8 {} O 0.0 {0.514263 0.821068 0.641249} O4394 7797 0.0 -1 8 {} O 0.0 {0.248479 0.0964956 0.999409} O4395 7798 0.0 -1 1 {} H 0.0 {0.530912 0.930737 0.499867} H1604 7799 0.0 -1 8 {} O 0.0 {0.439782 0.898877 0.0400633} O4396 7800 0.0 -1 1 {} H 0.0 {0.74296 0.103981 0.183525} H1605 7801 0.0 -1 8 {} O 0.0 {0.697686 0.0954229 0.957821} O4397 7802 0.0 -1 1 {} H 0.0 {0.707947 0.117485 0.500983} H1606 7803 0.0 -1 1 {} H 0.0 {0.86972 0.110633 0.930242} H1607 7804 0.0 -1 8 {} O 0.0 {0.681576 0.151354 0.053651} O4398 7805 0.0 -1 8 {} O 0.0 {0.870311 0.0991364 0.348296} O4399 7806 0.0 -1 1 {} H 0.0 {0.7094 0.101034 0.692579} H1608 7807 0.0 -1 1 {} H 0.0 {0.708691 0.12122 0.360015} H1609 7808 0.0 -1 8 {} O 0.0 {0.628958 0.0799205 0.987619} O4400 7809 0.0 -1 8 {} O 0.0 {0.707941 0.130743 0.364754} O4401 7810 0.0 -1 1 {} H 0.0 {0.682416 0.147206 0.095674} H1610 7811 0.0 -1 1 {} H 0.0 {0.582522 0.0979536 0.857827} H1611 7812 0.0 -1 8 {} O 0.0 {0.489775 0.161646 0.547414} O4402 7813 0.0 -1 8 {} O 0.0 {0.576 0.206013 0.871604} O4403 7814 0.0 -1 1 {} H 0.0 {0.631494 0.097262 0.0354336} H1612 7815 0.0 -1 1 {} H 0.0 {0.733848 0.129729 0.468858} H1613 7816 0.0 -1 8 {} O 0.0 {0.747486 0.138324 0.594344} O4404 7817 0.0 -1 8 {} O 0.0 {0.624465 0.183746 0.444245} O4405 7818 0.0 -1 1 {} H 0.0 {0.551427 0.0829499 0.00947146} H1614 7819 0.0 -1 1 {} H 0.0 {0.602834 0.18693 0.124472} H1615 7820 0.0 -1 8 {} O 0.0 {0.548125 0.0779487 0.00619716} O4406 7821 0.0 -1 8 {} O 0.0 {0.562701 0.219317 0.481008} O4407 7822 0.0 -1 1 {} H 0.0 {0.532316 0.0735482 0.969502} H1616 7823 0.0 -1 1 {} H 0.0 {0.50093 0.146324 0.0544468} H1617 7824 0.0 -1 8 {} O 0.0 {0.530146 0.0789887 0.000856811} O4408 7825 0.0 -1 8 {} O 0.0 {0.527337 0.148387 0.854078} O4409 7826 0.0 -1 1 {} H 0.0 {0.507553 0.139673 0.900818} H1618 7827 0.0 -1 8 {} O 0.0 {0.569706 0.155601 0.710941} O4410 7828 0.0 -1 1 {} H 0.0 {0.866876 0.1081 0.869069} H1619 7829 0.0 -1 1 {} H 0.0 {0.920857 0.105728 0.317523} H1620 7830 0.0 -1 1 {} H 0.0 {0.65336 0.158624 0.909799} H1621 7831 0.0 -1 1 {} H 0.0 {0.729158 0.093566 0.296459} H1622 7832 0.0 -1 8 {} O 0.0 {0.867185 0.117678 0.510461} O4411 7833 0.0 -1 1 {} H 0.0 {0.822655 0.960291 0.0684675} H1623 7834 0.0 -1 1 {} H 0.0 {0.741847 0.104542 0.48808} H1624 7835 0.0 -1 8 {} O 0.0 {0.849336 0.102384 0.674992} O4412 7836 0.0 -1 8 {} O 0.0 {0.568227 0.155033 0.300247} O4413 7837 0.0 -1 1 {} H 0.0 {0.702386 0.1318 0.519058} H1625 7838 0.0 -1 1 {} H 0.0 {0.565158 0.149746 0.322119} H1626 7839 0.0 -1 1 {} H 0.0 {0.818391 0.108087 0.542407} H1627 7840 0.0 -1 1 {} H 0.0 {0.56711 0.164359 0.306492} H1628 7841 0.0 -1 1 {} H 0.0 {0.931587 0.0884354 0.301578} H1629 7842 0.0 -1 1 {} H 0.0 {0.769842 0.106897 0.664608} H1630 7843 0.0 -1 1 {} H 0.0 {0.699752 0.095167 0.996013} H1631 7844 0.0 -1 1 {} H 0.0 {0.683511 0.125536 0.365313} H1632 7845 0.0 -1 1 {} H 0.0 {0.792555 0.105993 0.990382} H1633 7846 0.0 -1 1 {} H 0.0 {0.682389 0.0805958 0.950708} H1634 7847 0.0 -1 1 {} H 0.0 {0.575873 0.15902 0.418553} H1635 7848 0.0 -1 8 {} O 0.0 {0.817578 0.963946 0.107393} O4414 7849 0.0 -1 8 {} O 0.0 {0.684543 0.0868291 0.980067} O4415 7850 0.0 -1 8 {} O 0.0 {0.765779 0.101778 0.994421} O4416 7851 0.0 -1 1 {} H 0.0 {0.69602 0.0867192 0.960066} H1636 7852 0.0 -1 1 {} H 0.0 {0.585144 0.194481 0.0919004} H1637 7853 0.0 -1 1 {} H 0.0 {0.630607 0.110572 0.513264} H1638 7854 0.0 -1 1 {} H 0.0 {0.870517 0.111838 0.507253} H1639 7855 0.0 -1 1 {} H 0.0 {0.621853 0.161435 0.030246} H1640 7856 0.0 -1 1 {} H 0.0 {0.961231 0.952316 0.0582086} H1641 7857 0.0 -1 8 {} O 0.0 {0.869136 0.0983067 0.689725} O4417 7858 0.0 -1 8 {} O 0.0 {0.830312 0.105507 0.690588} O4418 7859 0.0 -1 8 {} O 0.0 {0.629717 0.113054 0.556728} O4419 7860 0.0 -1 8 {} O 0.0 {0.318638 0.129499 0.082319} O4420 7861 0.0 -1 8 {} O 0.0 {0.699729 0.137386 0.544543} O4421 7862 0.0 -1 1 {} H 0.0 {0.660631 0.0983525 0.178012} H1642 7863 0.0 -1 1 {} H 0.0 {0.706956 0.132023 0.410914} H1643 7864 0.0 -1 1 {} H 0.0 {0.516195 0.784288 0.28092} H1644 7865 0.0 -1 1 {} H 0.0 {0.593101 0.147593 0.661671} H1645 7866 0.0 -1 1 {} H 0.0 {0.623875 0.165395 0.41957} H1646 7867 0.0 -1 1 {} H 0.0 {0.684917 0.138496 0.770547} H1647 7868 0.0 -1 1 {} H 0.0 {0.593845 0.189527 0.52382} H1648 7869 0.0 -1 1 {} H 0.0 {0.684046 0.157479 0.349822} H1649 7870 0.0 -1 1 {} H 0.0 {0.679581 0.147468 0.346134} H1650 7871 0.0 -1 1 {} H 0.0 {0.624013 0.193091 0.428934} H1651 7872 0.0 -1 1 {} H 0.0 {0.64051 0.0915114 0.195867} H1652 7873 0.0 -1 8 {} O 0.0 {0.640668 0.124007 0.319997} O4422 7874 0.0 -1 8 {} O 0.0 {0.692463 0.16244 0.335059} O4423 7875 0.0 -1 8 {} O 0.0 {0.680333 0.157333 0.346015} O4424 7876 0.0 -1 1 {} H 0.0 {0.708017 0.0972082 0.296302} H1653 7877 0.0 -1 1 {} H 0.0 {0.580275 0.0975763 0.388721} H1654 7878 0.0 -1 1 {} H 0.0 {0.77714 0.127419 0.914344} H1655 7879 0.0 -1 1 {} H 0.0 {0.572119 0.206759 0.261245} H1656 7880 0.0 -1 1 {} H 0.0 {0.631153 0.106068 0.581567} H1657 7881 0.0 -1 1 {} H 0.0 {0.57296 0.196934 0.0675302} H1658 7882 0.0 -1 8 {} O 0.0 {0.928758 0.093222 0.0115235} O4425 7883 0.0 -1 8 {} O 0.0 {0.698594 0.137571 0.745644} O4426 7884 0.0 -1 8 {} O 0.0 {0.683715 0.147251 0.777934} O4427 7885 0.0 -1 8 {} O 0.0 {0.499 0.129528 0.194516} O4428 7886 0.0 -1 8 {} O 0.0 {0.908229 0.0969845 0.329135} O4429 7887 0.0 -1 1 {} H 0.0 {0.528866 0.162757 0.371031} H1659 7888 0.0 -1 1 {} H 0.0 {0.56685 0.237819 0.0330097} H1660 7889 0.0 -1 1 {} H 0.0 {0.759339 0.108761 0.83623} H1661 7890 0.0 -1 1 {} H 0.0 {0.626375 0.0948152 0.841292} H1662 7891 0.0 -1 1 {} H 0.0 {0.470512 0.11552 0.0368607} H1663 7892 0.0 -1 1 {} H 0.0 {0.596475 0.872003 0.806679} H1664 7893 0.0 -1 1 {} H 0.0 {0.560055 0.188792 0.525207} H1665 7894 0.0 -1 1 {} H 0.0 {0.365965 0.905539 0.620029} H1666 7895 0.0 -1 1 {} H 0.0 {0.627059 0.118706 0.217181} H1667 7896 0.0 -1 1 {} H 0.0 {0.560389 0.18951 0.595596} H1668 7897 0.0 -1 1 {} H 0.0 {0.487949 0.153179 0.55623} H1669 7898 0.0 -1 8 {} O 0.0 {0.577076 0.102839 0.381073} O4430 7899 0.0 -1 8 {} O 0.0 {0.559511 0.194924 0.55869} O4431 7900 0.0 -1 8 {} O 0.0 {0.32977 0.893483 0.416605} O4432 7901 0.0 -1 1 {} H 0.0 {0.332752 0.893555 0.387162} H1670 7902 0.0 -1 1 {} H 0.0 {0.603547 0.204236 0.0041138} H1671 7903 0.0 -1 1 {} H 0.0 {0.456471 0.935046 0.102982} H1672 7904 0.0 -1 1 {} H 0.0 {0.648827 0.1333 0.106158} H1673 7905 0.0 -1 1 {} H 0.0 {0.412875 0.905366 0.731338} H1674 7906 0.0 -1 1 {} H 0.0 {0.561211 0.239027 0.0533101} H1675 7907 0.0 -1 8 {} O 0.0 {0.563421 0.235215 0.0193415} O4433 7908 0.0 -1 8 {} O 0.0 {0.663799 0.113664 0.181779} O4434 7909 0.0 -1 8 {} O 0.0 {0.505379 0.80319 0.519796} O4435 7910 0.0 -1 8 {} O 0.0 {0.607375 0.204498 0.657594} O4436 7911 0.0 -1 8 {} O 0.0 {0.659008 0.127175 0.673491} O4437 7912 0.0 -1 1 {} H 0.0 {0.462049 0.176968 0.256963} H1676 7913 0.0 -1 1 {} H 0.0 {0.478613 0.102017 0.881286} H1677 7914 0.0 -1 1 {} H 0.0 {0.615666 0.948133 0.141672} H1678 7915 0.0 -1 1 {} H 0.0 {0.690435 0.166179 0.667179} H1679 7916 0.0 -1 1 {} H 0.0 {0.632706 0.114006 0.377496} H1680 7917 0.0 -1 1 {} H 0.0 {0.632349 0.103306 0.424808} H1681 7918 0.0 -1 1 {} H 0.0 {0.55238 0.133234 0.837954} H1682 7919 0.0 -1 1 {} H 0.0 {0.567696 0.116818 0.793476} H1683 7920 0.0 -1 1 {} H 0.0 {0.603793 0.156262 0.65184} H1684 7921 0.0 -1 1 {} H 0.0 {0.478265 0.107114 0.290692} H1685 7922 0.0 -1 1 {} H 0.0 {0.66851 0.156197 0.242122} H1686 7923 0.0 -1 8 {} O 0.0 {0.494666 0.193629 0.838247} O4438 7924 0.0 -1 8 {} O 0.0 {0.475026 0.104037 0.265228} O4439 7925 0.0 -1 8 {} O 0.0 {0.580006 0.153558 0.775632} O4440 7926 0.0 -1 1 {} H 0.0 {0.589016 0.229748 0.0483354} H1687 7927 0.0 -1 1 {} H 0.0 {0.602603 0.166001 0.276637} H1688 7928 0.0 -1 1 {} H 0.0 {0.510298 0.151845 0.297528} H1689 7929 0.0 -1 1 {} H 0.0 {0.77774 0.114553 0.658066} H1690 7930 0.0 -1 1 {} H 0.0 {0.514898 0.18679 0.813056} H1691 7931 0.0 -1 1 {} H 0.0 {0.725557 0.139324 0.235043} H1692 7932 0.0 -1 8 {} O 0.0 {0.592554 0.228814 0.0630727} O4441 7933 0.0 -1 8 {} O 0.0 {0.337185 0.944766 0.164837} O4442 7934 0.0 -1 8 {} O 0.0 {0.512997 0.205938 0.689543} O4443 7935 0.0 -1 8 {} O 0.0 {0.774797 0.115278 0.630432} O4444 7936 0.0 -1 8 {} O 0.0 {0.605901 0.163274 0.676534} O4445 7937 0.0 -1 1 {} H 0.0 {0.632466 0.100775 0.10543} H1693 7938 0.0 -1 1 {} H 0.0 {0.597742 0.217738 0.934412} H1694 7939 0.0 -1 1 {} H 0.0 {0.319985 0.897796 0.312837} H1695 7940 0.0 -1 1 {} H 0.0 {0.581031 0.147433 0.812053} H1696 7941 0.0 -1 1 {} H 0.0 {0.712514 0.127595 0.507215} H1697 7942 0.0 -1 1 {} H 0.0 {0.678167 0.143092 0.527604} H1698 7943 0.0 -1 1 {} H 0.0 {0.393548 0.138492 0.931654} H1699 7944 0.0 -1 1 {} H 0.0 {0.547627 0.168112 0.585743} H1700 7945 0.0 -1 1 {} H 0.0 {0.579882 0.132749 0.921784} H1701 7946 0.0 -1 1 {} H 0.0 {0.398567 0.134913 0.976492} H1702 7947 0.0 -1 1 {} H 0.0 {0.594187 0.166249 0.716617} H1703 7948 0.0 -1 8 {} O 0.0 {0.601326 0.170206 0.314523} O4446 7949 0.0 -1 8 {} O 0.0 {0.395405 0.13086 0.954307} O4447 7950 0.0 -1 8 {} O 0.0 {0.605699 0.196073 0.00798221} O4448 7951 0.0 -1 1 {} H 0.0 {0.744636 0.136124 0.623219} H1704 7952 0.0 -1 1 {} H 0.0 {0.580895 0.173234 0.476904} H1705 7953 0.0 -1 1 {} H 0.0 {0.627506 0.156436 0.894295} H1706 7954 0.0 -1 1 {} H 0.0 {0.428393 0.847513 0.714198} H1707 7955 0.0 -1 1 {} H 0.0 {0.518836 0.924743 0.665154} H1708 7956 0.0 -1 1 {} H 0.0 {0.655996 0.1147 0.919652} H1709 7957 0.0 -1 8 {} O 0.0 {0.686765 0.167081 0.681782} O4449 7958 0.0 -1 8 {} O 0.0 {0.298211 0.932469 0.736471} O4450 7959 0.0 -1 8 {} O 0.0 {0.545914 0.154303 0.042126} O4451 7960 0.0 -1 8 {} O 0.0 {0.604069 0.813141 0.196861} O4452 7961 0.0 -1 8 {} O 0.0 {0.631202 0.112015 0.417638} O4453 7962 0.0 -1 1 {} H 0.0 {0.574182 0.096354 0.379386} H1710 7963 0.0 -1 1 {} H 0.0 {0.578895 0.181392 0.76955} H1711 7964 0.0 -1 1 {} H 0.0 {0.405071 0.885741 0.186872} H1712 7965 0.0 -1 1 {} H 0.0 {0.559798 0.140849 0.381882} H1713 7966 0.0 -1 1 {} H 0.0 {0.554211 0.200639 0.0993945} H1714 7967 0.0 -1 1 {} H 0.0 {0.401221 0.844875 0.769379} H1715 7968 0.0 -1 1 {} H 0.0 {0.560408 0.132923 0.870531} H1716 7969 0.0 -1 1 {} H 0.0 {0.483845 0.154036 0.903447} H1717 7970 0.0 -1 1 {} H 0.0 {0.603471 0.163794 0.0908885} H1718 7971 0.0 -1 1 {} H 0.0 {0.602702 0.223367 0.662174} H1719 7972 0.0 -1 1 {} H 0.0 {0.582242 0.20225 0.285299} H1720 7973 0.0 -1 8 {} O 0.0 {0.578826 0.205611 0.417726} O4454 7974 0.0 -1 8 {} O 0.0 {0.538344 0.190124 0.753095} O4455 7975 0.0 -1 8 {} O 0.0 {0.605275 0.131229 0.360522} O4456 7976 0.0 -1 1 {} H 0.0 {0.535675 0.183188 0.628748} H1721 7977 0.0 -1 1 {} H 0.0 {0.640749 0.188888 0.43937} H1722 7978 0.0 -1 1 {} H 0.0 {0.637318 0.12686 0.806666} H1723 7979 0.0 -1 1 {} H 0.0 {0.507802 0.137641 0.558254} H1724 7980 0.0 -1 1 {} H 0.0 {0.552146 0.868122 0.486078} H1725 7981 0.0 -1 1 {} H 0.0 {0.541336 0.128533 0.0110761} H1726 7982 0.0 -1 8 {} O 0.0 {0.577999 0.177802 0.81429} O4457 7983 0.0 -1 8 {} O 0.0 {0.629851 0.148965 0.885123} O4458 7984 0.0 -1 8 {} O 0.0 {0.649546 0.166684 0.402367} O4459 7985 0.0 -1 8 {} O 0.0 {0.366104 0.931804 0.133907} O4460 7986 0.0 -1 8 {} O 0.0 {0.708975 0.126614 0.487474} O4461 7987 0.0 -1 1 {} H 0.0 {0.592246 0.215437 0.315612} H1727 7988 0.0 -1 1 {} H 0.0 {0.257637 0.938918 0.040893} H1728 7989 0.0 -1 8 {} O 0.0 {0.568604 0.11505 0.747117} O4462 7990 0.0 -1 1 {} H 0.0 {0.526058 0.0991071 0.17964} H1729 7991 0.0 -1 1 {} H 0.0 {0.6424 0.166145 0.622722} H1730 7992 0.0 -1 8 {} O 0.0 {0.346576 0.897984 0.269342} O4463 7993 0.0 -1 8 {} O 0.0 {0.641874 0.143979 0.406649} O4464 7994 0.0 -1 1 {} H 0.0 {0.803127 0.108999 0.619413} H1731 7995 0.0 -1 1 {} H 0.0 {0.957714 0.949327 0.314649} H1732 7996 0.0 -1 1 {} H 0.0 {0.483661 0.889489 0.108685} H1733 7997 0.0 -1 8 {} O 0.0 {0.957069 0.952542 0.121869} O4465 7998 0.0 -1 1 {} H 0.0 {0.732351 0.115562 0.288156} H1734 7999 0.0 -1 1 {} H 0.0 {0.511395 0.940472 0.173777} H1735 8000 0.0 -1 8 {} O 0.0 {0.515244 0.940576 0.177739} O4466 8001 0.0 -1 8 {} O 0.0 {0.490034 0.850688 0.416641} O4467 8002 0.0 -1 1 {} H 0.0 {0.578859 0.830646 0.0230591} H1736 8003 0.0 -1 1 {} H 0.0 {0.482351 0.871028 0.183071} H1737 8004 0.0 -1 1 {} H 0.0 {0.621671 0.897029 0.34734} H1738 8005 0.0 -1 1 {} H 0.0 {0.664961 0.109095 0.869656} H1739 8006 0.0 -1 1 {} H 0.0 {0.531967 0.91625 0.608174} H1740 8007 0.0 -1 1 {} H 0.0 {0.711042 0.104618 0.0394309} H1741 8008 0.0 -1 1 {} H 0.0 {0.740012 0.103526 0.842751} H1742 8009 0.0 -1 1 {} H 0.0 {0.717741 0.940544 0.0550913} H1743 8010 0.0 -1 1 {} H 0.0 {0.753683 0.150139 0.112434} H1744 8011 0.0 -1 1 {} H 0.0 {0.46477 0.877661 0.542331} H1745 8012 0.0 -1 1 {} H 0.0 {0.732186 0.0952409 0.978613} H1746 8013 0.0 -1 8 {} O 0.0 {0.74934 0.100789 0.32839} O4468 8014 0.0 -1 8 {} O 0.0 {0.579003 0.932189 0.201768} O4469 8015 0.0 -1 8 {} O 0.0 {0.754554 0.146903 0.0702639} O4470 8016 0.0 -1 1 {} H 0.0 {0.629038 0.913359 0.759776} H1747 8017 0.0 -1 1 {} H 0.0 {0.938811 0.112647 0.92633} H1748 8018 0.0 -1 1 {} H 0.0 {0.52651 0.827798 0.105835} H1749 8019 0.0 -1 1 {} H 0.0 {0.33686 0.91457 0.619274} H1750 8020 0.0 -1 1 {} H 0.0 {0.527605 0.827027 0.341443} H1751 8021 0.0 -1 1 {} H 0.0 {0.640593 0.185729 0.362684} H1752 8022 0.0 -1 8 {} O 0.0 {0.628768 0.905258 0.733012} O4471 8023 0.0 -1 8 {} O 0.0 {0.545691 0.756367 0.46495} O4472 8024 0.0 -1 8 {} O 0.0 {0.595352 0.89212 0.46765} O4473 8025 0.0 -1 8 {} O 0.0 {0.0758613 0.951676 0.191739} O4474 8026 0.0 -1 8 {} O 0.0 {0.940002 0.114123 0.970545} O4475 8027 0.0 -1 1 {} H 0.0 {0.663195 0.882306 0.216908} H1753 8028 0.0 -1 1 {} H 0.0 {0.670509 0.130972 0.0379153} H1754 8029 0.0 -1 1 {} H 0.0 {0.477023 0.90605 0.545788} H1755 8030 0.0 -1 1 {} H 0.0 {0.68598 0.942423 0.136615} H1756 8031 0.0 -1 1 {} H 0.0 {0.640103 0.915918 0.986675} H1757 8032 0.0 -1 1 {} H 0.0 {0.518966 0.875482 0.483175} H1758 8033 0.0 -1 1 {} H 0.0 {0.692015 0.941649 0.127811} H1759 8034 0.0 -1 1 {} H 0.0 {0.573741 0.86005 0.274928} H1760 8035 0.0 -1 1 {} H 0.0 {0.873019 0.950659 0.671907} H1761 8036 0.0 -1 1 {} H 0.0 {0.837311 0.959068 0.656585} H1762 8037 0.0 -1 1 {} H 0.0 {0.375951 0.929954 0.0299553} H1763 8038 0.0 -1 8 {} O 0.0 {0.437084 0.889138 0.754101} O4476 8039 0.0 -1 8 {} O 0.0 {0.787046 0.117801 0.868693} O4477 8040 0.0 -1 8 {} O 0.0 {0.608957 0.855169 0.122452} O4478 8041 0.0 -1 1 {} H 0.0 {0.609948 0.86492 0.118856} H1764 8042 0.0 -1 1 {} H 0.0 {0.574195 0.928902 0.843036} H1765 8043 0.0 -1 1 {} H 0.0 {0.410371 0.913086 0.912581} H1766 8044 0.0 -1 1 {} H 0.0 {0.708225 0.940721 0.433683} H1767 8045 0.0 -1 1 {} H 0.0 {0.60628 0.892228 0.525844} H1768 8046 0.0 -1 1 {} H 0.0 {0.434453 0.889299 0.788169} H1769 8047 0.0 -1 8 {} O 0.0 {0.688812 0.937031 0.114986} O4479 8048 0.0 -1 8 {} O 0.0 {0.417292 0.924892 0.0489425} O4480 8049 0.0 -1 8 {} O 0.0 {0.519181 0.813301 0.974297} O4481 8050 0.0 -1 8 {} O 0.0 {0.532112 0.906995 0.615183} O4482 8051 0.0 -1 8 {} O 0.0 {0.379071 0.926731 0.0487081} O4483 8052 0.0 -1 1 {} H 0.0 {0.285831 0.931014 0.839929} H1770 8053 0.0 -1 1 {} H 0.0 {0.745738 0.112736 0.0231023} H1771 8054 0.0 -1 1 {} H 0.0 {0.412302 0.834157 0.757924} H1772 8055 0.0 -1 1 {} H 0.0 {0.533887 0.760914 0.434007} H1773 8056 0.0 -1 1 {} H 0.0 {0.563483 0.815803 0.0621538} H1774 8057 0.0 -1 1 {} H 0.0 {0.451108 0.916637 0.0362857} H1775 8058 0.0 -1 1 {} H 0.0 {0.398734 0.861262 0.414024} H1776 8059 0.0 -1 1 {} H 0.0 {0.728811 0.139762 0.506262} H1777 8060 0.0 -1 1 {} H 0.0 {0.269081 0.923565 0.440112} H1778 8061 0.0 -1 1 {} H 0.0 {0.61984 0.00388024 0.377161} H1779 8062 0.0 -1 1 {} H 0.0 {0.528433 0.84743 0.779479} H1780 8063 0.0 -1 8 {} O 0.0 {0.452296 0.871745 0.732106} O4484 8064 0.0 -1 8 {} O 0.0 {0.455402 0.93288 0.0606236} O4485 8065 0.0 -1 8 {} O 0.0 {0.26982 0.915287 0.459332} O4486 8066 0.0 -1 1 {} H 0.0 {0.495884 0.834406 0.114841} H1781 8067 0.0 -1 1 {} H 0.0 {0.301953 0.937467 0.358187} H1782 8068 0.0 -1 1 {} H 0.0 {0.76901 0.939926 0.595348} H1783 8069 0.0 -1 1 {} H 0.0 {0.522767 0.808635 0.754647} H1784 8070 0.0 -1 1 {} H 0.0 {0.573036 0.935216 0.690956} H1785 8071 0.0 -1 1 {} H 0.0 {0.488801 0.821533 0.802892} H1786 8072 0.0 -1 8 {} O 0.0 {0.396387 0.862395 0.375037} O4487 8073 0.0 -1 8 {} O 0.0 {0.605798 0.88285 0.512107} O4488 8074 0.0 -1 8 {} O 0.0 {0.415209 0.829527 0.781643} O4489 8075 0.0 -1 8 {} O 0.0 {0.639973 0.907232 0.964622} O4490 8076 0.0 -1 8 {} O 0.0 {0.425456 0.897675 0.122374} O4491 8077 0.0 -1 1 {} H 0.0 {0.461167 0.862281 0.128491} H1787 8078 0.0 -1 1 {} H 0.0 {0.640078 0.094038 0.673774} H1788 8079 0.0 -1 1 {} H 0.0 {0.40552 0.850956 0.140718} H1789 8080 0.0 -1 1 {} H 0.0 {0.797011 0.958357 0.678875} H1790 8081 0.0 -1 1 {} H 0.0 {0.633834 0.949512 0.469765} H1791 8082 0.0 -1 1 {} H 0.0 {0.486136 0.170896 0.66529} H1792 8083 0.0 -1 1 {} H 0.0 {0.64773 0.939169 0.385901} H1793 8084 0.0 -1 1 {} H 0.0 {0.636105 0.929656 0.0486577} H1794 8085 0.0 -1 1 {} H 0.0 {0.60675 0.845124 0.894809} H1795 8086 0.0 -1 1 {} H 0.0 {0.505659 0.797747 0.974766} H1796 8087 0.0 -1 1 {} H 0.0 {0.623962 0.0979413 0.222523} H1797 8088 0.0 -1 8 {} O 0.0 {0.254326 0.934896 0.057354} O4492 8089 0.0 -1 8 {} O 0.0 {0.616667 0.107855 0.332277} O4493 8090 0.0 -1 8 {} O 0.0 {0.254704 0.94593 0.852258} O4494 8091 0.0 -1 1 {} H 0.0 {0.245081 0.934746 0.624994} H1798 8092 0.0 -1 1 {} H 0.0 {0.496325 0.819886 0.195967} H1799 8093 0.0 -1 1 {} H 0.0 {0.459708 0.935891 0.507038} H1800 8094 0.0 -1 1 {} H 0.0 {0.357554 0.886216 0.320888} H1801 8095 0.0 -1 1 {} H 0.0 {0.466587 0.000788424 0.51811} H1802 8096 0.0 -1 1 {} H 0.0 {0.485572 0.831731 0.731862} H1803 8097 0.0 -1 8 {} O 0.0 {0.800812 0.956126 0.846987} O4495 8098 0.0 -1 8 {} O 0.0 {0.556415 0.932292 0.855553} O4496 8099 0.0 -1 8 {} O 0.0 {0.718172 0.937367 0.382016} O4497 8100 0.0 -1 8 {} O 0.0 {0.567179 0.816769 0.0804975} O4498 8101 0.0 -1 8 {} O 0.0 {0.626852 0.101307 0.247426} O4499 8102 0.0 -1 1 {} H 0.0 {0.446871 0.930578 0.45122} H1804 8103 0.0 -1 1 {} H 0.0 {0.305982 0.921756 0.439007} H1805 8104 0.0 -1 1 {} H 0.0 {0.364543 0.864733 0.350167} H1806 8105 0.0 -1 1 {} H 0.0 {0.639583 0.90786 0.861304} H1807 8106 0.0 -1 1 {} H 0.0 {0.406405 0.944387 0.39795} H1808 8107 0.0 -1 1 {} H 0.0 {0.38948 0.906462 0.448675} H1809 8108 0.0 -1 1 {} H 0.0 {0.486288 0.92679 0.131956} H1810 8109 0.0 -1 1 {} H 0.0 {0.572547 0.86573 0.801756} H1811 8110 0.0 -1 1 {} H 0.0 {0.468779 0.996828 0.503369} H1812 8111 0.0 -1 1 {} H 0.0 {0.434296 0.845068 0.320151} H1813 8112 0.0 -1 1 {} H 0.0 {0.60269 0.819927 0.16799} H1814 8113 0.0 -1 8 {} O 0.0 {0.356009 0.937851 0.201328} O4500 8114 0.0 -1 8 {} O 0.0 {0.485394 0.919632 0.162369} O4501 8115 0.0 -1 8 {} O 0.0 {0.574602 0.868604 0.764607} O4502 8116 0.0 -1 1 {} H 0.0 {0.766158 0.92543 0.276399} H1815 8117 0.0 -1 1 {} H 0.0 {0.769239 0.93693 0.269534} H1816 8118 0.0 -1 1 {} H 0.0 {0.387933 0.902026 0.834415} H1817 8119 0.0 -1 1 {} H 0.0 {0.423811 0.942046 0.357761} H1818 8120 0.0 -1 1 {} H 0.0 {0.542308 0.879027 0.114688} H1819 8121 0.0 -1 1 {} H 0.0 {0.448497 0.933345 0.51618} H1820 8122 0.0 -1 8 {} O 0.0 {0.643838 0.903385 0.578126} O4503 8123 0.0 -1 8 {} O 0.0 {0.31592 0.937471 0.512583} O4504 8124 0.0 -1 8 {} O 0.0 {0.418395 0.914023 0.520071} O4505 8125 0.0 -1 8 {} O 0.0 {0.445731 0.92878 0.495048} O4506 8126 0.0 -1 8 {} O 0.0 {0.511876 0.88296 0.876531} O4507 8127 0.0 -1 1 {} H 0.0 {0.352805 0.937131 0.17262} H1821 8128 0.0 -1 1 {} H 0.0 {0.595413 0.140076 0.248732} H1822 8129 0.0 -1 1 {} H 0.0 {0.452388 0.876769 0.805619} H1823 8130 0.0 -1 1 {} H 0.0 {0.644512 0.935841 0.18428} H1824 8131 0.0 -1 1 {} H 0.0 {0.607598 0.879726 0.775461} H1825 8132 0.0 -1 1 {} H 0.0 {0.495411 0.0941327 0.834124} H1826 8133 0.0 -1 1 {} H 0.0 {0.422856 0.90452 0.653689} H1827 8134 0.0 -1 1 {} H 0.0 {0.608244 0.891293 0.950533} H1828 8135 0.0 -1 1 {} H 0.0 {0.416865 0.896987 0.896185} H1829 8136 0.0 -1 1 {} H 0.0 {0.556362 0.0924165 0.946584} H1830 8137 0.0 -1 1 {} H 0.0 {0.675398 0.170973 0.798559} H1831 8138 0.0 -1 8 {} O 0.0 {0.255183 0.944853 0.181146} O4508 8139 0.0 -1 8 {} O 0.0 {0.391252 0.120121 0.727513} O4509 8140 0.0 -1 8 {} O 0.0 {0.609169 0.884577 0.982652} O4510 8141 0.0 -1 1 {} H 0.0 {0.484576 0.882521 0.877211} H1832 8142 0.0 -1 1 {} H 0.0 {0.688107 0.937177 0.420015} H1833 8143 0.0 -1 1 {} H 0.0 {0.408197 0.854084 0.724043} H1834 8144 0.0 -1 1 {} H 0.0 {0.449165 0.851244 0.185053} H1835 8145 0.0 -1 1 {} H 0.0 {0.356349 0.892596 0.932708} H1836 8146 0.0 -1 1 {} H 0.0 {0.253833 0.940143 0.0945105} H1837 8147 0.0 -1 8 {} O 0.0 {0.456304 0.938791 0.526602} O4511 8148 0.0 -1 8 {} O 0.0 {0.407597 0.844321 0.713691} O4512 8149 0.0 -1 8 {} O 0.0 {0.371945 0.886345 0.532449} O4513 8150 0.0 -1 8 {} O 0.0 {0.416626 0.877572 0.608901} O4514 8151 0.0 -1 8 {} O 0.0 {0.641226 0.125353 0.810158} O4515 8152 0.0 -1 1 {} H 0.0 {0.619766 0.912214 0.169356} H1838 8153 0.0 -1 1 {} H 0.0 {0.379087 0.902382 0.437852} H1839 8154 0.0 -1 1 {} H 0.0 {0.540638 0.904537 0.625977} H1840 8155 0.0 -1 8 {} O 0.0 {0.688056 0.933639 0.463174} O4516 8156 0.0 -1 1 {} H 0.0 {0.725319 0.922353 0.945327} H1841 8157 0.0 -1 1 {} H 0.0 {0.264926 0.936987 0.296247} H1842 8158 0.0 -1 8 {} O 0.0 {0.377712 0.904483 0.395051} O4517 8159 0.0 -1 8 {} O 0.0 {0.603947 0.874683 0.778419} O4518 8160 0.0 -1 1 {} H 0.0 {0.492312 0.806976 0.256017} H1843 8161 0.0 -1 8 {} O 0.0 {0.489203 0.808582 0.284205} O4519 8162 0.0 -1 1 {} H 0.0 {0.600464 0.895398 0.394231} H1844 8163 0.0 -1 1 {} H 0.0 {0.597737 0.899105 0.486337} H1845 8164 0.0 -1 1 {} H 0.0 {0.510066 0.796153 0.0338652} H1846 8165 0.0 -1 1 {} H 0.0 {0.381358 0.923285 0.604255} H1847 8166 0.0 -1 8 {} O 0.0 {0.509391 0.801005 0.990005} O4520 8167 0.0 -1 1 {} H 0.0 {0.533941 0.770024 0.625036} H1848 8168 0.0 -1 1 {} H 0.0 {0.521607 0.807709 0.949693} H1849 8169 0.0 -1 1 {} H 0.0 {0.674893 0.896005 0.975865} H1850 8170 0.0 -1 1 {} H 0.0 {0.500214 0.866525 0.424509} H1851 8171 0.0 -1 8 {} O 0.0 {0.674269 0.898677 0.0195911} O4521 8172 0.0 -1 1 {} H 0.0 {0.393254 0.901345 0.795637} H1852 8173 0.0 -1 1 {} H 0.0 {0.556312 0.867736 0.254378} H1853 8174 0.0 -1 1 {} H 0.0 {0.493393 0.828614 0.845658} H1854 8175 0.0 -1 1 {} H 0.0 {0.66383 0.858722 0.591261} H1855 8176 0.0 -1 8 {} O 0.0 {0.362719 0.921184 0.490879} O4522 8177 0.0 -1 1 {} H 0.0 {0.340637 0.916621 0.374136} H1856 8178 0.0 -1 1 {} H 0.0 {0.743339 0.941347 0.693555} H1857 8179 0.0 -1 1 {} H 0.0 {0.360891 0.873666 0.236253} H1858 8180 0.0 -1 1 {} H 0.0 {0.355683 0.868663 0.253677} H1859 8181 0.0 -1 8 {} O 0.0 {0.358745 0.871465 0.274949} O4523 8182 0.0 -1 1 {} H 0.0 {0.422004 0.829354 0.0414935} H1860 8183 0.0 -1 1 {} H 0.0 {0.418554 0.910491 0.566805} H1861 8184 0.0 -1 1 {} H 0.0 {0.751933 0.944529 0.502022} H1862 8185 0.0 -1 1 {} H 0.0 {0.509884 0.818976 0.179206} H1863 8186 0.0 -1 8 {} O 0.0 {0.351314 0.894808 0.00219746} O4524 8187 0.0 -1 1 {} H 0.0 {0.409902 0.85393 0.0103141} H1864 8188 0.0 -1 1 {} H 0.0 {0.405568 0.856422 0.588246} H1865 8189 0.0 -1 1 {} H 0.0 {0.461965 0.844981 0.563879} H1866 8190 0.0 -1 1 {} H 0.0 {0.425843 0.850173 0.408633} H1867 8191 0.0 -1 8 {} O 0.0 {0.391623 0.89825 0.835685} O4525 8192 0.0 -1 1 {} H 0.0 {0.529973 0.773793 0.361728} H1868 8193 0.0 -1 1 {} H 0.0 {0.928143 0.100259 0.978489} H1869 8194 0.0 -1 1 {} H 0.0 {0.865933 0.117903 0.554562} H1870 8195 0.0 -1 1 {} H 0.0 {0.82636 0.132711 0.0337286} H1871 8196 0.0 -1 1 {} H 0.0 {0.840032 0.106863 0.57711} H1872 8197 0.0 -1 8 {} O 0.0 {0.829621 0.103399 0.338047} O4526 8198 0.0 -1 8 {} O 0.0 {0.725964 0.0965311 0.669113} O4527 8199 0.0 -1 1 {} H 0.0 {0.857595 0.0924824 0.244923} H1873 8200 0.0 -1 1 {} H 0.0 {0.826286 0.109011 0.329061} H1874 8201 0.0 -1 1 {} H 0.0 {0.679119 0.159281 0.0664093} H1875 8202 0.0 -1 1 {} H 0.0 {0.840513 0.109355 0.934854} H1876 8203 0.0 -1 1 {} H 0.0 {0.64921 0.094929 0.356957} H1877 8204 0.0 -1 1 {} H 0.0 {0.645263 0.137807 0.542592} H1878 8205 0.0 -1 1 {} H 0.0 {0.570095 0.146246 0.166689} H1879 8206 0.0 -1 1 {} H 0.0 {0.84599 0.103147 0.647534} H1880 8207 0.0 -1 1 {} H 0.0 {0.696575 0.131659 0.149596} H1881 8208 0.0 -1 1 {} H 0.0 {0.673488 0.101787 0.284803} H1882 8209 0.0 -1 1 {} H 0.0 {0.638257 0.130552 0.297168} H1883 8210 0.0 -1 8 {} O 0.0 {0.825081 0.124544 0.0494014} O4528 8211 0.0 -1 8 {} O 0.0 {0.566751 0.152923 0.174902} O4529 8212 0.0 -1 8 {} O 0.0 {0.654861 0.0993297 0.961551} O4530 8213 0.0 -1 1 {} H 0.0 {0.657122 0.096001 0.997504} H1884 8214 0.0 -1 1 {} H 0.0 {0.772925 0.125402 0.00661868} H1885 8215 0.0 -1 1 {} H 0.0 {0.651078 0.141635 0.512222} H1886 8216 0.0 -1 1 {} H 0.0 {0.729335 0.126098 0.0636547} H1887 8217 0.0 -1 1 {} H 0.0 {0.836958 0.107262 0.00367162} H1888 8218 0.0 -1 1 {} H 0.0 {0.829008 0.109626 0.922733} H1889 8219 0.0 -1 8 {} O 0.0 {0.770704 0.123918 0.0466748} O4531 8220 0.0 -1 8 {} O 0.0 {0.663773 0.0926684 0.35782} O4532 8221 0.0 -1 8 {} O 0.0 {0.726068 0.124698 0.0357617} O4533 8222 0.0 -1 8 {} O 0.0 {0.840056 0.112874 0.979102} O4534 8223 0.0 -1 8 {} O 0.0 {0.688934 0.0909674 0.326441} O4535 8224 0.0 -1 1 {} H 0.0 {0.798629 0.114513 0.930626} H1890 8225 0.0 -1 1 {} H 0.0 {0.769166 0.133121 0.0554503} H1891 8226 0.0 -1 1 {} H 0.0 {0.631146 0.0749481 0.959939} H1892 8227 0.0 -1 1 {} H 0.0 {0.643173 0.0794085 0.975809} H1893 8228 0.0 -1 1 {} H 0.0 {0.759829 0.142393 0.27341} H1894 8229 0.0 -1 1 {} H 0.0 {0.483474 0.893606 0.0376576} H1895 8230 0.0 -1 1 {} H 0.0 {0.572801 0.150212 0.379775} H1896 8231 0.0 -1 1 {} H 0.0 {0.845356 0.105785 0.00391011} H1897 8232 0.0 -1 1 {} H 0.0 {0.575721 0.165984 0.271799} H1898 8233 0.0 -1 1 {} H 0.0 {0.628206 0.14497 0.416597} H1899 8234 0.0 -1 1 {} H 0.0 {0.93372 0.101505 0.848896} H1900 8235 0.0 -1 8 {} O 0.0 {0.57491 0.14975 0.417452} O4536 8236 0.0 -1 8 {} O 0.0 {0.798283 0.115586 0.977849} O4537 8237 0.0 -1 8 {} O 0.0 {0.631038 0.141228 0.440615} O4538 8238 0.0 -1 1 {} H 0.0 {0.630213 0.132162 0.452066} H1901 8239 0.0 -1 1 {} H 0.0 {0.592299 0.201013 0.683797} H1902 8240 0.0 -1 1 {} H 0.0 {0.581005 0.165424 0.235486} H1903 8241 0.0 -1 1 {} H 0.0 {0.690245 0.0863434 0.288311} H1904 8242 0.0 -1 1 {} H 0.0 {0.737559 0.151313 0.242577} H1905 8243 0.0 -1 1 {} H 0.0 {0.856314 0.0946715 0.915319} H1906 8244 0.0 -1 8 {} O 0.0 {0.595808 0.196331 0.673003} O4539 8245 0.0 -1 8 {} O 0.0 {0.57789 0.171304 0.243267} O4540 8246 0.0 -1 8 {} O 0.0 {0.574964 0.177571 0.944858} O4541 8247 0.0 -1 8 {} O 0.0 {0.64409 0.0852556 0.00899315} O4542 8248 0.0 -1 8 {} O 0.0 {0.647125 0.087371 0.337555} O4543 8249 0.0 -1 1 {} H 0.0 {0.556538 0.111543 0.384051} H1907 8250 0.0 -1 1 {} H 0.0 {0.590411 0.0941095 0.542624} H1908 8251 0.0 -1 1 {} H 0.0 {0.539455 0.151741 0.222253} H1909 8252 0.0 -1 1 {} H 0.0 {0.618231 0.0985947 0.127148} H1910 8253 0.0 -1 1 {} H 0.0 {0.593277 0.107919 0.671993} H1911 8254 0.0 -1 1 {} H 0.0 {0.678128 0.183444 0.578352} H1912 8255 0.0 -1 1 {} H 0.0 {0.763 0.150388 0.323772} H1913 8256 0.0 -1 1 {} H 0.0 {0.596263 0.0880451 0.931985} H1914 8257 0.0 -1 1 {} H 0.0 {0.547014 0.119774 0.195269} H1915 8258 0.0 -1 1 {} H 0.0 {0.613066 0.144391 0.905865} H1916 8259 0.0 -1 1 {} H 0.0 {0.592581 0.08546 0.992612} H1917 8260 0.0 -1 8 {} O 0.0 {0.762175 0.149933 0.279566} O4544 8261 0.0 -1 8 {} O 0.0 {0.595626 0.0902722 0.977532} O4545 8262 0.0 -1 8 {} O 0.0 {0.607246 0.0901302 0.355849} O4546 8263 0.0 -1 1 {} H 0.0 {0.606145 0.090061 0.3099} H1918 8264 0.0 -1 1 {} H 0.0 {0.555949 0.207413 0.00302} H1919 8265 0.0 -1 1 {} H 0.0 {0.596842 0.205389 0.166321} H1920 8266 0.0 -1 1 {} H 0.0 {0.749118 0.136437 0.206301} H1921 8267 0.0 -1 1 {} H 0.0 {0.672772 0.162506 0.607385} H1922 8268 0.0 -1 1 {} H 0.0 {0.627493 0.0909666 0.311407} H1923 8269 0.0 -1 8 {} O 0.0 {0.55877 0.210917 0.973015} O4547 8270 0.0 -1 8 {} O 0.0 {0.615868 0.12649 0.226878} O4548 8271 0.0 -1 8 {} O 0.0 {0.749345 0.14585 0.190516} O4549 8272 0.0 -1 8 {} O 0.0 {0.672214 0.154097 0.628868} O4550 8273 0.0 -1 8 {} O 0.0 {0.625334 0.0873664 0.348137} O4551 8274 0.0 -1 1 {} H 0.0 {0.607467 0.126218 0.0105958} H1924 8275 0.0 -1 1 {} H 0.0 {0.560039 0.218868 0.995181} H1925 8276 0.0 -1 1 {} H 0.0 {0.675887 0.11539 0.854033} H1926 8277 0.0 -1 1 {} H 0.0 {0.589677 0.0856466 0.219451} H1927 8278 0.0 -1 1 {} H 0.0 {0.625525 0.22318 0.548161} H1928 8279 0.0 -1 1 {} H 0.0 {0.608551 0.204821 0.701313} H1929 8280 0.0 -1 1 {} H 0.0 {0.562365 0.0936196 0.250432} H1930 8281 0.0 -1 1 {} H 0.0 {0.609269 0.120209 0.0915484} H1931 8282 0.0 -1 1 {} H 0.0 {0.755255 0.115883 0.322632} H1932 8283 0.0 -1 1 {} H 0.0 {0.663348 0.155272 0.197695} H1933 8284 0.0 -1 1 {} H 0.0 {0.479668 0.201416 0.545559} H1934 8285 0.0 -1 8 {} O 0.0 {0.61547 0.136622 0.919485} O4552 8286 0.0 -1 8 {} O 0.0 {0.600286 0.128125 0.879356} O4553 8287 0.0 -1 8 {} O 0.0 {0.587457 0.0884451 0.37236} O4554 8288 0.0 -1 1 {} H 0.0 {0.588367 0.0891127 0.327404} H1935 8289 0.0 -1 1 {} H 0.0 {0.601222 0.0875449 0.194546} H1936 8290 0.0 -1 1 {} H 0.0 {0.564806 0.160637 0.795819} H1937 8291 0.0 -1 1 {} H 0.0 {0.580602 0.115597 0.771326} H1938 8292 0.0 -1 1 {} H 0.0 {0.499558 0.160753 0.446826} H1939 8293 0.0 -1 1 {} H 0.0 {0.629701 0.146325 0.613537} H1940 8294 0.0 -1 8 {} O 0.0 {0.504839 0.132639 0.840042} O4555 8295 0.0 -1 8 {} O 0.0 {0.58702 0.0988067 0.554887} O4556 8296 0.0 -1 8 {} O 0.0 {0.579832 0.114921 0.724574} O4557 8297 0.0 -1 8 {} O 0.0 {0.587658 0.0912671 0.243589} O4558 8298 0.0 -1 8 {} O 0.0 {0.596582 0.112761 0.670557} O4559 8299 0.0 -1 1 {} H 0.0 {0.604502 0.122259 0.376714} H1941 8300 0.0 -1 1 {} H 0.0 {0.478933 0.127685 0.131696} H1942 8301 0.0 -1 1 {} H 0.0 {0.535903 0.107936 0.883165} H1943 8302 0.0 -1 1 {} H 0.0 {0.568691 0.188002 0.623906} H1944 8303 0.0 -1 1 {} H 0.0 {0.547481 0.0904749 0.280096} H1945 8304 0.0 -1 1 {} H 0.0 {0.429978 0.118981 0.49189} H1946 8305 0.0 -1 1 {} H 0.0 {0.580518 0.0797539 0.232838} H1947 8306 0.0 -1 1 {} H 0.0 {0.471833 0.194999 0.612215} H1948 8307 0.0 -1 1 {} H 0.0 {0.784122 0.953359 0.823838} H1949 8308 0.0 -1 1 {} H 0.0 {0.856953 0.108454 0.643372} H1950 8309 0.0 -1 1 {} H 0.0 {0.507477 0.137412 0.0660468} H1951 8310 0.0 -1 8 {} O 0.0 {0.664738 0.153372 0.241522} O4560 8311 0.0 -1 8 {} O 0.0 {0.468152 0.192607 0.599575} O4561 8312 0.0 -1 8 {} O 0.0 {0.680011 0.131028 0.36335} O4562 8313 0.0 -1 1 {} H 0.0 {0.633265 0.18152 0.149742} H1952 8314 0.0 -1 1 {} H 0.0 {0.484943 0.117786 0.336171} H1953 8315 0.0 -1 1 {} H 0.0 {0.795312 0.953785 0.00305196} H1954 8316 0.0 -1 1 {} H 0.0 {0.53452 0.168289 0.611296} H1955 8317 0.0 -1 1 {} H 0.0 {0.553643 0.154035 0.162897} H1956 8318 0.0 -1 1 {} H 0.0 {0.653915 0.158304 0.259624} H1957 8319 0.0 -1 8 {} O 0.0 {0.483185 0.109457 0.34887} O4563 8320 0.0 -1 8 {} O 0.0 {0.780706 0.952187 0.843366} O4564 8321 0.0 -1 8 {} O 0.0 {0.535673 0.122757 0.652269} O4565 8322 0.0 -1 8 {} O 0.0 {0.55717 0.141028 0.163809} O4566 8323 0.0 -1 8 {} O 0.0 {0.568849 0.0788129 0.335308} O4567 8324 0.0 -1 1 {} H 0.0 {0.538618 0.0921098 0.498678} H1958 8325 0.0 -1 1 {} H 0.0 {0.485989 0.103243 0.341298} H1959 8326 0.0 -1 1 {} H 0.0 {0.554528 0.112966 0.0510452} H1960 8327 0.0 -1 1 {} H 0.0 {0.515897 0.180063 0.38245} H1961 8328 0.0 -1 1 {} H 0.0 {0.5213 0.126558 0.19637} H1962 8329 0.0 -1 1 {} H 0.0 {0.598624 0.132529 0.197469} H1963 8330 0.0 -1 1 {} H 0.0 {0.542009 0.0759799 0.233644} H1964 8331 0.0 -1 1 {} H 0.0 {0.51213 0.134155 0.378547} H1965 8332 0.0 -1 1 {} H 0.0 {0.533973 0.0784974 0.302939} H1966 8333 0.0 -1 1 {} H 0.0 {0.476927 0.192921 0.423258} H1967 8334 0.0 -1 1 {} H 0.0 {0.499779 0.184061 0.911443} H1968 8335 0.0 -1 8 {} O 0.0 {0.530227 0.160501 0.546499} O4568 8336 0.0 -1 8 {} O 0.0 {0.559302 0.164265 0.520121} O4569 8337 0.0 -1 8 {} O 0.0 {0.542983 0.104734 0.158572} O4570 8338 0.0 -1 1 {} H 0.0 {0.487487 0.0940981 0.509904} H1969 8339 0.0 -1 1 {} H 0.0 {0.640781 0.171487 0.117874} H1970 8340 0.0 -1 1 {} H 0.0 {0.628236 0.181794 0.195339} H1971 8341 0.0 -1 1 {} H 0.0 {0.587764 0.174041 0.567596} H1972 8342 0.0 -1 1 {} H 0.0 {0.462533 0.17864 0.885134} H1973 8343 0.0 -1 1 {} H 0.0 {0.547668 0.0750231 0.310492} H1974 8344 0.0 -1 8 {} O 0.0 {0.593913 0.211218 0.175481} O4571 8345 0.0 -1 8 {} O 0.0 {0.530923 0.0814372 0.333109} O4572 8346 0.0 -1 8 {} O 0.0 {0.614573 0.152159 0.762995} O4573 8347 0.0 -1 8 {} O 0.0 {0.513469 0.174768 0.407622} O4574 8348 0.0 -1 8 {} O 0.0 {0.548052 0.0809838 0.26732} O4575 8349 0.0 -1 1 {} H 0.0 {0.506172 0.0994314 0.473638} H1975 8350 0.0 -1 1 {} H 0.0 {0.562656 0.168987 0.851404} H1976 8351 0.0 -1 1 {} H 0.0 {0.603553 0.150562 0.205207} H1977 8352 0.0 -1 1 {} H 0.0 {0.586319 0.209759 0.788703} H1978 8353 0.0 -1 8 {} O 0.0 {0.584961 0.204291 0.318513} O4576 8354 0.0 -1 8 {} O 0.0 {0.557364 0.117787 0.278837} O4577 8355 0.0 -1 1 {} H 0.0 {0.480074 0.186664 0.302421} H1979 8356 0.0 -1 1 {} H 0.0 {0.518699 0.0856876 0.232239} H1980 8357 0.0 -1 8 {} O 0.0 {0.481401 0.184379 0.261428} O4578 8358 0.0 -1 8 {} O 0.0 {0.56437 0.179291 0.66995} O4579 8359 0.0 -1 1 {} H 0.0 {0.790407 0.104379 0.639818} H1981 8360 0.0 -1 1 {} H 0.0 {0.846432 0.10394 0.321603} H1982 8361 0.0 -1 1 {} H 0.0 {0.875865 0.108968 0.680736} H1983 8362 0.0 -1 1 {} H 0.0 {0.69219 0.109055 0.158685} H1984 8363 0.0 -1 8 {} O 0.0 {0.849224 0.0961741 0.319299} O4580 8364 0.0 -1 1 {} H 0.0 {0.94562 0.101336 0.975512} H1985 8365 0.0 -1 1 {} H 0.0 {0.840889 0.112902 0.814531} H1986 8366 0.0 -1 1 {} H 0.0 {0.732066 0.0976627 0.230891} H1987 8367 0.0 -1 8 {} O 0.0 {0.788446 0.104461 0.994058} O4581 8368 0.0 -1 8 {} O 0.0 {0.787043 0.103389 0.661329} O4582 8369 0.0 -1 8 {} O 0.0 {0.729242 0.100734 0.260826} O4583 8370 0.0 -1 1 {} H 0.0 {0.689448 0.0954702 0.524307} H1988 8371 0.0 -1 1 {} H 0.0 {0.838996 0.0938638 0.60665} H1989 8372 0.0 -1 1 {} H 0.0 {0.810014 0.112457 0.911174} H1990 8373 0.0 -1 1 {} H 0.0 {0.681505 0.150918 0.62579} H1991 8374 0.0 -1 1 {} H 0.0 {0.612349 0.201355 0.353829} H1992 8375 0.0 -1 1 {} H 0.0 {0.76096 0.103242 0.511048} H1993 8376 0.0 -1 1 {} H 0.0 {0.649061 0.0956388 0.544217} H1994 8377 0.0 -1 1 {} H 0.0 {0.642292 0.105162 0.912509} H1995 8378 0.0 -1 1 {} H 0.0 {0.688033 0.115827 0.11233} H1996 8379 0.0 -1 1 {} H 0.0 {0.918354 0.108493 0.259} H1997 8380 0.0 -1 1 {} H 0.0 {0.801976 0.106699 0.859413} H1998 8381 0.0 -1 1 {} H 0.0 {0.722126 0.097996 0.488981} H1999 8382 0.0 -1 1 {} H 0.0 {0.673166 0.120661 0.233545} H2000 8383 0.0 -1 1 {} H 0.0 {0.607503 0.193689 0.375997} H2001 8384 0.0 -1 1 {} H 0.0 {0.866055 0.109683 0.0208085} H2002 8385 0.0 -1 1 {} H 0.0 {0.795955 0.122822 0.250262} H2003 8386 0.0 -1 8 {} O 0.0 {0.690322 0.117324 0.148865} O4584 8387 0.0 -1 8 {} O 0.0 {0.869376 0.104898 0.0318247} O4585 8388 0.0 -1 8 {} O 0.0 {0.322342 0.13109 0.0475508} O4586 8389 0.0 -1 8 {} O 0.0 {0.674788 0.123049 0.190088} O4587 8390 0.0 -1 1 {} H 0.0 {0.911963 0.0994542 0.321609} H2004 8391 0.0 -1 1 {} H 0.0 {0.771163 0.129339 0.919586} H2005 8392 0.0 -1 1 {} H 0.0 {0.697632 0.0933109 0.872071} H2006 8393 0.0 -1 1 {} H 0.0 {0.812943 0.0999916 0.646831} H2007 8394 0.0 -1 1 {} H 0.0 {0.750914 0.103589 0.649554} H2008 8395 0.0 -1 1 {} H 0.0 {0.822121 0.113577 0.130873} H2009 8396 0.0 -1 1 {} H 0.0 {0.821197 0.108692 0.856375} H2010 8397 0.0 -1 1 {} H 0.0 {0.677155 0.0937981 0.203676} H2011 8398 0.0 -1 8 {} O 0.0 {0.676408 0.129712 0.00441596} O4588 8399 0.0 -1 8 {} O 0.0 {0.774688 0.132471 0.938071} O4589 8400 0.0 -1 8 {} O 0.0 {0.676501 0.0961865 0.283821} O4590 8401 0.0 -1 8 {} O 0.0 {0.748503 0.0931756 0.980828} O4591 8402 0.0 -1 8 {} O 0.0 {0.799293 0.107036 0.618824} O4592 8403 0.0 -1 8 {} O 0.0 {0.609923 0.19478 0.338026} O4593 8404 0.0 -1 8 {} O 0.0 {0.879205 0.111655 0.662326} O4594 8405 0.0 -1 8 {} O 0.0 {0.647256 0.144471 0.515197} O4595 8406 0.0 -1 1 {} H 0.0 {0.64363 0.134222 0.0664983} H2012 8407 0.0 -1 1 {} H 0.0 {0.793185 0.106681 0.149802} H2013 8408 0.0 -1 1 {} H 0.0 {0.675124 0.0878768 0.303217} H2014 8409 0.0 -1 1 {} H 0.0 {0.72626 0.11631 0.0135259} H2015 8410 0.0 -1 1 {} H 0.0 {0.640561 0.120279 0.996377} H2016 8411 0.0 -1 1 {} H 0.0 {0.456373 0.209989 0.988624} H2017 8412 0.0 -1 1 {} H 0.0 {0.602655 0.122185 0.853736} H2018 8413 0.0 -1 1 {} H 0.0 {0.681675 0.136293 0.625999} H2019 8414 0.0 -1 1 {} H 0.0 {0.859192 0.112907 0.953477} H2020 8415 0.0 -1 1 {} H 0.0 {0.929613 0.0957673 0.584784} H2021 8416 0.0 -1 1 {} H 0.0 {0.707213 0.112274 0.202168} H2022 8417 0.0 -1 1 {} H 0.0 {0.688434 0.11609 0.802871} H2023 8418 0.0 -1 1 {} H 0.0 {0.682424 0.115077 0.797899} H2024 8419 0.0 -1 1 {} H 0.0 {0.657072 0.121807 0.854762} H2025 8420 0.0 -1 1 {} H 0.0 {0.939441 0.101662 0.52889} H2026 8421 0.0 -1 1 {} H 0.0 {0.662395 0.121754 0.663361} H2027 8422 0.0 -1 8 {} O 0.0 {0.795477 0.119931 0.291553} O4596 8423 0.0 -1 8 {} O 0.0 {0.927638 0.0986695 0.625083} O4597 8424 0.0 -1 8 {} O 0.0 {0.686337 0.0991182 0.548082} O4598 8425 0.0 -1 8 {} O 0.0 {0.685424 0.118096 0.773475} O4599 8426 0.0 -1 1 {} H 0.0 {0.641964 0.122906 0.856817} H2028 8427 0.0 -1 1 {} H 0.0 {0.797316 0.105778 0.543497} H2029 8428 0.0 -1 1 {} H 0.0 {0.653386 0.163956 0.760407} H2030 8429 0.0 -1 1 {} H 0.0 {0.498086 0.09419 0.288512} H2031 8430 0.0 -1 1 {} H 0.0 {0.875816 0.10398 0.852606} H2032 8431 0.0 -1 1 {} H 0.0 {0.586537 0.216467 0.561525} H2033 8432 0.0 -1 1 {} H 0.0 {0.664314 0.0943194 0.857054} H2034 8433 0.0 -1 1 {} H 0.0 {0.720028 0.123831 0.0571556} H2035 8434 0.0 -1 8 {} O 0.0 {0.581208 0.112207 0.172631} O4600 8435 0.0 -1 8 {} O 0.0 {0.809334 0.100315 0.669853} O4601 8436 0.0 -1 8 {} O 0.0 {0.948399 0.0964916 0.000832573} O4602 8437 0.0 -1 8 {} O 0.0 {0.626203 0.127064 0.19207} O4603 8438 0.0 -1 8 {} O 0.0 {0.744824 0.136871 0.357759} O4604 8439 0.0 -1 8 {} O 0.0 {0.601273 0.113541 0.432888} O4605 8440 0.0 -1 8 {} O 0.0 {0.71657 0.117823 0.0709229} O4606 8441 0.0 -1 8 {} O 0.0 {0.484883 0.896215 0.0787145} O4607 8442 0.0 -1 1 {} H 0.0 {0.597945 0.210187 0.83951} H2036 8443 0.0 -1 1 {} H 0.0 {0.629043 0.150133 0.542893} H2037 8444 0.0 -1 1 {} H 0.0 {0.96786 0.0963321 0.833404} H2038 8445 0.0 -1 1 {} H 0.0 {0.662911 0.873138 0.574629} H2039 8446 0.0 -1 1 {} H 0.0 {0.746585 0.151106 0.21531} H2040 8447 0.0 -1 1 {} H 0.0 {0.744695 0.121127 0.081117} H2041 8448 0.0 -1 1 {} H 0.0 {0.617185 0.14131 0.44263} H2042 8449 0.0 -1 1 {} H 0.0 {0.735052 0.946186 0.680108} H2043 8450 0.0 -1 1 {} H 0.0 {0.759884 0.125398 0.338395} H2044 8451 0.0 -1 1 {} H 0.0 {0.620544 0.098042 0.686459} H2045 8452 0.0 -1 1 {} H 0.0 {0.566854 0.0927439 0.591991} H2046 8453 0.0 -1 1 {} H 0.0 {0.75222 0.107641 0.17422} H2047 8454 0.0 -1 1 {} H 0.0 {0.596611 0.189484 0.41674} H2048 8455 0.0 -1 1 {} H 0.0 {0.56622 0.0881523 0.521197} H2049 8456 0.0 -1 1 {} H 0.0 {0.538485 0.186625 0.799926} H2050 8457 0.0 -1 1 {} H 0.0 {0.665147 0.145892 0.0506144} H2051 8458 0.0 -1 8 {} O 0.0 {0.714487 0.114699 0.692815} O4608 8459 0.0 -1 8 {} O 0.0 {0.617456 0.102957 0.681797} O4609 8460 0.0 -1 8 {} O 0.0 {0.568131 0.0946647 0.548178} O4610 8461 0.0 -1 8 {} O 0.0 {0.59168 0.188083 0.562202} O4611 8462 0.0 -1 1 {} H 0.0 {0.512413 0.164769 0.252696} H2052 8463 0.0 -1 1 {} H 0.0 {0.594427 0.2139 0.219173} H2053 8464 0.0 -1 1 {} H 0.0 {0.765577 0.16218 0.213672} H2054 8465 0.0 -1 1 {} H 0.0 {0.583353 0.153497 0.752704} H2055 8466 0.0 -1 1 {} H 0.0 {0.730414 0.101354 0.522135} H2056 8467 0.0 -1 1 {} H 0.0 {0.718138 0.111454 0.699457} H2057 8468 0.0 -1 1 {} H 0.0 {0.59781 0.128465 0.639163} H2058 8469 0.0 -1 1 {} H 0.0 {0.680515 0.174406 0.632801} H2059 8470 0.0 -1 8 {} O 0.0 {0.510024 0.161657 0.289325} O4612 8471 0.0 -1 8 {} O 0.0 {0.646722 0.139049 0.0788694} O4613 8472 0.0 -1 8 {} O 0.0 {0.766996 0.164359 0.17147} O4614 8473 0.0 -1 8 {} O 0.0 {0.644111 0.1133 0.921565} O4615 8474 0.0 -1 8 {} O 0.0 {0.860626 0.109819 0.626528} O4616 8475 0.0 -1 8 {} O 0.0 {0.745824 0.121948 0.0371845} O4617 8476 0.0 -1 8 {} O 0.0 {0.598133 0.192719 0.456605} O4618 8477 0.0 -1 8 {} O 0.0 {0.677191 0.177889 0.614514} O4619 8478 0.0 -1 1 {} H 0.0 {0.677053 0.121707 0.922631} H2060 8479 0.0 -1 1 {} H 0.0 {0.5739 0.198551 0.134882} H2061 8480 0.0 -1 1 {} H 0.0 {0.453491 0.900229 0.496441} H2062 8481 0.0 -1 1 {} H 0.0 {0.513644 0.197705 0.715212} H2063 8482 0.0 -1 1 {} H 0.0 {0.575999 0.112971 0.724314} H2064 8483 0.0 -1 1 {} H 0.0 {0.598367 0.234769 0.563774} H2065 8484 0.0 -1 1 {} H 0.0 {0.768169 0.115544 0.562814} H2066 8485 0.0 -1 1 {} H 0.0 {0.731696 0.942803 0.151413} H2067 8486 0.0 -1 1 {} H 0.0 {0.736462 0.106989 0.590549} H2068 8487 0.0 -1 1 {} H 0.0 {0.599088 0.105305 0.667143} H2069 8488 0.0 -1 1 {} H 0.0 {0.589177 0.185823 0.355536} H2070 8489 0.0 -1 1 {} H 0.0 {0.660572 0.153667 0.0133304} H2071 8490 0.0 -1 1 {} H 0.0 {0.495419 0.800068 0.751881} H2072 8491 0.0 -1 1 {} H 0.0 {0.717668 0.111188 0.102448} H2073 8492 0.0 -1 1 {} H 0.0 {0.51495 0.0869257 0.318577} H2074 8493 0.0 -1 1 {} H 0.0 {0.720588 0.134278 0.537537} H2075 8494 0.0 -1 8 {} O 0.0 {0.736156 0.110145 0.635331} O4620 8495 0.0 -1 8 {} O 0.0 {0.457018 0.142797 0.482206} O4621 8496 0.0 -1 8 {} O 0.0 {0.590822 0.178367 0.380566} O4622 8497 0.0 -1 8 {} O 0.0 {0.498388 0.803881 0.777221} O4623 8498 0.0 -1 1 {} H 0.0 {0.40648 0.130985 0.72059} H2076 8499 0.0 -1 1 {} H 0.0 {0.642023 0.128614 0.356989} H2077 8500 0.0 -1 1 {} H 0.0 {0.511963 0.0968865 0.481074} H2078 8501 0.0 -1 1 {} H 0.0 {0.495279 0.885339 0.678287} H2079 8502 0.0 -1 1 {} H 0.0 {0.743385 0.140828 0.516966} H2080 8503 0.0 -1 1 {} H 0.0 {0.818424 0.114462 0.944851} H2081 8504 0.0 -1 1 {} H 0.0 {0.629808 0.132065 0.839002} H2082 8505 0.0 -1 1 {} H 0.0 {0.507633 0.125584 0.839411} H2083 8506 0.0 -1 8 {} O 0.0 {0.476364 0.189091 0.379695} O4624 8507 0.0 -1 8 {} O 0.0 {0.42297 0.183551 0.189098} O4625 8508 0.0 -1 8 {} O 0.0 {0.659138 0.941361 0.869077} O4626 8509 0.0 -1 8 {} O 0.0 {0.343892 0.920686 0.81425} O4627 8510 0.0 -1 8 {} O 0.0 {0.740796 0.140711 0.480601} O4628 8511 0.0 -1 8 {} O 0.0 {0.637925 0.152182 0.976004} O4629 8512 0.0 -1 8 {} O 0.0 {0.551019 0.202901 0.268468} O4630 8513 0.0 -1 8 {} O 0.0 {0.756222 0.125077 0.315758} O4631 8514 0.0 -1 1 {} H 0.0 {0.575063 0.138551 0.0931023} H2084 8515 0.0 -1 1 {} H 0.0 {0.526131 0.936934 0.733554} H2085 8516 0.0 -1 1 {} H 0.0 {0.672713 0.947993 0.716128} H2086 8517 0.0 -1 1 {} H 0.0 {0.549287 0.150185 0.0195849} H2087 8518 0.0 -1 1 {} H 0.0 {0.819063 0.122072 0.0118501} H2088 8519 0.0 -1 1 {} H 0.0 {0.512416 0.127115 0.306623} H2089 8520 0.0 -1 1 {} H 0.0 {0.613099 0.152541 0.804425} H2090 8521 0.0 -1 1 {} H 0.0 {0.326033 0.900908 0.294478} H2091 8522 0.0 -1 1 {} H 0.0 {0.721221 0.120513 0.560966} H2092 8523 0.0 -1 1 {} H 0.0 {0.683999 0.104629 0.015577} H2093 8524 0.0 -1 1 {} H 0.0 {0.456247 0.838006 0.472536} H2094 8525 0.0 -1 1 {} H 0.0 {0.335968 0.928337 0.0911423} H2095 8526 0.0 -1 1 {} H 0.0 {0.61077 0.0949367 0.207756} H2096 8527 0.0 -1 1 {} H 0.0 {0.450721 0.89057 0.82647} H2097 8528 0.0 -1 1 {} H 0.0 {0.78057 0.107375 0.284836} H2098 8529 0.0 -1 1 {} H 0.0 {0.584186 0.194713 0.687471} H2099 8530 0.0 -1 8 {} O 0.0 {0.718458 0.127504 0.554879} O4632 8531 0.0 -1 8 {} O 0.0 {0.565755 0.11909 0.876552} O4633 8532 0.0 -1 8 {} O 0.0 {0.431875 0.848626 0.691096} O4634 8533 0.0 -1 8 {} O 0.0 {0.334746 0.92683 0.0475128} O4635 8534 0.0 -1 1 {} H 0.0 {0.554855 0.0798071 0.225786} H2100 8535 0.0 -1 1 {} H 0.0 {0.639096 0.121076 0.590043} H2101 8536 0.0 -1 1 {} H 0.0 {0.680911 0.111771 0.655149} H2102 8537 0.0 -1 1 {} H 0.0 {0.337411 0.930819 0.0220977} H2103 8538 0.0 -1 1 {} H 0.0 {0.595618 0.12504 0.0127698} H2104 8539 0.0 -1 1 {} H 0.0 {0.543198 0.136599 0.504168} H2105 8540 0.0 -1 1 {} H 0.0 {0.865419 0.101521 0.672121} H2106 8541 0.0 -1 1 {} H 0.0 {0.427376 0.124132 0.429442} H2107 8542 0.0 -1 8 {} O 0.0 {0.631888 0.104971 0.0652876} O4636 8543 0.0 -1 8 {} O 0.0 {0.607737 0.118805 0.136257} O4637 8544 0.0 -1 8 {} O 0.0 {0.657973 0.156224 0.147672} O4638 8545 0.0 -1 8 {} O 0.0 {0.465142 0.927781 0.171251} O4639 8546 0.0 -1 8 {} O 0.0 {0.606984 0.0963864 0.222028} O4640 8547 0.0 -1 8 {} O 0.0 {0.590706 0.140625 0.0222854} O4641 8548 0.0 -1 8 {} O 0.0 {0.76653 0.113298 0.521247} O4642 8549 0.0 -1 8 {} O 0.0 {0.430681 0.119617 0.444451} O4643 8550 0.0 -1 1 {} H 0.0 {0.541113 0.17428 0.582354} H2108 8551 0.0 -1 1 {} H 0.0 {0.588054 0.159581 0.533989} H2109 8552 0.0 -1 1 {} H 0.0 {0.742977 0.128866 0.348346} H2110 8553 0.0 -1 1 {} H 0.0 {0.672822 0.143211 0.486997} H2111 8554 0.0 -1 1 {} H 0.0 {0.848391 0.12197 0.283025} H2112 8555 0.0 -1 1 {} H 0.0 {0.631944 0.151265 0.847384} H2113 8556 0.0 -1 1 {} H 0.0 {0.559246 0.14821 0.859822} H2114 8557 0.0 -1 1 {} H 0.0 {0.34941 0.897918 0.300816} H2115 8558 0.0 -1 1 {} H 0.0 {0.519806 0.117463 0.799918} H2116 8559 0.0 -1 1 {} H 0.0 {0.561107 0.156138 0.502464} H2117 8560 0.0 -1 1 {} H 0.0 {0.448816 0.847101 0.951168} H2118 8561 0.0 -1 1 {} H 0.0 {0.549643 0.0948432 0.80056} H2119 8562 0.0 -1 1 {} H 0.0 {0.662996 0.14515 0.497255} H2120 8563 0.0 -1 1 {} H 0.0 {0.392969 0.925835 0.213273} H2121 8564 0.0 -1 1 {} H 0.0 {0.577069 0.214751 0.609541} H2122 8565 0.0 -1 1 {} H 0.0 {0.600642 0.186898 0.793916} H2123 8566 0.0 -1 8 {} O 0.0 {0.509274 0.104056 0.487101} O4644 8567 0.0 -1 8 {} O 0.0 {0.631796 0.185501 0.18776} O4645 8568 0.0 -1 8 {} O 0.0 {0.392524 0.916605 0.228809} O4646 8569 0.0 -1 8 {} O 0.0 {0.55161 0.101545 0.822768} O4647 8570 0.0 -1 1 {} H 0.0 {0.641465 0.183964 0.541498} H2124 8571 0.0 -1 1 {} H 0.0 {0.507932 0.871086 0.708094} H2125 8572 0.0 -1 1 {} H 0.0 {0.664515 0.14668 0.428209} H2126 8573 0.0 -1 1 {} H 0.0 {0.498613 0.0873001 0.60389} H2127 8574 0.0 -1 1 {} H 0.0 {0.603138 0.825003 0.52646} H2128 8575 0.0 -1 1 {} H 0.0 {0.371063 0.887054 0.482436} H2129 8576 0.0 -1 1 {} H 0.0 {0.482547 0.134297 0.570071} H2130 8577 0.0 -1 1 {} H 0.0 {0.55342 0.180725 0.428068} H2131 8578 0.0 -1 8 {} O 0.0 {0.663979 0.154959 0.0389122} O4648 8579 0.0 -1 8 {} O 0.0 {0.670288 0.118302 0.325601} O4649 8580 0.0 -1 8 {} O 0.0 {0.509796 0.15403 0.68376} O4650 8581 0.0 -1 8 {} O 0.0 {0.550656 0.177088 0.855269} O4651 8582 0.0 -1 8 {} O 0.0 {0.579332 0.804515 0.42532} O4652 8583 0.0 -1 8 {} O 0.0 {0.489868 0.798942 0.700201} O4653 8584 0.0 -1 8 {} O 0.0 {0.48944 0.139801 0.232901} O4654 8585 0.0 -1 8 {} O 0.0 {0.668781 0.132157 0.0822948} O4655 8586 0.0 -1 1 {} H 0.0 {0.512668 0.152386 0.848906} H2132 8587 0.0 -1 1 {} H 0.0 {0.39357 0.113052 0.416959} H2133 8588 0.0 -1 1 {} H 0.0 {0.526665 0.119958 0.186461} H2134 8589 0.0 -1 1 {} H 0.0 {0.559909 0.175366 0.0581083} H2135 8590 0.0 -1 8 {} O 0.0 {0.601425 0.19314 0.828639} O4656 8591 0.0 -1 8 {} O 0.0 {0.48053 0.199288 0.500343} O4657 8592 0.0 -1 1 {} H 0.0 {0.671542 0.129951 0.114357} H2136 8593 0.0 -1 1 {} H 0.0 {0.388538 0.916206 0.240138} H2137 8594 0.0 -1 1 {} H 0.0 {0.61388 0.15862 0.0725173} H2138 8595 0.0 -1 8 {} O 0.0 {0.590888 0.153434 0.690091} O4658 8596 0.0 -1 8 {} O 0.0 {0.4076 0.0996296 0.890115} O4659 8597 0.0 -1 8 {} O 0.0 {0.585395 0.166222 0.552523} O4660 8598 0.0 -1 1 {} H 0.0 {0.55052 0.826497 0.717785} H2139 8599 0.0 -1 1 {} H 0.0 {0.572757 0.82678 0.358763} H2140 8600 0.0 -1 1 {} H 0.0 {0.847061 0.127175 0.791785} H2141 8601 0.0 -1 1 {} H 0.0 {0.748569 0.0985518 0.284673} H2142 8602 0.0 -1 8 {} O 0.0 {0.80897 0.105137 0.0168167} O4661 8603 0.0 -1 1 {} H 0.0 {0.068087 0.959946 0.394886} H2143 8604 0.0 -1 1 {} H 0.0 {0.599887 0.819152 0.414938} H2144 8605 0.0 -1 1 {} H 0.0 {0.952799 0.952662 0.0786435} H2145 8606 0.0 -1 8 {} O 0.0 {0.433691 0.176403 0.530804} O4662 8607 0.0 -1 8 {} O 0.0 {0.375139 0.886655 0.873114} O4663 8608 0.0 -1 8 {} O 0.0 {0.767805 0.102963 0.327849} O4664 8609 0.0 -1 1 {} H 0.0 {0.922932 0.0838825 0.229859} H2146 8610 0.0 -1 1 {} H 0.0 {0.905156 0.103897 0.667361} H2147 8611 0.0 -1 1 {} H 0.0 {0.434023 0.181306 0.570642} H2148 8612 0.0 -1 1 {} H 0.0 {0.55928 0.822287 0.862236} H2149 8613 0.0 -1 1 {} H 0.0 {0.799306 0.0993302 0.6478} H2150 8614 0.0 -1 1 {} H 0.0 {0.693195 0.924508 0.641784} H2151 8615 0.0 -1 1 {} H 0.0 {0.0819788 0.950879 0.034709} H2152 8616 0.0 -1 1 {} H 0.0 {0.563411 0.883078 0.244822} H2153 8617 0.0 -1 1 {} H 0.0 {0.076611 0.946918 0.514299} H2154 8618 0.0 -1 1 {} H 0.0 {0.733392 0.124137 0.351877} H2155 8619 0.0 -1 1 {} H 0.0 {0.546406 0.885305 0.671345} H2156 8620 0.0 -1 1 {} H 0.0 {0.620887 0.937801 0.827704} H2157 8621 0.0 -1 1 {} H 0.0 {0.722448 0.945816 0.155517} H2158 8622 0.0 -1 1 {} H 0.0 {0.729246 0.91787 0.119641} H2159 8623 0.0 -1 1 {} H 0.0 {0.771433 0.105969 0.312003} H2160 8624 0.0 -1 1 {} H 0.0 {0.661418 0.888798 0.725713} H2161 8625 0.0 -1 8 {} O 0.0 {0.0780154 0.955217 0.496811} O4665 8626 0.0 -1 8 {} O 0.0 {0.616768 0.154417 0.273547} O4666 8627 0.0 -1 8 {} O 0.0 {0.716049 0.933171 0.0350165} O4667 8628 0.0 -1 8 {} O 0.0 {0.718535 0.923135 0.727918} O4668 8629 0.0 -1 1 {} H 0.0 {0.515742 0.808621 0.969065} H2162 8630 0.0 -1 1 {} H 0.0 {0.625742 0.901394 0.755349} H2163 8631 0.0 -1 1 {} H 0.0 {0.352919 0.927174 0.670807} H2164 8632 0.0 -1 1 {} H 0.0 {0.589068 0.827289 0.0084483} H2165 8633 0.0 -1 1 {} H 0.0 {0.436092 0.181492 0.504141} H2166 8634 0.0 -1 1 {} H 0.0 {0.484007 0.128152 0.508341} H2167 8635 0.0 -1 1 {} H 0.0 {0.613356 0.933572 0.00431423} H2168 8636 0.0 -1 1 {} H 0.0 {0.652953 0.900162 0.671666} H2169 8637 0.0 -1 8 {} O 0.0 {0.63565 0.915694 0.435981} O4669 8638 0.0 -1 8 {} O 0.0 {0.734516 0.123584 0.30532} O4670 8639 0.0 -1 8 {} O 0.0 {0.356417 0.922194 0.671698} O4671 8640 0.0 -1 8 {} O 0.0 {0.585935 0.827623 0.0358377} O4672 8641 0.0 -1 8 {} O 0.0 {0.562138 0.855694 0.508608} O4673 8642 0.0 -1 8 {} O 0.0 {0.689518 0.925319 0.625011} O4674 8643 0.0 -1 8 {} O 0.0 {0.649212 0.896974 0.67774} O4675 8644 0.0 -1 8 {} O 0.0 {0.667052 0.100926 0.87198} O4676 8645 0.0 -1 1 {} H 0.0 {0.729058 0.145474 0.576427} H2170 8646 0.0 -1 1 {} H 0.0 {0.82129 0.107053 0.650523} H2171 8647 0.0 -1 1 {} H 0.0 {0.555102 0.893396 0.819223} H2172 8648 0.0 -1 1 {} H 0.0 {0.507667 0.782603 0.100728} H2173 8649 0.0 -1 1 {} H 0.0 {0.748532 0.134151 0.351581} H2174 8650 0.0 -1 1 {} H 0.0 {0.64321 0.902542 0.976507} H2175 8651 0.0 -1 1 {} H 0.0 {0.600092 0.924338 0.0882882} H2176 8652 0.0 -1 1 {} H 0.0 {0.669412 0.883195 0.0297469} H2177 8653 0.0 -1 1 {} H 0.0 {0.567687 0.925043 0.446743} H2178 8654 0.0 -1 1 {} H 0.0 {0.85522 0.120138 0.214343} H2179 8655 0.0 -1 1 {} H 0.0 {0.719771 0.922353 0.979369} H2180 8656 0.0 -1 1 {} H 0.0 {0.44656 0.935471 0.786209} H2181 8657 0.0 -1 1 {} H 0.0 {0.524872 0.913476 0.323522} H2182 8658 0.0 -1 1 {} H 0.0 {0.453006 0.834481 0.739532} H2183 8659 0.0 -1 1 {} H 0.0 {0.877036 0.106575 0.17076} H2184 8660 0.0 -1 1 {} H 0.0 {0.685413 0.912618 0.453767} H2185 8661 0.0 -1 8 {} O 0.0 {0.506814 0.888495 0.346266} O4677 8662 0.0 -1 8 {} O 0.0 {0.839231 0.10341 0.619092} O4678 8663 0.0 -1 8 {} O 0.0 {0.661692 0.865941 0.60468} O4679 8664 0.0 -1 8 {} O 0.0 {0.446659 0.933071 0.830864} O4680 8665 0.0 -1 1 {} H 0.0 {0.575233 0.928316 0.204314} H2186 8666 0.0 -1 1 {} H 0.0 {0.62006 0.0912302 0.997762} H2187 8667 0.0 -1 1 {} H 0.0 {0.326362 0.939743 0.712437} H2188 8668 0.0 -1 1 {} H 0.0 {0.717205 0.91466 0.882764} H2189 8669 0.0 -1 1 {} H 0.0 {0.656292 0.903346 0.91106} H2190 8670 0.0 -1 1 {} H 0.0 {0.466226 0.87682 0.470147} H2191 8671 0.0 -1 1 {} H 0.0 {0.924031 0.0969346 0.607298} H2192 8672 0.0 -1 1 {} H 0.0 {0.750143 0.132382 0.608139} H2193 8673 0.0 -1 8 {} O 0.0 {0.661332 0.878574 0.730472} O4681 8674 0.0 -1 8 {} O 0.0 {0.727417 0.117812 0.836832} O4682 8675 0.0 -1 8 {} O 0.0 {0.338583 0.948132 0.824329} O4683 8676 0.0 -1 8 {} O 0.0 {0.618288 0.936852 0.51983} O4684 8677 0.0 -1 8 {} O 0.0 {0.523994 0.833863 0.123949} O4685 8678 0.0 -1 8 {} O 0.0 {0.707888 0.934593 0.470759} O4686 8679 0.0 -1 8 {} O 0.0 {0.848826 0.100986 0.0150563} O4687 8680 0.0 -1 8 {} O 0.0 {0.682399 0.143558 0.596737} O4688 8681 0.0 -1 1 {} H 0.0 {0.674053 0.170642 0.134401} H2194 8682 0.0 -1 1 {} H 0.0 {0.571969 0.844728 0.692292} H2195 8683 0.0 -1 1 {} H 0.0 {0.629425 0.930406 0.302668} H2196 8684 0.0 -1 1 {} H 0.0 {0.536986 0.88721 0.0294363} H2197 8685 0.0 -1 1 {} H 0.0 {0.647537 0.111246 0.939345} H2198 8686 0.0 -1 1 {} H 0.0 {0.568855 0.823525 0.0546827} H2199 8687 0.0 -1 1 {} H 0.0 {0.677971 0.158619 0.199216} H2200 8688 0.0 -1 1 {} H 0.0 {0.477995 0.849722 0.900149} H2201 8689 0.0 -1 1 {} H 0.0 {0.742583 0.919627 0.280053} H2202 8690 0.0 -1 1 {} H 0.0 {0.774114 0.932526 0.0374172} H2203 8691 0.0 -1 1 {} H 0.0 {0.417529 0.807381 0.951497} H2204 8692 0.0 -1 1 {} H 0.0 {0.498083 0.899428 0.199092} H2205 8693 0.0 -1 1 {} H 0.0 {0.520421 0.855838 0.797667} H2206 8694 0.0 -1 1 {} H 0.0 {0.41438 0.814872 0.00400787} H2207 8695 0.0 -1 1 {} H 0.0 {0.655087 0.876822 0.744588} H2208 8696 0.0 -1 1 {} H 0.0 {0.657355 0.135927 0.595289} H2209 8697 0.0 -1 8 {} O 0.0 {0.741427 0.913226 0.248753} O4689 8698 0.0 -1 8 {} O 0.0 {0.650778 0.876259 0.746944} O4690 8699 0.0 -1 8 {} O 0.0 {0.413871 0.811202 0.960373} O4691 8700 0.0 -1 8 {} O 0.0 {0.468085 0.888079 0.277917} O4692 8701 0.0 -1 1 {} H 0.0 {0.57739 0.904833 0.770623} H2210 8702 0.0 -1 1 {} H 0.0 {0.539241 0.855152 0.249571} H2211 8703 0.0 -1 1 {} H 0.0 {0.494762 0.884406 0.374186} H2212 8704 0.0 -1 1 {} H 0.0 {0.444247 0.848056 0.598913} H2213 8705 0.0 -1 1 {} H 0.0 {0.49704 0.896814 0.417095} H2214 8706 0.0 -1 1 {} H 0.0 {0.47112 0.893188 0.263296} H2215 8707 0.0 -1 1 {} H 0.0 {0.604972 0.919824 0.052504} H2216 8708 0.0 -1 1 {} H 0.0 {0.580734 0.826433 0.766345} H2217 8709 0.0 -1 8 {} O 0.0 {0.491314 0.820401 0.840882} O4693 8710 0.0 -1 8 {} O 0.0 {0.540684 0.851979 0.207843} O4694 8711 0.0 -1 8 {} O 0.0 {0.500265 0.84835 0.704257} O4695 8712 0.0 -1 8 {} O 0.0 {0.476856 0.939217 0.536405} O4696 8713 0.0 -1 8 {} O 0.0 {0.332187 0.917319 0.259964} O4697 8714 0.0 -1 8 {} O 0.0 {0.497664 0.887095 0.404659} O4698 8715 0.0 -1 8 {} O 0.0 {0.602906 0.91753 0.0913153} O4699 8716 0.0 -1 8 {} O 0.0 {0.580323 0.834369 0.795432} O4700 8717 0.0 -1 1 {} H 0.0 {0.616998 0.146382 0.245879} H2218 8718 0.0 -1 1 {} H 0.0 {0.500504 0.934163 0.846274} H2219 8719 0.0 -1 1 {} H 0.0 {0.500612 0.85503 0.668814} H2220 8720 0.0 -1 1 {} H 0.0 {0.39802 0.878482 0.358727} H2221 8721 0.0 -1 1 {} H 0.0 {0.743332 0.14055 0.440313} H2222 8722 0.0 -1 1 {} H 0.0 {0.672759 0.899868 0.842355} H2223 8723 0.0 -1 1 {} H 0.0 {0.888028 0.106359 0.973891} H2224 8724 0.0 -1 1 {} H 0.0 {0.543564 0.794961 0.54532} H2225 8725 0.0 -1 1 {} H 0.0 {0.772906 0.957321 0.0569341} H2226 8726 0.0 -1 1 {} H 0.0 {0.594233 0.822345 0.317326} H2227 8727 0.0 -1 1 {} H 0.0 {0.56174 0.826051 0.630786} H2228 8728 0.0 -1 1 {} H 0.0 {0.581783 0.843149 0.778055} H2229 8729 0.0 -1 1 {} H 0.0 {0.627073 0.934101 0.759184} H2230 8730 0.0 -1 1 {} H 0.0 {0.745185 0.917887 0.908436} H2231 8731 0.0 -1 1 {} H 0.0 {0.501264 0.844797 0.344313} H2232 8732 0.0 -1 1 {} H 0.0 {0.730923 0.938177 0.955048} H2233 8733 0.0 -1 8 {} O 0.0 {0.718959 0.948382 0.846791} O4701 8734 0.0 -1 8 {} O 0.0 {0.51565 0.81415 0.39875} O4702 8735 0.0 -1 8 {} O 0.0 {0.743786 0.92605 0.921212} O4703 8736 0.0 -1 8 {} O 0.0 {0.625973 0.928771 0.79699} O4704 8737 0.0 -1 1 {} H 0.0 {0.457553 0.938141 0.0356264} H2234 8738 0.0 -1 1 {} H 0.0 {0.501758 0.931495 0.655781} H2235 8739 0.0 -1 1 {} H 0.0 {0.56878 0.915511 0.165422} H2236 8740 0.0 -1 1 {} H 0.0 {0.521143 0.890709 0.685895} H2237 8741 0.0 -1 1 {} H 0.0 {0.454384 0.911624 0.368934} H2238 8742 0.0 -1 1 {} H 0.0 {0.618552 0.916376 0.513265} H2239 8743 0.0 -1 1 {} H 0.0 {0.398329 0.857869 0.339144} H2240 8744 0.0 -1 1 {} H 0.0 {0.614358 0.101757 0.353534} H2241 8745 0.0 -1 8 {} O 0.0 {0.459261 0.854894 0.106322} O4705 8746 0.0 -1 8 {} O 0.0 {0.462835 0.833446 0.640681} O4706 8747 0.0 -1 8 {} O 0.0 {0.496834 0.810549 0.180591} O4707 8748 0.0 -1 8 {} O 0.0 {0.522057 0.899745 0.705026} O4708 8749 0.0 -1 8 {} O 0.0 {0.569779 0.918654 0.208573} O4709 8750 0.0 -1 8 {} O 0.0 {0.640193 0.906893 0.816714} O4710 8751 0.0 -1 8 {} O 0.0 {0.675332 0.163236 0.224972} O4711 8752 0.0 -1 8 {} O 0.0 {0.685581 0.903035 0.462057} O4712 8753 0.0 -1 1 {} H 0.0 {0.766056 0.128689 0.431238} H2242 8754 0.0 -1 1 {} H 0.0 {0.706489 0.945832 0.820064} H2243 8755 0.0 -1 1 {} H 0.0 {0.510167 0.890984 0.872334} H2244 8756 0.0 -1 1 {} H 0.0 {0.264077 0.943039 0.732039} H2245 8757 0.0 -1 1 {} H 0.0 {0.659485 0.935944 0.908561} H2246 8758 0.0 -1 1 {} H 0.0 {0.519612 0.924602 0.0289052} H2247 8759 0.0 -1 1 {} H 0.0 {0.4934 0.85252 0.430069} H2248 8760 0.0 -1 1 {} H 0.0 {0.430733 0.853547 0.6544} H2249 8761 0.0 -1 1 {} H 0.0 {0.650158 0.899444 0.509605} H2250 8762 0.0 -1 1 {} H 0.0 {0.603407 0.920184 0.511567} H2251 8763 0.0 -1 1 {} H 0.0 {0.548578 0.762494 0.458319} H2252 8764 0.0 -1 1 {} H 0.0 {0.466007 0.831205 0.668548} H2253 8765 0.0 -1 1 {} H 0.0 {0.502076 0.75491 0.0155344} H2254 8766 0.0 -1 1 {} H 0.0 {0.348032 0.898036 0.986335} H2255 8767 0.0 -1 1 {} H 0.0 {0.641794 0.907431 0.113728} H2256 8768 0.0 -1 1 {} H 0.0 {0.597346 0.216663 0.660166} H2257 8769 0.0 -1 8 {} O 0.0 {0.760421 0.945524 0.185895} O4713 8770 0.0 -1 8 {} O 0.0 {0.545842 0.903427 0.507422} O4714 8771 0.0 -1 8 {} O 0.0 {0.63906 0.924621 0.0651193} O4715 8772 0.0 -1 8 {} O 0.0 {0.516965 0.940586 0.844516} O4716 8773 0.0 -1 1 {} H 0.0 {0.682149 0.902033 0.483611} H2258 8774 0.0 -1 1 {} H 0.0 {0.659495 0.908079 0.85129} H2259 8775 0.0 -1 1 {} H 0.0 {0.539129 0.924969 0.223209} H2260 8776 0.0 -1 1 {} H 0.0 {0.419338 0.923291 0.521901} H2261 8777 0.0 -1 1 {} H 0.0 {0.663339 0.933354 0.344169} H2262 8778 0.0 -1 1 {} H 0.0 {0.513791 0.927876 0.0336275} H2263 8779 0.0 -1 1 {} H 0.0 {0.22564 0.946665 0.371368} H2264 8780 0.0 -1 1 {} H 0.0 {0.673806 0.120573 0.340346} H2265 8781 0.0 -1 8 {} O 0.0 {0.417867 0.942999 0.533482} O4717 8782 0.0 -1 8 {} O 0.0 {0.656894 0.901676 0.86383} O4718 8783 0.0 -1 8 {} O 0.0 {0.296466 0.93911 0.529476} O4719 8784 0.0 -1 8 {} O 0.0 {0.306395 0.924294 0.48333} O4720 8785 0.0 -1 8 {} O 0.0 {0.660407 0.926455 0.342673} O4721 8786 0.0 -1 8 {} O 0.0 {0.516244 0.919735 0.0268445} O4722 8787 0.0 -1 8 {} O 0.0 {0.50123 0.750312 0.0554362} O4723 8788 0.0 -1 8 {} O 0.0 {0.323946 0.895132 0.317051} O4724 8789 0.0 -1 1 {} H 0.0 {0.515485 0.81883 0.436431} H2266 8790 0.0 -1 1 {} H 0.0 {0.66436 0.882029 0.0707712} H2267 8791 0.0 -1 1 {} H 0.0 {0.363731 0.88551 0.151342} H2268 8792 0.0 -1 1 {} H 0.0 {0.376749 0.913394 0.402736} H2269 8793 0.0 -1 1 {} H 0.0 {0.509388 0.814477 0.516171} H2270 8794 0.0 -1 1 {} H 0.0 {0.532142 0.802731 0.811204} H2271 8795 0.0 -1 1 {} H 0.0 {0.414746 0.893705 0.828184} H2272 8796 0.0 -1 1 {} H 0.0 {0.3558 0.932328 0.877596} H2273 8797 0.0 -1 1 {} H 0.0 {0.29572 0.935204 0.703744} H2274 8798 0.0 -1 1 {} H 0.0 {0.450606 0.14583 0.660808} H2275 8799 0.0 -1 1 {} H 0.0 {0.493781 0.791054 0.475411} H2276 8800 0.0 -1 1 {} H 0.0 {0.359788 0.910718 0.302412} H2277 8801 0.0 -1 1 {} H 0.0 {0.365424 0.909346 0.322859} H2278 8802 0.0 -1 1 {} H 0.0 {0.42115 0.937062 0.189204} H2279 8803 0.0 -1 1 {} H 0.0 {0.249206 0.926317 0.651215} H2280 8804 0.0 -1 1 {} H 0.0 {0.748621 0.941275 0.0943228} H2281 8805 0.0 -1 8 {} O 0.0 {0.88888 0.106834 0.926314} O4725 8806 0.0 -1 8 {} O 0.0 {0.602318 0.895891 0.353525} O4726 8807 0.0 -1 8 {} O 0.0 {0.417733 0.941888 0.194243} O4727 8808 0.0 -1 8 {} O 0.0 {0.363231 0.913462 0.289117} O4728 8809 0.0 -1 1 {} H 0.0 {0.441383 0.857372 0.130846} H2282 8810 0.0 -1 1 {} H 0.0 {0.628062 0.871175 0.642323} H2283 8811 0.0 -1 1 {} H 0.0 {0.269483 0.947628 0.50166} H2284 8812 0.0 -1 1 {} H 0.0 {0.440413 0.939644 0.509908} H2285 8813 0.0 -1 1 {} H 0.0 {0.46663 0.908165 0.727823} H2286 8814 0.0 -1 1 {} H 0.0 {0.526538 0.832104 0.407909} H2287 8815 0.0 -1 1 {} H 0.0 {0.623387 0.911762 0.597562} H2288 8816 0.0 -1 1 {} H 0.0 {0.538653 0.759809 0.487035} H2289 8817 0.0 -1 8 {} O 0.0 {0.46445 0.910697 0.692319} O4729 8818 0.0 -1 8 {} O 0.0 {0.529341 0.830384 0.375724} O4730 8819 0.0 -1 8 {} O 0.0 {0.465061 0.85335 0.863051} O4731 8820 0.0 -1 8 {} O 0.0 {0.295536 0.932972 0.383069} O4732 8821 0.0 -1 8 {} O 0.0 {0.677884 0.945884 0.160953} O4733 8822 0.0 -1 8 {} O 0.0 {0.595269 0.833651 0.977184} O4734 8823 0.0 -1 8 {} O 0.0 {0.627202 0.914433 0.609197} O4735 8824 0.0 -1 8 {} O 0.0 {0.196053 0.961784 0.779188} O4736 8825 0.0 -1 1 {} H 0.0 {0.360695 0.927171 0.519531} H2290 8826 0.0 -1 1 {} H 0.0 {0.464134 0.853373 0.910177} H2291 8827 0.0 -1 1 {} H 0.0 {0.492781 0.914535 0.830834} H2292 8828 0.0 -1 1 {} H 0.0 {0.531591 0.93375 0.825868} H2293 8829 0.0 -1 8 {} O 0.0 {0.597106 0.861734 0.0948795} O4737 8830 0.0 -1 8 {} O 0.0 {0.622467 0.917232 0.147056} O4738 8831 0.0 -1 1 {} H 0.0 {0.312433 0.142098 0.020196} H2294 8832 0.0 -1 1 {} H 0.0 {0.68608 0.934295 0.75546} H2295 8833 0.0 -1 1 {} H 0.0 {0.597864 0.871227 0.0908017} H2296 8834 0.0 -1 8 {} O 0.0 {0.384956 0.862261 0.919916} O4739 8835 0.0 -1 8 {} O 0.0 {0.382162 0.896202 0.537001} O4740 8836 0.0 -1 8 {} O 0.0 {0.417395 0.890551 0.861523} O4741 8837 0.0 -1 1 {} H 0.0 {0.64763 0.89451 0.635602} H2297 8838 0.0 -1 1 {} H 0.0 {0.803072 0.952426 0.436749} H2298 8839 0.0 -1 1 {} H 0.0 {0.489945 0.877602 0.190023} H2299 8840 0.0 -1 8 {} O 0.0 {0.767143 0.931335 0.587787} O4742 8841 0.0 -1 1 {} H 0.0 {0.588021 0.930019 0.549027} H2300 8842 0.0 -1 1 {} H 0.0 {0.558768 0.923218 0.426959} H2301 8843 0.0 -1 8 {} O 0.0 {0.397739 0.941345 0.181628} O4743 8844 0.0 -1 8 {} O 0.0 {0.487134 0.881715 0.214361} O4744 8845 0.0 -1 1 {} H 0.0 {0.763444 0.94115 0.533398} H2302 8846 0.0 -1 1 {} H 0.0 {0.588141 0.103686 0.853395} H2303 8847 0.0 -1 1 {} H 0.0 {0.648855 0.881826 0.795528} H2304 8848 0.0 -1 1 {} H 0.0 {0.486086 0.979264 0.559135} H2305 8849 0.0 -1 1 {} H 0.0 {0.602541 0.935685 0.839891} H2306 8850 0.0 -1 1 {} H 0.0 {0.578603 0.895464 0.829949} H2307 8851 0.0 -1 1 {} H 0.0 {0.524796 0.885292 0.921971} H2308 8852 0.0 -1 1 {} H 0.0 {0.523648 0.86853 0.81249} H2309 8853 0.0 -1 1 {} H 0.0 {0.755268 0.949653 0.348155} H2310 8854 0.0 -1 1 {} H 0.0 {0.502911 0.89042 0.356624} H2311 8855 0.0 -1 1 {} H 0.0 {0.398583 0.930603 0.375841} H2312 8856 0.0 -1 8 {} O 0.0 {0.517271 0.818607 0.772688} O4745 8857 0.0 -1 8 {} O 0.0 {0.547105 0.876798 0.693735} O4746 8858 0.0 -1 8 {} O 0.0 {0.522934 0.862317 0.77608} O4747 8859 0.0 -1 1 {} H 0.0 {0.688166 0.941393 0.0403292} H2313 8860 0.0 -1 1 {} H 0.0 {0.604365 0.86573 0.758397} H2314 8861 0.0 -1 1 {} H 0.0 {0.552893 0.931955 0.837824} H2315 8862 0.0 -1 1 {} H 0.0 {0.487469 0.974195 0.57791} H2316 8863 0.0 -1 1 {} H 0.0 {0.575716 0.8181 0.419119} H2317 8864 0.0 -1 1 {} H 0.0 {0.482723 0.888351 0.699086} H2318 8865 0.0 -1 8 {} O 0.0 {0.617344 0.942505 0.832719} O4748 8866 0.0 -1 8 {} O 0.0 {0.484711 0.136284 0.533368} O4749 8867 0.0 -1 8 {} O 0.0 {0.618173 0.900669 0.340949} O4750 8868 0.0 -1 8 {} O 0.0 {0.573192 0.826193 0.407335} O4751 8869 0.0 -1 8 {} O 0.0 {0.395434 0.924854 0.373861} O4752 8870 0.0 -1 1 {} H 0.0 {0.372371 0.938031 0.4089} H2319 8871 0.0 -1 1 {} H 0.0 {0.521465 0.902809 0.364175} H2320 8872 0.0 -1 1 {} H 0.0 {0.523659 0.840833 0.0924543} H2321 8873 0.0 -1 1 {} H 0.0 {0.672628 0.939699 0.351947} H2322 8874 0.0 -1 1 {} H 0.0 {0.630291 0.857054 0.162636} H2323 8875 0.0 -1 1 {} H 0.0 {0.691278 0.906116 0.19463} H2324 8876 0.0 -1 1 {} H 0.0 {0.545666 0.824975 0.509284} H2325 8877 0.0 -1 1 {} H 0.0 {0.495011 0.790075 0.182341} H2326 8878 0.0 -1 1 {} H 0.0 {0.450511 0.943979 0.0554355} H2327 8879 0.0 -1 1 {} H 0.0 {0.631448 0.886012 0.119141} H2328 8880 0.0 -1 1 {} H 0.0 {0.497178 0.893905 0.965921} H2329 8881 0.0 -1 8 {} O 0.0 {0.688795 0.905547 0.158854} O4753 8882 0.0 -1 8 {} O 0.0 {0.494563 0.910025 0.796251} O4754 8883 0.0 -1 8 {} O 0.0 {0.494703 0.781315 0.19828} O4755 8884 0.0 -1 1 {} H 0.0 {0.676692 0.906057 0.0298321} H2330 8885 0.0 -1 1 {} H 0.0 {0.626213 0.85397 0.106372} H2331 8886 0.0 -1 1 {} H 0.0 {0.480222 0.825865 0.755408} H2332 8887 0.0 -1 1 {} H 0.0 {0.692229 0.940694 0.345847} H2333 8888 0.0 -1 1 {} H 0.0 {0.66586 0.921639 0.210408} H2334 8889 0.0 -1 1 {} H 0.0 {0.723896 0.927821 0.770842} H2335 8890 0.0 -1 8 {} O 0.0 {0.530708 0.76996 0.599121} O4756 8891 0.0 -1 8 {} O 0.0 {0.456607 0.838235 0.735483} O4757 8892 0.0 -1 8 {} O 0.0 {0.629999 0.856827 0.113251} O4758 8893 0.0 -1 8 {} O 0.0 {0.661991 0.921482 0.210147} O4759 8894 0.0 -1 8 {} O 0.0 {0.667103 0.876857 0.0536859} O4760 8895 0.0 -1 1 {} H 0.0 {0.333415 0.920897 0.672202} H2336 8896 0.0 -1 1 {} H 0.0 {0.592622 0.932719 0.146332} H2337 8897 0.0 -1 1 {} H 0.0 {0.370152 0.863172 0.334835} H2338 8898 0.0 -1 1 {} H 0.0 {0.586105 0.936305 0.367055} H2339 8899 0.0 -1 1 {} H 0.0 {0.273631 0.940225 0.360575} H2340 8900 0.0 -1 1 {} H 0.0 {0.542781 0.907651 0.997019} H2341 8901 0.0 -1 1 {} H 0.0 {0.512264 0.881313 0.922883} H2342 8902 0.0 -1 1 {} H 0.0 {0.521028 0.939505 0.490042} H2343 8903 0.0 -1 1 {} H 0.0 {0.190949 0.961329 0.734833} H2344 8904 0.0 -1 1 {} H 0.0 {0.53613 0.820525 0.0345825} H2345 8905 0.0 -1 1 {} H 0.0 {0.609172 0.853366 0.169592} H2346 8906 0.0 -1 8 {} O 0.0 {0.496939 0.903574 0.971889} O4761 8907 0.0 -1 8 {} O 0.0 {0.50947 0.873518 0.66364} O4762 8908 0.0 -1 8 {} O 0.0 {0.527101 0.86574 0.123658} O4763 8909 0.0 -1 1 {} H 0.0 {0.530392 0.869822 0.103859} H2347 8910 0.0 -1 1 {} H 0.0 {0.605813 0.917472 0.945746} H2348 8911 0.0 -1 1 {} H 0.0 {0.468207 0.930096 0.197527} H2349 8912 0.0 -1 1 {} H 0.0 {0.60457 0.943244 0.409232} H2350 8913 0.0 -1 1 {} H 0.0 {0.492556 0.817746 0.954705} H2351 8914 0.0 -1 1 {} H 0.0 {0.610505 0.907516 0.220501} H2352 8915 0.0 -1 8 {} O 0.0 {0.481844 0.880378 0.676895} O4764 8916 0.0 -1 8 {} O 0.0 {0.606143 0.908406 0.932144} O4765 8917 0.0 -1 8 {} O 0.0 {0.456473 0.943932 0.185255} O4766 8918 0.0 -1 8 {} O 0.0 {0.4924 0.811459 0.991052} O4767 8919 0.0 -1 8 {} O 0.0 {0.526051 0.803591 0.742963} O4768 8920 0.0 -1 1 {} H 0.0 {0.475391 0.91832 0.35416} H2353 8921 0.0 -1 1 {} H 0.0 {0.740176 0.941719 0.416967} H2354 8922 0.0 -1 1 {} H 0.0 {0.567208 0.926011 0.214482} H2355 8923 0.0 -1 1 {} H 0.0 {0.52025 0.0464515 0.0631397} H2356 8924 0.0 -1 1 {} H 0.0 {0.512484 0.925256 0.662184} H2357 8925 0.0 -1 1 {} H 0.0 {0.32633 0.928877 0.103579} H2358 8926 0.0 -1 1 {} H 0.0 {0.630638 0.902933 0.559831} H2359 8927 0.0 -1 1 {} H 0.0 {0.309816 0.923528 0.897433} H2360 8928 0.0 -1 1 {} H 0.0 {0.372476 0.898871 0.00742316} H2361 8929 0.0 -1 1 {} H 0.0 {0.633349 0.904259 0.493488} H2362 8930 0.0 -1 1 {} H 0.0 {0.553649 0.932006 0.0463776} H2363 8931 0.0 -1 8 {} O 0.0 {0.536117 0.930367 0.206703} O4769 8932 0.0 -1 8 {} O 0.0 {0.632509 0.898018 0.526932} O4770 8933 0.0 -1 8 {} O 0.0 {0.374663 0.890835 0.0136518} O4771 8934 0.0 -1 1 {} H 0.0 {0.313708 0.910301 0.315286} H2364 8935 0.0 -1 1 {} H 0.0 {0.74113 0.94757 0.351397} H2365 8936 0.0 -1 1 {} H 0.0 {0.307944 0.93473 0.170167} H2366 8937 0.0 -1 1 {} H 0.0 {0.519165 0.0398899 0.0537996} H2367 8938 0.0 -1 1 {} H 0.0 {0.575923 0.892475 0.246477} H2368 8939 0.0 -1 1 {} H 0.0 {0.465855 0.846343 0.216187} H2369 8940 0.0 -1 8 {} O 0.0 {0.339287 0.909834 0.342706} O4772 8941 0.0 -1 8 {} O 0.0 {0.739054 0.940327 0.372873} O4773 8942 0.0 -1 8 {} O 0.0 {0.515612 0.919506 0.659657} O4774 8943 0.0 -1 8 {} O 0.0 {0.578125 0.898815 0.270087} O4775 8944 0.0 -1 8 {} O 0.0 {0.355568 0.89459 0.331891} O4776 8945 0.0 -1 1 {} H 0.0 {0.440572 0.909726 0.259557} H2370 8946 0.0 -1 1 {} H 0.0 {0.567413 0.780009 0.0142986} H2371 8947 0.0 -1 1 {} H 0.0 {0.7296 0.943454 0.0882572} H2372 8948 0.0 -1 1 {} H 0.0 {0.0530697 0.95486 0.351709} H2373 8949 0.0 -1 1 {} H 0.0 {0.401543 0.937639 0.180257} H2374 8950 0.0 -1 1 {} H 0.0 {0.525318 0.799848 0.700281} H2375 8951 0.0 -1 1 {} H 0.0 {0.39468 0.858741 0.051186} H2376 8952 0.0 -1 1 {} H 0.0 {0.313578 0.93347 0.32915} H2377 8953 0.0 -1 1 {} H 0.0 {0.315115 0.931565 0.394261} H2378 8954 0.0 -1 1 {} H 0.0 {0.42359 0.819486 0.237509} H2379 8955 0.0 -1 1 {} H 0.0 {0.326453 0.932307 0.433486} H2380 8956 0.0 -1 8 {} O 0.0 {0.403308 0.859542 0.478433} O4777 8957 0.0 -1 8 {} O 0.0 {0.393287 0.849678 0.0425566} O4778 8958 0.0 -1 8 {} O 0.0 {0.316117 0.927752 0.353383} O4779 8959 0.0 -1 1 {} H 0.0 {0.38254 0.954314 0.748185} H2381 8960 0.0 -1 1 {} H 0.0 {0.505582 0.841282 0.291754} H2382 8961 0.0 -1 1 {} H 0.0 {0.369062 0.884537 0.808357} H2383 8962 0.0 -1 1 {} H 0.0 {0.0265387 0.941137 0.318307} H2384 8963 0.0 -1 1 {} H 0.0 {0.559862 0.935444 0.0444606} H2385 8964 0.0 -1 1 {} H 0.0 {0.443695 0.92662 0.132798} H2386 8965 0.0 -1 8 {} O 0.0 {0.397836 0.938918 0.870402} O4780 8966 0.0 -1 8 {} O 0.0 {0.502258 0.838249 0.311601} O4781 8967 0.0 -1 8 {} O 0.0 {0.411059 0.900342 0.763505} O4782 8968 0.0 -1 8 {} O 0.0 {0.557128 0.928872 0.0577002} O4783 8969 0.0 -1 8 {} O 0.0 {0.446951 0.92059 0.136833} O4784 8970 0.0 -1 1 {} H 0.0 {0.312201 0.93331 0.507251} H2387 8971 0.0 -1 1 {} H 0.0 {0.484699 0.86714 0.881697} H2388 8972 0.0 -1 1 {} H 0.0 {0.732443 0.935454 0.518686} H2389 8973 0.0 -1 1 {} H 0.0 {0.468681 0.849214 0.506603} H2390 8974 0.0 -1 1 {} H 0.0 {0.343605 0.920043 0.768014} H2391 8975 0.0 -1 1 {} H 0.0 {0.437631 0.847289 0.0545998} H2392 8976 0.0 -1 1 {} H 0.0 {0.620777 0.913615 0.992645} H2393 8977 0.0 -1 1 {} H 0.0 {0.395578 0.881952 0.0840154} H2394 8978 0.0 -1 1 {} H 0.0 {0.32987 0.941364 0.809618} H2395 8979 0.0 -1 1 {} H 0.0 {0.489653 0.841538 0.417868} H2396 8980 0.0 -1 1 {} H 0.0 {0.520857 0.807429 0.258251} H2397 8981 0.0 -1 8 {} O 0.0 {0.437886 0.838167 0.0329742} O4785 8982 0.0 -1 8 {} O 0.0 {0.63352 0.862203 0.234436} O4786 8983 0.0 -1 8 {} O 0.0 {0.398557 0.887863 0.344397} O4787 8984 0.0 -1 1 {} H 0.0 {0.509947 0.764528 0.948434} H2398 8985 0.0 -1 1 {} H 0.0 {0.519847 0.881873 0.876074} H2399 8986 0.0 -1 1 {} H 0.0 {0.365057 0.905768 0.212348} H2400 8987 0.0 -1 1 {} H 0.0 {0.406879 0.860952 0.450754} H2401 8988 0.0 -1 1 {} H 0.0 {0.500347 0.832582 0.0626509} H2402 8989 0.0 -1 1 {} H 0.0 {0.546635 0.858625 0.65149} H2403 8990 0.0 -1 8 {} O 0.0 {0.412427 0.858462 0.983241} O4788 8991 0.0 -1 8 {} O 0.0 {0.523938 0.881448 0.879143} O4789 8992 0.0 -1 8 {} O 0.0 {0.397364 0.87454 0.102026} O4790 8993 0.0 -1 8 {} O 0.0 {0.312841 0.919948 0.872533} O4791 8994 0.0 -1 8 {} O 0.0 {0.36597 0.904026 0.166731} O4792 8995 0.0 -1 1 {} H 0.0 {0.542709 0.801644 0.650776} H2404 8996 0.0 -1 1 {} H 0.0 {0.499121 0.778339 0.127765} H2405 8997 0.0 -1 8 {} O 0.0 {0.408699 0.895334 0.385183} O4793 8998 0.0 -1 1 {} H 0.0 {0.504676 0.769393 0.924049} H2406 8999 0.0 -1 1 {} H 0.0 {0.405772 0.925349 0.788164} H2407 9000 0.0 -1 8 {} O 0.0 {0.506179 0.762072 0.947474} O4794 9001 0.0 -1 8 {} O 0.0 {0.469354 0.851419 0.22015} O4795 9002 0.0 -1 1 {} H 0.0 {0.71492 0.0998496 0.854378} H2408 9003 0.0 -1 1 {} H 0.0 {0.680349 0.178761 0.7304} H2409 9004 0.0 -1 1 {} H 0.0 {0.9237 0.112343 0.899188} H2410 9005 0.0 -1 1 {} H 0.0 {0.696048 0.135349 0.525487} H2411 9006 0.0 -1 1 {} H 0.0 {0.862025 0.106675 0.481505} H2412 9007 0.0 -1 8 {} O 0.0 {0.707703 0.0932535 0.677771} O4796 9008 0.0 -1 8 {} O 0.0 {0.707961 0.099304 0.0280246} O4797 9009 0.0 -1 1 {} H 0.0 {0.677377 0.115834 0.184991} H2413 9010 0.0 -1 1 {} H 0.0 {0.66656 0.098749 0.342738} H2414 9011 0.0 -1 1 {} H 0.0 {0.699882 0.138939 0.202856} H2415 9012 0.0 -1 1 {} H 0.0 {0.668121 0.0948649 0.667549} H2416 9013 0.0 -1 1 {} H 0.0 {0.677209 0.166908 0.866696} H2417 9014 0.0 -1 1 {} H 0.0 {0.65139 0.0947843 0.972571} H2418 9015 0.0 -1 1 {} H 0.0 {0.747949 0.134494 0.897207} H2419 9016 0.0 -1 1 {} H 0.0 {0.601735 0.105192 0.412064} H2420 9017 0.0 -1 1 {} H 0.0 {0.645017 0.120421 0.572458} H2421 9018 0.0 -1 1 {} H 0.0 {0.7234 0.0985084 0.208344} H2422 9019 0.0 -1 1 {} H 0.0 {0.657101 0.0802722 0.572381} H2423 9020 0.0 -1 8 {} O 0.0 {0.927576 0.11374 0.914133} O4798 9021 0.0 -1 8 {} O 0.0 {0.749219 0.143375 0.898787} O4799 9022 0.0 -1 8 {} O 0.0 {0.668713 0.106792 0.640953} O4800 9023 0.0 -1 1 {} H 0.0 {0.680077 0.0947604 0.526384} H2424 9024 0.0 -1 1 {} H 0.0 {0.860262 0.109285 0.580763} H2425 9025 0.0 -1 1 {} H 0.0 {0.656406 0.0918323 0.879782} H2426 9026 0.0 -1 1 {} H 0.0 {0.821499 0.117508 0.252038} H2427 9027 0.0 -1 1 {} H 0.0 {0.810958 0.110696 0.199874} H2428 9028 0.0 -1 1 {} H 0.0 {0.701413 0.0951332 0.50241} H2429 9029 0.0 -1 8 {} O 0.0 {0.854331 0.124699 0.254881} O4801 9030 0.0 -1 8 {} O 0.0 {0.717398 0.136586 0.266379} O4802 9031 0.0 -1 8 {} O 0.0 {0.582392 0.127625 0.388937} O4803 9032 0.0 -1 8 {} O 0.0 {0.687189 0.0981487 0.686123} O4804 9033 0.0 -1 8 {} O 0.0 {0.699728 0.137536 0.155657} O4805 9034 0.0 -1 1 {} H 0.0 {0.715068 0.134714 0.229984} H2430 9035 0.0 -1 1 {} H 0.0 {0.734005 0.141283 0.68583} H2431 9036 0.0 -1 1 {} H 0.0 {0.710154 0.126665 0.759885} H2432 9037 0.0 -1 1 {} H 0.0 {0.548509 0.195745 0.262252} H2433 9038 0.0 -1 1 {} H 0.0 {0.706448 0.133215 0.152912} H2434 9039 0.0 -1 1 {} H 0.0 {0.594232 0.176137 0.360958} H2435 9040 0.0 -1 1 {} H 0.0 {0.723168 0.162462 0.556908} H2436 9041 0.0 -1 1 {} H 0.0 {0.600505 0.168725 0.721567} H2437 9042 0.0 -1 1 {} H 0.0 {0.648364 0.0968996 0.68818} H2438 9043 0.0 -1 1 {} H 0.0 {0.720223 0.17272 0.517666} H2439 9044 0.0 -1 1 {} H 0.0 {0.641711 0.0961683 0.494955} H2440 9045 0.0 -1 8 {} O 0.0 {0.598762 0.215751 0.978986} O4806 9046 0.0 -1 8 {} O 0.0 {0.722391 0.171904 0.555383} O4807 9047 0.0 -1 8 {} O 0.0 {0.647548 0.0881439 0.665264} O4808 9048 0.0 -1 1 {} H 0.0 {0.706981 0.0980625 0.184912} H2441 9049 0.0 -1 1 {} H 0.0 {0.645958 0.16017 0.568594} H2442 9050 0.0 -1 1 {} H 0.0 {0.634224 0.0931901 0.853464} H2443 9051 0.0 -1 1 {} H 0.0 {0.550464 0.120621 0.798519} H2444 9052 0.0 -1 1 {} H 0.0 {0.733399 0.126928 0.658975} H2445 9053 0.0 -1 1 {} H 0.0 {0.667485 0.10488 0.592517} H2446 9054 0.0 -1 8 {} O 0.0 {0.708589 0.132758 0.785569} O4809 9055 0.0 -1 8 {} O 0.0 {0.73698 0.149165 0.752498} O4810 9056 0.0 -1 8 {} O 0.0 {0.740749 0.156021 0.25777} O4811 9057 0.0 -1 8 {} O 0.0 {0.705913 0.103616 0.220006} O4812 9058 0.0 -1 8 {} O 0.0 {0.733186 0.136353 0.646611} O4813 9059 0.0 -1 1 {} H 0.0 {0.897294 0.109128 0.475394} H2447 9060 0.0 -1 1 {} H 0.0 {0.787985 0.116677 0.912716} H2448 9061 0.0 -1 1 {} H 0.0 {0.601775 0.189068 0.457761} H2449 9062 0.0 -1 1 {} H 0.0 {0.618301 0.0186918 0.998441} H2450 9063 0.0 -1 1 {} H 0.0 {0.804655 0.109827 0.195481} H2451 9064 0.0 -1 1 {} H 0.0 {0.631012 0.0892507 0.672577} H2452 9065 0.0 -1 1 {} H 0.0 {0.65636 0.121099 0.689528} H2453 9066 0.0 -1 1 {} H 0.0 {0.580504 0.12324 0.864523} H2454 9067 0.0 -1 1 {} H 0.0 {0.6171 0.0877664 0.88828} H2455 9068 0.0 -1 1 {} H 0.0 {0.666502 0.147411 0.807444} H2456 9069 0.0 -1 1 {} H 0.0 {0.618482 0.0948533 0.522607} H2457 9070 0.0 -1 8 {} O 0.0 {0.62738 0.0849731 0.674513} O4814 9071 0.0 -1 8 {} O 0.0 {0.664226 0.153589 0.837127} O4815 9072 0.0 -1 8 {} O 0.0 {0.580797 0.132531 0.877127} O4816 9073 0.0 -1 1 {} H 0.0 {0.622122 0.17889 0.778069} H2458 9074 0.0 -1 1 {} H 0.0 {0.610756 0.0926725 0.674687} H2459 9075 0.0 -1 1 {} H 0.0 {0.686458 0.115035 0.912626} H2460 9076 0.0 -1 1 {} H 0.0 {0.667414 0.10542 0.49317} H2461 9077 0.0 -1 1 {} H 0.0 {0.724278 0.112532 0.849444} H2462 9078 0.0 -1 1 {} H 0.0 {0.737497 0.158975 0.746568} H2463 9079 0.0 -1 8 {} O 0.0 {0.554463 0.104051 0.401749} O4817 9080 0.0 -1 8 {} O 0.0 {0.693879 0.140252 0.856454} O4818 9081 0.0 -1 8 {} O 0.0 {0.606053 0.0816436 0.00545476} O4819 9082 0.0 -1 8 {} O 0.0 {0.664767 0.108666 0.52348} O4820 9083 0.0 -1 8 {} O 0.0 {0.777203 0.112716 0.283056} O4821 9084 0.0 -1 1 {} H 0.0 {0.690464 0.1434 0.836895} H2464 9085 0.0 -1 1 {} H 0.0 {0.615121 0.177055 0.607393} H2465 9086 0.0 -1 1 {} H 0.0 {0.613169 0.132325 0.992981} H2466 9087 0.0 -1 1 {} H 0.0 {0.582776 0.100875 0.700038} H2467 9088 0.0 -1 1 {} H 0.0 {0.677628 0.138402 0.0205783} H2468 9089 0.0 -1 1 {} H 0.0 {0.601921 0.0909893 0.526055} H2469 9090 0.0 -1 1 {} H 0.0 {0.639091 0.171521 0.267955} H2470 9091 0.0 -1 1 {} H 0.0 {0.585898 0.0848827 0.701499} H2471 9092 0.0 -1 1 {} H 0.0 {0.550238 0.172674 0.815111} H2472 9093 0.0 -1 1 {} H 0.0 {0.634236 0.180321 0.264608} H2473 9094 0.0 -1 1 {} H 0.0 {0.57395 0.0845014 0.543549} H2474 9095 0.0 -1 8 {} O 0.0 {0.607153 0.0890433 0.68115} O4822 9096 0.0 -1 8 {} O 0.0 {0.636476 0.17588 0.294278} O4823 9097 0.0 -1 8 {} O 0.0 {0.586382 0.0963699 0.682444} O4824 9098 0.0 -1 1 {} H 0.0 {0.586335 0.0956561 0.629603} H2475 9099 0.0 -1 1 {} H 0.0 {0.452148 0.10046 0.687491} H2476 9100 0.0 -1 1 {} H 0.0 {0.646655 0.116776 0.756095} H2477 9101 0.0 -1 1 {} H 0.0 {0.598876 0.0936614 0.828387} H2478 9102 0.0 -1 1 {} H 0.0 {0.582977 0.17826 0.409228} H2479 9103 0.0 -1 1 {} H 0.0 {0.616945 0.0216761 0.968181} H2480 9104 0.0 -1 8 {} O 0.0 {0.610394 0.130405 0.0290248} O4825 9105 0.0 -1 8 {} O 0.0 {0.499465 0.157214 0.490594} O4826 9106 0.0 -1 8 {} O 0.0 {0.623125 0.178028 0.61839} O4827 9107 0.0 -1 8 {} O 0.0 {0.649448 0.110335 0.739337} O4828 9108 0.0 -1 8 {} O 0.0 {0.579736 0.17869 0.435763} O4829 9109 0.0 -1 1 {} H 0.0 {0.512771 0.156918 0.657794} H2481 9110 0.0 -1 1 {} H 0.0 {0.656861 0.146659 0.152887} H2482 9111 0.0 -1 1 {} H 0.0 {0.572133 0.0762869 0.310686} H2483 9112 0.0 -1 1 {} H 0.0 {0.54418 0.083579 0.678776} H2484 9113 0.0 -1 1 {} H 0.0 {0.536978 0.126015 0.801758} H2485 9114 0.0 -1 1 {} H 0.0 {0.563417 0.0892031 0.685709} H2486 9115 0.0 -1 1 {} H 0.0 {0.566063 0.124223 0.921243} H2487 9116 0.0 -1 1 {} H 0.0 {0.529462 0.786953 0.114376} H2488 9117 0.0 -1 1 {} H 0.0 {0.568632 0.0925776 0.0740993} H2489 9118 0.0 -1 1 {} H 0.0 {0.577528 0.203493 0.915341} H2490 9119 0.0 -1 1 {} H 0.0 {0.555981 0.0924271 0.467443} H2491 9120 0.0 -1 8 {} O 0.0 {0.567617 0.0869998 0.700187} O4830 9121 0.0 -1 8 {} O 0.0 {0.548885 0.198055 0.591536} O4831 9122 0.0 -1 8 {} O 0.0 {0.539115 0.13167 0.771861} O4832 9123 0.0 -1 1 {} H 0.0 {0.469309 0.145053 0.406438} H2492 9124 0.0 -1 1 {} H 0.0 {0.63879 0.143897 0.00130057} H2493 9125 0.0 -1 1 {} H 0.0 {0.498447 0.171419 0.70372} H2494 9126 0.0 -1 1 {} H 0.0 {0.650599 0.139843 0.307851} H2495 9127 0.0 -1 1 {} H 0.0 {0.731055 0.134497 0.262845} H2496 9128 0.0 -1 1 {} H 0.0 {0.544142 0.165994 0.451674} H2497 9129 0.0 -1 8 {} O 0.0 {0.542554 0.100222 0.938178} O4833 9130 0.0 -1 8 {} O 0.0 {0.567817 0.123155 0.562913} O4834 9131 0.0 -1 8 {} O 0.0 {0.49655 0.171459 0.744991} O4835 9132 0.0 -1 8 {} O 0.0 {0.568195 0.0857684 0.0411153} O4836 9133 0.0 -1 8 {} O 0.0 {0.72932 0.140355 0.228299} O4837 9134 0.0 -1 1 {} H 0.0 {0.501948 0.195355 0.528843} H2498 9135 0.0 -1 1 {} H 0.0 {0.44502 0.0972101 0.189293} H2499 9136 0.0 -1 1 {} H 0.0 {0.487239 0.165011 0.514341} H2500 9137 0.0 -1 1 {} H 0.0 {0.638389 0.152159 0.693044} H2501 9138 0.0 -1 1 {} H 0.0 {0.596012 0.151684 0.475303} H2502 9139 0.0 -1 1 {} H 0.0 {0.50001 0.12632 0.638864} H2503 9140 0.0 -1 1 {} H 0.0 {0.885614 0.108441 0.902862} H2504 9141 0.0 -1 1 {} H 0.0 {0.579042 0.168194 0.811376} H2505 9142 0.0 -1 1 {} H 0.0 {0.525933 0.0881605 0.68019} H2506 9143 0.0 -1 1 {} H 0.0 {0.589034 0.171611 0.109157} H2507 9144 0.0 -1 1 {} H 0.0 {0.532997 0.0973122 0.0344257} H2508 9145 0.0 -1 8 {} O 0.0 {0.547247 0.0770212 0.677349} O4838 9146 0.0 -1 8 {} O 0.0 {0.590817 0.164157 0.0854477} O4839 9147 0.0 -1 8 {} O 0.0 {0.497003 0.132133 0.657023} O4840 9148 0.0 -1 1 {} H 0.0 {0.493947 0.126454 0.664373} H2509 9149 0.0 -1 1 {} H 0.0 {0.488183 0.106571 0.8456} H2510 9150 0.0 -1 1 {} H 0.0 {0.536037 0.112681 0.649549} H2511 9151 0.0 -1 1 {} H 0.0 {0.460823 0.163773 0.861827} H2512 9152 0.0 -1 1 {} H 0.0 {0.44705 0.0984116 0.253822} H2513 9153 0.0 -1 1 {} H 0.0 {0.571532 0.125574 0.566766} H2514 9154 0.0 -1 8 {} O 0.0 {0.499087 0.19491 0.561288} O4841 9155 0.0 -1 8 {} O 0.0 {0.491596 0.108748 0.831017} O4842 9156 0.0 -1 8 {} O 0.0 {0.555042 0.121446 0.0674503} O4843 9157 0.0 -1 8 {} O 0.0 {0.459465 0.173021 0.866658} O4844 9158 0.0 -1 8 {} O 0.0 {0.447739 0.102385 0.213652} O4845 9159 0.0 -1 1 {} H 0.0 {0.552346 0.15461 0.672756} H2515 9160 0.0 -1 1 {} H 0.0 {0.479836 0.164609 0.932075} H2516 9161 0.0 -1 1 {} H 0.0 {0.643558 0.158036 0.727682} H2517 9162 0.0 -1 8 {} O 0.0 {0.529241 0.0858918 0.702089} O4846 9163 0.0 -1 8 {} O 0.0 {0.640461 0.160285 0.696148} O4847 9164 0.0 -1 1 {} H 0.0 {0.607709 0.135659 0.389714} H2518 9165 0.0 -1 1 {} H 0.0 {0.520122 0.0851279 0.548031} H2519 9166 0.0 -1 8 {} O 0.0 {0.483328 0.163741 0.908372} O4848 9167 0.0 -1 8 {} O 0.0 {0.524577 0.114227 0.482064} O4849 9168 0.0 -1 1 {} H 0.0 {0.734639 0.118865 0.132381} H2520 9169 0.0 -1 1 {} H 0.0 {0.885991 0.100704 0.664737} H2521 9170 0.0 -1 1 {} H 0.0 {0.746773 0.112324 0.916859} H2522 9171 0.0 -1 1 {} H 0.0 {0.827413 0.116508 0.0411133} H2523 9172 0.0 -1 8 {} O 0.0 {0.746066 0.116203 0.877679} O4850 9173 0.0 -1 1 {} H 0.0 {0.717301 0.930291 0.208473} H2524 9174 0.0 -1 1 {} H 0.0 {0.773318 0.113047 0.111613} H2525 9175 0.0 -1 1 {} H 0.0 {0.84491 0.116295 0.741689} H2526 9176 0.0 -1 8 {} O 0.0 {0.716538 0.922591 0.240513} O4851 9177 0.0 -1 8 {} O 0.0 {0.787974 0.101219 0.306918} O4852 9178 0.0 -1 8 {} O 0.0 {0.87008 0.112709 0.885581} O4853 9179 0.0 -1 1 {} H 0.0 {0.757149 0.111563 0.595437} H2527 9180 0.0 -1 1 {} H 0.0 {0.624197 0.168933 0.604103} H2528 9181 0.0 -1 1 {} H 0.0 {0.717417 0.926834 0.277721} H2529 9182 0.0 -1 1 {} H 0.0 {0.751431 0.0897072 0.95533} H2530 9183 0.0 -1 1 {} H 0.0 {0.686553 0.104787 0.724498} H2531 9184 0.0 -1 1 {} H 0.0 {0.0755789 0.952944 0.139281} H2532 9185 0.0 -1 1 {} H 0.0 {0.698527 0.149646 0.687882} H2533 9186 0.0 -1 1 {} H 0.0 {0.906464 0.106059 0.885206} H2534 9187 0.0 -1 1 {} H 0.0 {0.650854 0.172678 0.908713} H2535 9188 0.0 -1 1 {} H 0.0 {0.567483 0.155316 0.221514} H2536 9189 0.0 -1 1 {} H 0.0 {0.809941 0.117731 0.841117} H2537 9190 0.0 -1 1 {} H 0.0 {0.812542 0.109416 0.0155945} H2538 9191 0.0 -1 1 {} H 0.0 {0.798961 0.117178 0.309186} H2539 9192 0.0 -1 1 {} H 0.0 {0.707216 0.0982647 0.585132} H2540 9193 0.0 -1 1 {} H 0.0 {0.678357 0.122787 0.029363} H2541 9194 0.0 -1 1 {} H 0.0 {0.750501 0.108904 0.506493} H2542 9195 0.0 -1 8 {} O 0.0 {0.843896 0.12326 0.77252} O4854 9196 0.0 -1 8 {} O 0.0 {0.485895 0.177236 0.70319} O4855 9197 0.0 -1 8 {} O 0.0 {0.807534 0.115591 0.87847} O4856 9198 0.0 -1 8 {} O 0.0 {0.827991 0.114112 0.883732} O4857 9199 0.0 -1 1 {} H 0.0 {0.670737 0.166232 0.0768859} H2543 9200 0.0 -1 1 {} H 0.0 {0.881043 0.107064 0.508588} H2544 9201 0.0 -1 1 {} H 0.0 {0.894523 0.0975181 0.0422082} H2545 9202 0.0 -1 1 {} H 0.0 {0.750948 0.144392 0.939441} H2546 9203 0.0 -1 1 {} H 0.0 {0.657776 0.930851 0.369808} H2547 9204 0.0 -1 1 {} H 0.0 {0.918044 0.105408 0.512975} H2548 9205 0.0 -1 1 {} H 0.0 {0.819912 0.12466 0.312823} H2549 9206 0.0 -1 1 {} H 0.0 {0.615709 0.132718 0.777316} H2550 9207 0.0 -1 8 {} O 0.0 {0.658115 0.122068 0.900154} O4858 9208 0.0 -1 8 {} O 0.0 {0.596471 0.219259 0.841897} O4859 9209 0.0 -1 8 {} O 0.0 {0.890604 0.0980176 0.0547198} O4860 9210 0.0 -1 8 {} O 0.0 {0.90874 0.103192 0.0581122} O4861 9211 0.0 -1 8 {} O 0.0 {0.599816 0.941077 0.498515} O4862 9212 0.0 -1 8 {} O 0.0 {0.908846 0.100311 0.683711} O4863 9213 0.0 -1 8 {} O 0.0 {0.822866 0.121292 0.28853} O4864 9214 0.0 -1 8 {} O 0.0 {0.617069 0.124068 0.787986} O4865 9215 0.0 -1 1 {} H 0.0 {0.628996 0.20661 0.591337} H2551 9216 0.0 -1 1 {} H 0.0 {0.57656 0.182122 0.647326} H2552 9217 0.0 -1 1 {} H 0.0 {0.892986 0.0972405 0.87089} H2553 9218 0.0 -1 1 {} H 0.0 {0.578565 0.926199 0.56178} H2554 9219 0.0 -1 1 {} H 0.0 {0.579887 0.121577 0.172036} H2555 9220 0.0 -1 1 {} H 0.0 {0.611723 0.879238 0.588103} H2556 9221 0.0 -1 1 {} H 0.0 {0.600737 0.12536 0.924901} H2557 9222 0.0 -1 1 {} H 0.0 {0.498392 0.872056 0.591972} H2558 9223 0.0 -1 1 {} H 0.0 {0.98673 0.0929524 0.184778} H2559 9224 0.0 -1 1 {} H 0.0 {0.606093 0.104237 0.199084} H2560 9225 0.0 -1 1 {} H 0.0 {0.643216 0.913694 0.811852} H2561 9226 0.0 -1 1 {} H 0.0 {0.638512 0.0905336 0.605376} H2562 9227 0.0 -1 1 {} H 0.0 {0.528918 0.153247 0.315046} H2563 9228 0.0 -1 1 {} H 0.0 {0.730171 0.111901 0.826296} H2564 9229 0.0 -1 1 {} H 0.0 {0.714874 0.136889 0.300431} H2565 9230 0.0 -1 1 {} H 0.0 {0.789871 0.113562 0.847327} H2566 9231 0.0 -1 8 {} O 0.0 {0.964712 0.0887609 0.299922} O4866 9232 0.0 -1 8 {} O 0.0 {0.507545 0.19553 0.47416} O4867 9233 0.0 -1 8 {} O 0.0 {0.618001 0.908363 0.540871} O4868 9234 0.0 -1 8 {} O 0.0 {0.816546 0.120003 0.975625} O4869 9235 0.0 -1 1 {} H 0.0 {0.628941 0.117172 0.821908} H2567 9236 0.0 -1 1 {} H 0.0 {0.563284 0.18753 0.889252} H2568 9237 0.0 -1 1 {} H 0.0 {0.551786 0.12551 0.0563861} H2569 9238 0.0 -1 1 {} H 0.0 {0.719551 0.149166 0.46344} H2570 9239 0.0 -1 1 {} H 0.0 {0.513567 0.756053 0.138227} H2571 9240 0.0 -1 1 {} H 0.0 {0.618469 0.938599 0.473762} H2572 9241 0.0 -1 1 {} H 0.0 {0.606784 0.170417 0.643732} H2573 9242 0.0 -1 1 {} H 0.0 {0.594677 0.166542 0.0793759} H2574 9243 0.0 -1 8 {} O 0.0 {0.630571 0.125713 0.804364} O4870 9244 0.0 -1 8 {} O 0.0 {0.547072 0.201809 0.717425} O4871 9245 0.0 -1 8 {} O 0.0 {0.606725 0.156343 0.198936} O4872 9246 0.0 -1 8 {} O 0.0 {0.844675 0.119019 0.295478} O4873 9247 0.0 -1 8 {} O 0.0 {0.766072 0.147331 0.0758003} O4874 9248 0.0 -1 8 {} O 0.0 {0.614381 0.882467 0.617711} O4875 9249 0.0 -1 8 {} O 0.0 {0.647543 0.102932 0.520105} O4876 9250 0.0 -1 8 {} O 0.0 {0.683037 0.110719 0.0512707} O4877 9251 0.0 -1 1 {} H 0.0 {0.582465 0.208281 0.849075} H2575 9252 0.0 -1 1 {} H 0.0 {0.527319 0.132431 0.275146} H2576 9253 0.0 -1 1 {} H 0.0 {0.520956 0.0832072 0.335978} H2577 9254 0.0 -1 1 {} H 0.0 {0.715391 0.119755 0.653569} H2578 9255 0.0 -1 1 {} H 0.0 {0.577958 0.182842 0.957923} H2579 9256 0.0 -1 1 {} H 0.0 {0.622987 0.178396 0.663109} H2580 9257 0.0 -1 1 {} H 0.0 {0.667222 0.117356 0.167127} H2581 9258 0.0 -1 1 {} H 0.0 {0.623061 0.855079 0.35093} H2582 9259 0.0 -1 1 {} H 0.0 {0.555786 0.0824675 0.663648} H2583 9260 0.0 -1 1 {} H 0.0 {0.687551 0.13432 0.495842} H2584 9261 0.0 -1 1 {} H 0.0 {0.604801 0.144161 0.870164} H2585 9262 0.0 -1 1 {} H 0.0 {0.802083 0.114552 0.988075} H2586 9263 0.0 -1 1 {} H 0.0 {0.85672 0.120814 0.285185} H2587 9264 0.0 -1 1 {} H 0.0 {0.318567 0.906394 0.00622371} H2588 9265 0.0 -1 1 {} H 0.0 {0.816454 0.12095 0.416748} H2589 9266 0.0 -1 1 {} H 0.0 {0.677452 0.891139 0.854371} H2590 9267 0.0 -1 8 {} O 0.0 {0.558114 0.0896895 0.647225} O4878 9268 0.0 -1 8 {} O 0.0 {0.46414 0.108733 0.765242} O4879 9269 0.0 -1 8 {} O 0.0 {0.51871 0.0891084 0.309607} O4880 9270 0.0 -1 8 {} O 0.0 {0.830901 0.10384 0.0110723} O4881 9271 0.0 -1 1 {} H 0.0 {0.635896 0.190797 0.534353} H2591 9272 0.0 -1 1 {} H 0.0 {0.697685 0.0947893 0.20611} H2592 9273 0.0 -1 1 {} H 0.0 {0.644244 0.158715 0.208131} H2593 9274 0.0 -1 1 {} H 0.0 {0.615308 0.130706 0.88522} H2594 9275 0.0 -1 1 {} H 0.0 {0.596741 0.120203 0.10347} H2595 9276 0.0 -1 1 {} H 0.0 {0.578642 0.142682 0.156086} H2596 9277 0.0 -1 1 {} H 0.0 {0.636553 0.120906 0.0498468} H2597 9278 0.0 -1 1 {} H 0.0 {0.629909 0.0975691 0.224553} H2598 9279 0.0 -1 8 {} O 0.0 {0.638319 0.184364 0.51041} O4882 9280 0.0 -1 8 {} O 0.0 {0.644309 0.168676 0.579605} O4883 9281 0.0 -1 8 {} O 0.0 {0.676821 0.142453 0.484586} O4884 9282 0.0 -1 8 {} O 0.0 {0.730733 0.126856 0.444448} O4885 9283 0.0 -1 8 {} O 0.0 {0.54935 0.111646 0.63311} O4886 9284 0.0 -1 8 {} O 0.0 {0.622146 0.175134 0.240124} O4887 9285 0.0 -1 8 {} O 0.0 {0.63853 0.126478 0.0210354} O4888 9286 0.0 -1 8 {} O 0.0 {0.807754 0.112546 0.223208} O4889 9287 0.0 -1 1 {} H 0.0 {0.811279 0.121881 0.38056} H2599 9288 0.0 -1 1 {} H 0.0 {0.547959 0.198884 0.641308} H2600 9289 0.0 -1 1 {} H 0.0 {0.509334 0.189419 0.443108} H2601 9290 0.0 -1 1 {} H 0.0 {0.413382 0.874543 0.588957} H2602 9291 0.0 -1 1 {} H 0.0 {0.650259 0.105351 0.776163} H2603 9292 0.0 -1 1 {} H 0.0 {0.754715 0.942812 0.0131445} H2604 9293 0.0 -1 1 {} H 0.0 {0.711863 0.125312 0.121258} H2605 9294 0.0 -1 1 {} H 0.0 {0.5548 0.843222 0.210164} H2606 9295 0.0 -1 1 {} H 0.0 {0.612422 0.889266 0.715377} H2607 9296 0.0 -1 1 {} H 0.0 {0.537727 0.148928 0.78921} H2608 9297 0.0 -1 1 {} H 0.0 {0.55722 0.136277 0.123605} H2609 9298 0.0 -1 1 {} H 0.0 {0.531869 0.0935634 0.187015} H2610 9299 0.0 -1 1 {} H 0.0 {0.603785 0.201717 0.659706} H2611 9300 0.0 -1 1 {} H 0.0 {0.536158 0.175878 0.896308} H2612 9301 0.0 -1 1 {} H 0.0 {0.552959 0.202792 0.227425} H2613 9302 0.0 -1 1 {} H 0.0 {0.459585 0.146426 0.510578} H2614 9303 0.0 -1 8 {} O 0.0 {0.604085 0.916472 0.218565} O4890 9304 0.0 -1 8 {} O 0.0 {0.551749 0.156923 0.751609} O4891 9305 0.0 -1 8 {} O 0.0 {0.586577 0.191556 0.133683} O4892 9306 0.0 -1 8 {} O 0.0 {0.454535 0.107645 0.671991} O4893 9307 0.0 -1 1 {} H 0.0 {0.693478 0.130218 0.861514} H2615 9308 0.0 -1 1 {} H 0.0 {0.578912 0.226001 0.655301} H2616 9309 0.0 -1 1 {} H 0.0 {0.589617 0.906402 0.812993} H2617 9310 0.0 -1 1 {} H 0.0 {0.548925 0.830766 0.232485} H2618 9311 0.0 -1 1 {} H 0.0 {0.656871 0.138141 0.934361} H2619 9312 0.0 -1 1 {} H 0.0 {0.675854 0.950228 0.127124} H2620 9313 0.0 -1 1 {} H 0.0 {0.769757 0.170847 0.177917} H2621 9314 0.0 -1 1 {} H 0.0 {0.550772 0.130886 0.198683} H2622 9315 0.0 -1 8 {} O 0.0 {0.678256 0.121469 0.877478} O4894 9316 0.0 -1 8 {} O 0.0 {0.580261 0.220072 0.621165} O4895 9317 0.0 -1 8 {} O 0.0 {0.57003 0.880547 0.189591} O4896 9318 0.0 -1 8 {} O 0.0 {0.630616 0.197586 0.579156} O4897 9319 0.0 -1 8 {} O 0.0 {0.640427 0.937876 0.190414} O4898 9320 0.0 -1 8 {} O 0.0 {0.505807 0.867489 0.792132} O4899 9321 0.0 -1 8 {} O 0.0 {0.637128 0.0958295 0.643995} O4900 9322 0.0 -1 8 {} O 0.0 {0.662154 0.13815 0.349886} O4901 9323 0.0 -1 1 {} H 0.0 {0.499683 0.152785 0.356608} H2623 9324 0.0 -1 1 {} H 0.0 {0.698328 0.153223 0.615147} H2624 9325 0.0 -1 1 {} H 0.0 {0.650173 0.884235 0.710052} H2625 9326 0.0 -1 1 {} H 0.0 {0.594586 0.842841 0.977408} H2626 9327 0.0 -1 1 {} H 0.0 {0.585737 0.0967093 0.213825} H2627 9328 0.0 -1 1 {} H 0.0 {0.350379 0.893031 0.0477234} H2628 9329 0.0 -1 1 {} H 0.0 {0.543657 0.80812 0.179664} H2629 9330 0.0 -1 1 {} H 0.0 {0.618804 0.833827 0.639972} H2630 9331 0.0 -1 1 {} H 0.0 {0.611198 0.188651 0.626051} H2631 9332 0.0 -1 1 {} H 0.0 {0.496215 0.162104 0.760443} H2632 9333 0.0 -1 1 {} H 0.0 {0.511149 0.840171 0.172453} H2633 9334 0.0 -1 1 {} H 0.0 {0.539571 0.102673 0.965752} H2634 9335 0.0 -1 1 {} H 0.0 {0.449045 0.939335 0.85251} H2635 9336 0.0 -1 1 {} H 0.0 {0.528074 0.838434 0.931978} H2636 9337 0.0 -1 1 {} H 0.0 {0.492153 0.135053 0.208251} H2637 9338 0.0 -1 1 {} H 0.0 {0.587011 0.134802 0.333073} H2638 9339 0.0 -1 8 {} O 0.0 {0.611655 0.180497 0.600856} O4902 9340 0.0 -1 8 {} O 0.0 {0.416357 0.105937 0.323538} O4903 9341 0.0 -1 8 {} O 0.0 {0.453886 0.833754 0.442612} O4904 9342 0.0 -1 8 {} O 0.0 {0.596921 0.172795 0.73829} O4905 9343 0.0 -1 1 {} H 0.0 {0.662068 0.100791 0.527398} H2639 9344 0.0 -1 1 {} H 0.0 {0.617612 0.109866 0.585171} H2640 9345 0.0 -1 1 {} H 0.0 {0.50835 0.883184 0.66058} H2641 9346 0.0 -1 1 {} H 0.0 {0.65659 0.102678 0.382756} H2642 9347 0.0 -1 1 {} H 0.0 {0.665983 0.930147 0.968325} H2643 9348 0.0 -1 1 {} H 0.0 {0.358464 0.929692 0.656693} H2644 9349 0.0 -1 1 {} H 0.0 {0.591279 0.1498 0.0414653} H2645 9350 0.0 -1 1 {} H 0.0 {0.592232 0.141536 0.515102} H2646 9351 0.0 -1 8 {} O 0.0 {0.575439 0.138098 0.138614} O4906 9352 0.0 -1 8 {} O 0.0 {0.634133 0.138157 0.680483} O4907 9353 0.0 -1 8 {} O 0.0 {0.500516 0.776392 0.086153} O4908 9354 0.0 -1 8 {} O 0.0 {0.653156 0.107393 0.380354} O4909 9355 0.0 -1 8 {} O 0.0 {0.76148 0.941934 0.36203} O4910 9356 0.0 -1 8 {} O 0.0 {0.5236 0.903975 0.325054} O4911 9357 0.0 -1 8 {} O 0.0 {0.519247 0.17302 0.0275722} O4912 9358 0.0 -1 8 {} O 0.0 {0.51311 0.129275 0.451483} O4913 9359 0.0 -1 1 {} H 0.0 {0.52116 0.121591 0.961521} H2647 9360 0.0 -1 1 {} H 0.0 {0.572239 0.192013 0.567017} H2648 9361 0.0 -1 1 {} H 0.0 {0.575865 0.175274 0.897602} H2649 9362 0.0 -1 1 {} H 0.0 {0.526039 0.777802 0.159436} H2650 9363 0.0 -1 1 {} H 0.0 {0.53961 0.0909357 0.880692} H2651 9364 0.0 -1 1 {} H 0.0 {0.594276 0.18995 0.599266} H2652 9365 0.0 -1 1 {} H 0.0 {0.595919 0.224338 0.349089} H2653 9366 0.0 -1 1 {} H 0.0 {0.712094 0.941749 0.804078} H2654 9367 0.0 -1 1 {} H 0.0 {0.532626 0.157304 0.805775} H2655 9368 0.0 -1 1 {} H 0.0 {0.472648 0.185965 0.379956} H2656 9369 0.0 -1 1 {} H 0.0 {0.649598 0.929805 0.110004} H2657 9370 0.0 -1 1 {} H 0.0 {0.624175 0.879514 0.747919} H2658 9371 0.0 -1 1 {} H 0.0 {0.732416 0.907675 0.156066} H2659 9372 0.0 -1 1 {} H 0.0 {0.5582 0.821806 0.752056} H2660 9373 0.0 -1 1 {} H 0.0 {0.576354 0.103884 0.0601478} H2661 9374 0.0 -1 1 {} H 0.0 {0.551274 0.785801 0.757181} H2662 9375 0.0 -1 8 {} O 0.0 {0.498948 0.0985709 0.993055} O4914 9376 0.0 -1 8 {} O 0.0 {0.471515 0.12262 0.00548419} O4915 9377 0.0 -1 8 {} O 0.0 {0.649737 0.929073 0.154557} O4916 9378 0.0 -1 8 {} O 0.0 {0.730519 0.908965 0.116488} O4917 9379 0.0 -1 1 {} H 0.0 {0.568261 0.221938 0.428753} H2663 9380 0.0 -1 1 {} H 0.0 {0.415607 0.0984955 0.354589} H2664 9381 0.0 -1 1 {} H 0.0 {0.675336 0.928911 0.645379} H2665 9382 0.0 -1 1 {} H 0.0 {0.416373 0.103158 0.0326333} H2666 9383 0.0 -1 1 {} H 0.0 {0.500273 0.906847 0.952357} H2667 9384 0.0 -1 1 {} H 0.0 {0.600579 0.857871 0.095228} H2668 9385 0.0 -1 1 {} H 0.0 {0.681015 0.922521 0.638117} H2669 9386 0.0 -1 1 {} H 0.0 {0.547021 0.184864 0.567684} H2670 9387 0.0 -1 8 {} O 0.0 {0.561634 0.163004 0.817414} O4918 9388 0.0 -1 8 {} O 0.0 {0.638839 0.177532 0.0892325} O4919 9389 0.0 -1 8 {} O 0.0 {0.677329 0.920871 0.632967} O4920 9390 0.0 -1 8 {} O 0.0 {0.419237 0.107949 0.0118799} O4921 9391 0.0 -1 8 {} O 0.0 {0.643245 0.898374 0.118404} O4922 9392 0.0 -1 8 {} O 0.0 {0.690282 0.128304 0.4831} O4923 9393 0.0 -1 8 {} O 0.0 {0.574907 0.831832 0.0151514} O4924 9394 0.0 -1 8 {} O 0.0 {0.601723 0.171752 0.0714222} O4925 9395 0.0 -1 1 {} H 0.0 {0.504463 0.0902576 0.0213713} H2671 9396 0.0 -1 1 {} H 0.0 {0.622567 0.129482 0.205282} H2672 9397 0.0 -1 1 {} H 0.0 {0.437795 0.931075 0.731083} H2673 9398 0.0 -1 1 {} H 0.0 {0.581974 0.192795 0.1906} H2674 9399 0.0 -1 8 {} O 0.0 {0.450034 0.871005 0.349815} O4926 9400 0.0 -1 8 {} O 0.0 {0.535764 0.110748 0.451806} O4927 9401 0.0 -1 1 {} H 0.0 {0.541138 0.121777 0.0738005} H2675 9402 0.0 -1 1 {} H 0.0 {0.295003 0.933164 0.0811736} H2676 9403 0.0 -1 1 {} H 0.0 {0.592599 0.218192 0.854532} H2677 9404 0.0 -1 8 {} O 0.0 {0.54324 0.128048 0.0477019} O4928 9405 0.0 -1 8 {} O 0.0 {0.368822 0.89174 0.416381} O4929 9406 0.0 -1 8 {} O 0.0 {0.595665 0.219828 0.308741} O4930 9407 0.0 -1 1 {} H 0.0 {0.61354 0.884893 0.0718334} H2678 9408 0.0 -1 1 {} H 0.0 {0.558449 0.858216 0.514461} H2679 9409 0.0 -1 1 {} H 0.0 {0.790928 0.107763 0.313954} H2680 9410 0.0 -1 1 {} H 0.0 {0.872758 0.0967233 0.312456} H2681 9411 0.0 -1 8 {} O 0.0 {0.650378 0.163837 0.893247} O4931 9412 0.0 -1 1 {} H 0.0 {0.751661 0.116452 0.230875} H2682 9413 0.0 -1 1 {} H 0.0 {0.0134503 0.957185 0.744219} H2683 9414 0.0 -1 1 {} H 0.0 {0.83562 0.0979827 0.241426} H2684 9415 0.0 -1 8 {} O 0.0 {0.276748 0.937092 0.384909} O4932 9416 0.0 -1 8 {} O 0.0 {0.612879 0.839902 0.243322} O4933 9417 0.0 -1 8 {} O 0.0 {0.889615 0.0969486 0.675968} O4934 9418 0.0 -1 1 {} H 0.0 {0.812786 0.961847 0.065127} H2685 9419 0.0 -1 1 {} H 0.0 {0.490027 0.920802 0.229993} H2686 9420 0.0 -1 1 {} H 0.0 {0.244024 0.948776 0.715514} H2687 9421 0.0 -1 1 {} H 0.0 {0.587283 0.83051 0.0778523} H2688 9422 0.0 -1 1 {} H 0.0 {0.596426 0.936071 0.488604} H2689 9423 0.0 -1 1 {} H 0.0 {0.601188 0.90292 0.0631907} H2690 9424 0.0 -1 1 {} H 0.0 {0.927369 0.123039 0.914549} H2691 9425 0.0 -1 1 {} H 0.0 {0.628518 0.931074 0.640424} H2692 9426 0.0 -1 1 {} H 0.0 {0.74885 0.111936 0.852801} H2693 9427 0.0 -1 1 {} H 0.0 {0.613542 0.158141 0.255365} H2694 9428 0.0 -1 1 {} H 0.0 {0.619385 0.81961 0.625054} H2695 9429 0.0 -1 1 {} H 0.0 {0.548833 0.893983 0.82466} H2696 9430 0.0 -1 1 {} H 0.0 {0.550312 0.856934 0.527344} H2697 9431 0.0 -1 1 {} H 0.0 {0.556162 0.83032 0.949277} H2698 9432 0.0 -1 1 {} H 0.0 {0.474068 0.892041 0.788411} H2699 9433 0.0 -1 1 {} H 0.0 {0.424699 0.868832 0.591765} H2700 9434 0.0 -1 8 {} O 0.0 {0.729779 0.0969856 0.0135316} O4935 9435 0.0 -1 8 {} O 0.0 {0.471719 0.899863 0.785734} O4936 9436 0.0 -1 8 {} O 0.0 {0.620807 0.828449 0.615958} O4937 9437 0.0 -1 8 {} O 0.0 {0.551773 0.890796 0.796434} O4938 9438 0.0 -1 1 {} H 0.0 {0.767425 0.110112 0.0163026} H2701 9439 0.0 -1 1 {} H 0.0 {0.494723 0.932077 0.237682} H2702 9440 0.0 -1 1 {} H 0.0 {0.48675 0.793204 0.701036} H2703 9441 0.0 -1 1 {} H 0.0 {0.588142 0.896166 0.169245} H2704 9442 0.0 -1 1 {} H 0.0 {0.518642 0.916495 0.454724} H2705 9443 0.0 -1 1 {} H 0.0 {0.60704 0.886868 0.0197749} H2706 9444 0.0 -1 1 {} H 0.0 {0.61379 0.890868 0.137447} H2707 9445 0.0 -1 1 {} H 0.0 {0.908869 0.103948 0.955688} H2708 9446 0.0 -1 8 {} O 0.0 {0.889449 0.10255 0.356341} O4939 9447 0.0 -1 8 {} O 0.0 {0.493149 0.92233 0.256791} O4940 9448 0.0 -1 8 {} O 0.0 {0.496669 0.937135 0.847888} O4941 9449 0.0 -1 8 {} O 0.0 {0.767898 0.929636 0.241897} O4942 9450 0.0 -1 8 {} O 0.0 {0.0176468 0.960953 0.791393} O4943 9451 0.0 -1 8 {} O 0.0 {0.576497 0.91271 0.592273} O4944 9452 0.0 -1 8 {} O 0.0 {0.614144 0.882182 0.115245} O4945 9453 0.0 -1 8 {} O 0.0 {0.909663 0.107582 0.912785} O4946 9454 0.0 -1 1 {} H 0.0 {0.57546 0.91539 0.637998} H2709 9455 0.0 -1 1 {} H 0.0 {0.589773 0.828003 0.354447} H2710 9456 0.0 -1 1 {} H 0.0 {0.36985 0.898341 0.556514} H2711 9457 0.0 -1 1 {} H 0.0 {0.711003 0.937456 0.49637} H2712 9458 0.0 -1 1 {} H 0.0 {0.762161 0.147581 0.0829964} H2713 9459 0.0 -1 1 {} H 0.0 {0.419325 0.844481 0.761511} H2714 9460 0.0 -1 1 {} H 0.0 {0.547055 0.82055 0.334315} H2715 9461 0.0 -1 1 {} H 0.0 {0.562134 0.93632 0.501217} H2716 9462 0.0 -1 1 {} H 0.0 {0.555969 0.908765 0.0177823} H2717 9463 0.0 -1 1 {} H 0.0 {0.683116 0.898607 0.192995} H2718 9464 0.0 -1 1 {} H 0.0 {0.640138 0.902812 0.562571} H2719 9465 0.0 -1 1 {} H 0.0 {0.487991 0.880003 0.26035} H2720 9466 0.0 -1 1 {} H 0.0 {0.467185 0.882848 0.238846} H2721 9467 0.0 -1 1 {} H 0.0 {0.720401 0.939244 0.541181} H2722 9468 0.0 -1 1 {} H 0.0 {0.697243 0.1402 0.792282} H2723 9469 0.0 -1 1 {} H 0.0 {0.478675 0.93172 0.0391477} H2724 9470 0.0 -1 8 {} O 0.0 {0.427717 0.864462 0.577953} O4947 9471 0.0 -1 8 {} O 0.0 {0.679444 0.896121 0.201058} O4948 9472 0.0 -1 8 {} O 0.0 {0.698073 0.948551 0.826531} O4949 9473 0.0 -1 8 {} O 0.0 {0.674716 0.89501 0.876685} O4950 9474 0.0 -1 1 {} H 0.0 {0.673324 0.925763 0.251752} H2725 9475 0.0 -1 1 {} H 0.0 {0.629051 0.930787 0.826168} H2726 9476 0.0 -1 1 {} H 0.0 {0.56833 0.928431 0.769855} H2727 9477 0.0 -1 1 {} H 0.0 {0.546147 0.93178 0.726642} H2728 9478 0.0 -1 1 {} H 0.0 {0.702216 0.936158 0.175331} H2729 9479 0.0 -1 1 {} H 0.0 {0.420499 0.857264 0.799528} H2730 9480 0.0 -1 1 {} H 0.0 {0.302815 0.926701 0.49148} H2731 9481 0.0 -1 1 {} H 0.0 {0.595945 0.187915 0.697607} H2732 9482 0.0 -1 8 {} O 0.0 {0.579818 0.933642 0.531129} O4951 9483 0.0 -1 8 {} O 0.0 {0.727143 0.146142 0.536336} O4952 9484 0.0 -1 8 {} O 0.0 {0.559308 0.783838 0.293512} O4953 9485 0.0 -1 8 {} O 0.0 {0.536782 0.938585 0.839087} O4954 9486 0.0 -1 8 {} O 0.0 {0.699539 0.942886 0.166044} O4955 9487 0.0 -1 8 {} O 0.0 {0.421897 0.852074 0.765354} O4956 9488 0.0 -1 8 {} O 0.0 {0.918081 0.110268 0.302393} O4957 9489 0.0 -1 8 {} O 0.0 {0.642956 0.188331 0.398579} O4958 9490 0.0 -1 1 {} H 0.0 {0.590163 0.204748 0.530804} H2733 9491 0.0 -1 1 {} H 0.0 {0.563693 0.900578 0.884134} H2734 9492 0.0 -1 1 {} H 0.0 {0.554804 0.811324 0.786368} H2735 9493 0.0 -1 1 {} H 0.0 {0.439533 0.932887 0.0391907} H2736 9494 0.0 -1 1 {} H 0.0 {0.562386 0.184236 0.699711} H2737 9495 0.0 -1 1 {} H 0.0 {0.607689 0.810921 0.185054} H2738 9496 0.0 -1 1 {} H 0.0 {0.553484 0.866216 0.991682} H2739 9497 0.0 -1 1 {} H 0.0 {0.542356 0.936138 0.497614} H2740 9498 0.0 -1 1 {} H 0.0 {0.475104 0.929471 0.0962848} H2741 9499 0.0 -1 1 {} H 0.0 {0.567568 0.0961177 0.290754} H2742 9500 0.0 -1 1 {} H 0.0 {0.470934 0.941301 0.0254405} H2743 9501 0.0 -1 1 {} H 0.0 {0.704059 0.914845 0.214384} H2744 9502 0.0 -1 1 {} H 0.0 {0.621561 0.926492 0.156195} H2745 9503 0.0 -1 1 {} H 0.0 {0.495179 0.858828 0.0744063} H2746 9504 0.0 -1 1 {} H 0.0 {0.571926 0.132326 0.991469} H2747 9505 0.0 -1 1 {} H 0.0 {0.590293 0.922532 0.913433} H2748 9506 0.0 -1 8 {} O 0.0 {0.475263 0.928179 0.0488435} O4959 9507 0.0 -1 8 {} O 0.0 {0.575712 0.133184 0.9992} O4960 9508 0.0 -1 8 {} O 0.0 {0.477095 0.938716 0.193337} O4961 9509 0.0 -1 8 {} O 0.0 {0.608052 0.853859 0.542771} O4962 9510 0.0 -1 1 {} H 0.0 {0.506442 0.796615 0.46386} H2749 9511 0.0 -1 1 {} H 0.0 {0.691298 0.122082 0.398062} H2750 9512 0.0 -1 1 {} H 0.0 {0.472318 0.845157 0.448826} H2751 9513 0.0 -1 1 {} H 0.0 {0.279723 0.938891 0.182842} H2752 9514 0.0 -1 1 {} H 0.0 {0.324084 0.938572 0.813021} H2753 9515 0.0 -1 1 {} H 0.0 {0.329782 0.936378 0.0113942} H2754 9516 0.0 -1 1 {} H 0.0 {0.535923 0.824875 0.441033} H2755 9517 0.0 -1 1 {} H 0.0 {0.537768 0.12567 0.6894} H2756 9518 0.0 -1 8 {} O 0.0 {0.726821 0.93191 0.79933} O4963 9519 0.0 -1 8 {} O 0.0 {0.622961 0.852684 0.305857} O4964 9520 0.0 -1 8 {} O 0.0 {0.472537 0.847941 0.494925} O4965 9521 0.0 -1 8 {} O 0.0 {0.275789 0.942537 0.188465} O4966 9522 0.0 -1 8 {} O 0.0 {0.635778 0.945317 0.503783} O4967 9523 0.0 -1 8 {} O 0.0 {0.45264 0.916278 0.337516} O4968 9524 0.0 -1 8 {} O 0.0 {0.537604 0.825043 0.484694} O4969 9525 0.0 -1 8 {} O 0.0 {0.674258 0.170175 0.0885267} O4970 9526 0.0 -1 1 {} H 0.0 {0.502392 0.871493 0.811299} H2757 9527 0.0 -1 1 {} H 0.0 {0.55809 0.831137 0.207812} H2758 9528 0.0 -1 1 {} H 0.0 {0.287378 0.936673 0.139192} H2759 9529 0.0 -1 1 {} H 0.0 {0.519155 0.906104 0.692297} H2760 9530 0.0 -1 1 {} H 0.0 {0.40996 0.93445 0.702191} H2761 9531 0.0 -1 1 {} H 0.0 {0.384483 0.866439 0.6072} H2762 9532 0.0 -1 1 {} H 0.0 {0.489136 0.836285 0.543768} H2763 9533 0.0 -1 1 {} H 0.0 {0.572654 0.0948403 0.157643} H2764 9534 0.0 -1 1 {} H 0.0 {0.585542 0.92307 0.877087} H2765 9535 0.0 -1 1 {} H 0.0 {0.497065 0.922238 0.440626} H2766 9536 0.0 -1 1 {} H 0.0 {0.578156 0.928827 0.101156} H2767 9537 0.0 -1 1 {} H 0.0 {0.653169 0.882115 0.0409006} H2768 9538 0.0 -1 1 {} H 0.0 {0.655202 0.893658 0.0735232} H2769 9539 0.0 -1 1 {} H 0.0 {0.580117 0.933783 0.0380763} H2770 9540 0.0 -1 1 {} H 0.0 {0.41642 0.886901 0.619624} H2771 9541 0.0 -1 1 {} H 0.0 {0.377546 0.913591 0.628192} H2772 9542 0.0 -1 8 {} O 0.0 {0.588771 0.917961 0.878965} O4971 9543 0.0 -1 8 {} O 0.0 {0.368384 0.909615 0.581623} O4972 9544 0.0 -1 8 {} O 0.0 {0.577544 0.927538 0.0557068} O4973 9545 0.0 -1 8 {} O 0.0 {0.655844 0.883975 0.0701795} O4974 9546 0.0 -1 1 {} H 0.0 {0.598289 0.138463 0.579366} H2773 9547 0.0 -1 1 {} H 0.0 {0.64386 0.910122 0.615564} H2774 9548 0.0 -1 1 {} H 0.0 {0.775632 0.108916 0.595662} H2775 9549 0.0 -1 1 {} H 0.0 {0.468586 0.860456 0.218004} H2776 9550 0.0 -1 1 {} H 0.0 {0.682732 0.942496 0.50188} H2777 9551 0.0 -1 1 {} H 0.0 {0.501559 0.936478 0.0321235} H2778 9552 0.0 -1 1 {} H 0.0 {0.552858 0.852762 0.952723} H2779 9553 0.0 -1 1 {} H 0.0 {0.418421 0.867996 0.165433} H2780 9554 0.0 -1 8 {} O 0.0 {0.598509 0.138346 0.627948} O4975 9555 0.0 -1 8 {} O 0.0 {0.554613 0.834477 0.190683} O4976 9556 0.0 -1 8 {} O 0.0 {0.459762 0.2092 0.96816} O4977 9557 0.0 -1 8 {} O 0.0 {0.366744 0.887205 0.772505} O4978 9558 0.0 -1 8 {} O 0.0 {0.679 0.946063 0.502281} O4979 9559 0.0 -1 8 {} O 0.0 {0.387461 0.869887 0.636423} O4980 9560 0.0 -1 8 {} O 0.0 {0.553551 0.862005 0.944993} O4981 9561 0.0 -1 8 {} O 0.0 {0.565081 0.785731 0.994519} O4982 9562 0.0 -1 1 {} H 0.0 {0.621827 0.877456 0.819106} H2781 9563 0.0 -1 1 {} H 0.0 {0.777727 0.927033 0.12458} H2782 9564 0.0 -1 1 {} H 0.0 {0.426827 0.149042 0.241513} H2783 9565 0.0 -1 1 {} H 0.0 {0.336233 0.91451 0.317071} H2784 9566 0.0 -1 1 {} H 0.0 {0.577855 0.927665 0.362912} H2785 9567 0.0 -1 1 {} H 0.0 {0.44261 0.944433 0.160157} H2786 9568 0.0 -1 1 {} H 0.0 {0.365376 0.912641 0.148027} H2787 9569 0.0 -1 1 {} H 0.0 {0.535532 0.818029 0.105035} H2788 9570 0.0 -1 1 {} H 0.0 {0.65968 0.125513 0.551251} H2789 9571 0.0 -1 1 {} H 0.0 {0.650574 0.164935 0.312889} H2790 9572 0.0 -1 1 {} H 0.0 {0.697013 0.928909 0.0206345} H2791 9573 0.0 -1 1 {} H 0.0 {0.716496 0.916008 0.808393} H2792 9574 0.0 -1 1 {} H 0.0 {0.544067 0.902198 0.550059} H2793 9575 0.0 -1 1 {} H 0.0 {0.701166 0.938454 0.989437} H2794 9576 0.0 -1 1 {} H 0.0 {0.583141 0.208735 0.356319} H2795 9577 0.0 -1 1 {} H 0.0 {0.561232 0.812517 0.375084} H2796 9578 0.0 -1 8 {} O 0.0 {0.657399 0.133163 0.550236} O4983 9579 0.0 -1 8 {} O 0.0 {0.650098 0.159088 0.274241} O4984 9580 0.0 -1 8 {} O 0.0 {0.69934 0.929741 0.984923} O4985 9581 0.0 -1 8 {} O 0.0 {0.634887 0.877057 0.826561} O4986 9582 0.0 -1 1 {} H 0.0 {0.766936 0.123734 0.36559} H2797 9583 0.0 -1 1 {} H 0.0 {0.774663 0.927932 0.187646} H2798 9584 0.0 -1 1 {} H 0.0 {0.440351 0.927884 0.350406} H2799 9585 0.0 -1 1 {} H 0.0 {0.426451 0.906716 0.138121} H2800 9586 0.0 -1 1 {} H 0.0 {0.541707 0.821785 0.212247} H2801 9587 0.0 -1 1 {} H 0.0 {0.551086 0.807631 0.125236} H2802 9588 0.0 -1 1 {} H 0.0 {0.527194 0.895539 0.841445} H2803 9589 0.0 -1 1 {} H 0.0 {0.51519 0.822372 0.731683} H2804 9590 0.0 -1 8 {} O 0.0 {0.765431 0.131728 0.387739} O4987 9591 0.0 -1 8 {} O 0.0 {0.778168 0.929641 0.170067} O4988 9592 0.0 -1 8 {} O 0.0 {0.437601 0.922318 0.331863} O4989 9593 0.0 -1 8 {} O 0.0 {0.457394 0.939365 0.877924} O4990 9594 0.0 -1 8 {} O 0.0 {0.62506 0.871906 0.66951} O4991 9595 0.0 -1 8 {} O 0.0 {0.43979 0.942328 0.187773} O4992 9596 0.0 -1 8 {} O 0.0 {0.489172 0.844604 0.566895} O4993 9597 0.0 -1 8 {} O 0.0 {0.589892 0.87014 0.285149} O4994 9598 0.0 -1 1 {} H 0.0 {0.631276 0.88052 0.827247} H2805 9599 0.0 -1 1 {} H 0.0 {0.616512 0.828151 0.868167} H2806 9600 0.0 -1 1 {} H 0.0 {0.658434 0.88395 0.491171} H2807 9601 0.0 -1 1 {} H 0.0 {0.294259 0.925234 0.407632} H2808 9602 0.0 -1 1 {} H 0.0 {0.629936 0.883545 0.0378773} H2809 9603 0.0 -1 1 {} H 0.0 {0.560872 0.877348 0.0661177} H2810 9604 0.0 -1 1 {} H 0.0 {0.600349 0.902382 0.332943} H2811 9605 0.0 -1 1 {} H 0.0 {0.490625 0.935298 0.0470307} H2812 9606 0.0 -1 1 {} H 0.0 {0.560878 0.813967 0.303994} H2813 9607 0.0 -1 1 {} H 0.0 {0.602223 0.880547 0.519237} H2814 9608 0.0 -1 1 {} H 0.0 {0.367971 0.882927 0.396826} H2815 9609 0.0 -1 1 {} H 0.0 {0.37928 0.905901 0.220292} H2816 9610 0.0 -1 1 {} H 0.0 {0.380456 0.908514 0.295099} H2817 9611 0.0 -1 1 {} H 0.0 {0.562432 0.818777 0.480064} H2818 9612 0.0 -1 1 {} H 0.0 {0.374428 0.88659 0.972763} H2819 9613 0.0 -1 1 {} H 0.0 {0.564788 0.189902 0.296103} H2820 9614 0.0 -1 8 {} O 0.0 {0.558925 0.810358 0.337663} O4995 9615 0.0 -1 8 {} O 0.0 {0.692325 0.896243 0.565114} O4996 9616 0.0 -1 8 {} O 0.0 {0.564692 0.813355 0.448299} O4997 9617 0.0 -1 8 {} O 0.0 {0.380996 0.91226 0.252207} O4998 9618 0.0 -1 1 {} H 0.0 {0.658593 0.88013 0.165238} H2821 9619 0.0 -1 1 {} H 0.0 {0.598027 0.831457 0.0117397} H2822 9620 0.0 -1 1 {} H 0.0 {0.523561 0.867779 0.506863} H2823 9621 0.0 -1 1 {} H 0.0 {0.261013 0.896995 0.573165} H2824 9622 0.0 -1 1 {} H 0.0 {0.413703 0.828685 0.825788} H2825 9623 0.0 -1 1 {} H 0.0 {0.368281 0.934917 0.764183} H2826 9624 0.0 -1 1 {} H 0.0 {0.474092 0.877033 0.628294} H2827 9625 0.0 -1 1 {} H 0.0 {0.589572 0.843664 0.174447} H2828 9626 0.0 -1 8 {} O 0.0 {0.65947 0.878652 0.210696} O4999 9627 0.0 -1 8 {} O 0.0 {0.615777 0.830378 0.914447} O5000 9628 0.0 -1 8 {} O 0.0 {0.470986 0.879516 0.600163} O5001 9629 0.0 -1 8 {} O 0.0 {0.261979 0.905564 0.554782} O5002 9630 0.0 -1 8 {} O 0.0 {0.384348 0.907311 0.96647} O5003 9631 0.0 -1 8 {} O 0.0 {0.368433 0.928996 0.801202} O5004 9632 0.0 -1 8 {} O 0.0 {0.663009 0.923745 0.959303} O5005 9633 0.0 -1 8 {} O 0.0 {0.591247 0.840331 0.134096} O5006 9634 0.0 -1 1 {} H 0.0 {0.505503 0.88623 0.230211} H2829 9635 0.0 -1 1 {} H 0.0 {0.472312 0.888307 0.582414} H2830 9636 0.0 -1 1 {} H 0.0 {0.609563 0.0974021 0.541029} H2831 9637 0.0 -1 1 {} H 0.0 {0.736546 0.921495 0.923981} H2832 9638 0.0 -1 8 {} O 0.0 {0.527262 0.787101 0.155455} O5007 9639 0.0 -1 8 {} O 0.0 {0.68477 0.929941 0.793946} O5008 9640 0.0 -1 1 {} H 0.0 {0.679754 0.942033 0.815006} H2833 9641 0.0 -1 1 {} H 0.0 {0.675563 0.918079 0.55155} H2834 9642 0.0 -1 1 {} H 0.0 {0.574773 0.877931 0.770762} H2835 9643 0.0 -1 8 {} O 0.0 {0.676729 0.948303 0.820187} O5009 9644 0.0 -1 8 {} O 0.0 {0.418806 0.905051 0.647317} O5010 9645 0.0 -1 8 {} O 0.0 {0.492374 0.90074 0.539406} O5011 9646 0.0 -1 1 {} H 0.0 {0.634112 0.923722 0.430726} H2836 9647 0.0 -1 1 {} H 0.0 {0.574718 0.906665 0.411672} H2837 9648 0.0 -1 1 {} H 0.0 {0.332469 0.935816 0.504015} H2838 9649 0.0 -1 8 {} O 0.0 {0.577684 0.932397 0.861784} O5012 9650 0.0 -1 1 {} H 0.0 {0.518234 0.842074 0.867333} H2839 9651 0.0 -1 1 {} H 0.0 {0.765081 0.93068 0.623971} H2840 9652 0.0 -1 8 {} O 0.0 {0.548732 0.827835 0.674414} O5013 9653 0.0 -1 1 {} H 0.0 {0.621168 0.147649 0.0634491} H2841 9654 0.0 -1 1 {} H 0.0 {0.615261 0.890221 0.592538} H2842 9655 0.0 -1 1 {} H 0.0 {0.618185 0.908765 0.365347} H2843 9656 0.0 -1 1 {} H 0.0 {0.0222609 0.95847 0.742413} H2844 9657 0.0 -1 1 {} H 0.0 {0.358595 0.900239 0.471873} H2845 9658 0.0 -1 1 {} H 0.0 {0.670964 0.922517 0.845144} H2846 9659 0.0 -1 1 {} H 0.0 {0.548917 0.789748 0.983614} H2847 9660 0.0 -1 1 {} H 0.0 {0.541348 0.903932 0.883497} H2848 9661 0.0 -1 1 {} H 0.0 {0.481601 0.91247 0.504154} H2849 9662 0.0 -1 1 {} H 0.0 {0.403756 0.843729 0.551676} H2850 9663 0.0 -1 1 {} H 0.0 {0.589225 0.934007 0.0588074} H2851 9664 0.0 -1 8 {} O 0.0 {0.546677 0.785913 0.0176574} O5014 9665 0.0 -1 8 {} O 0.0 {0.476276 0.871372 0.77677} O5015 9666 0.0 -1 8 {} O 0.0 {0.363666 0.874857 0.0055761} O5016 9667 0.0 -1 1 {} H 0.0 {0.414236 0.931202 0.0452976} H2852 9668 0.0 -1 1 {} H 0.0 {0.456125 0.862354 0.36544} H2853 9669 0.0 -1 1 {} H 0.0 {0.577234 0.896359 0.362274} H2854 9670 0.0 -1 1 {} H 0.0 {0.399085 0.942343 0.726174} H2855 9671 0.0 -1 1 {} H 0.0 {0.436775 0.905163 0.51264} H2856 9672 0.0 -1 1 {} H 0.0 {0.641304 0.936907 0.828903} H2857 9673 0.0 -1 8 {} O 0.0 {0.760887 0.947003 0.509739} O5017 9674 0.0 -1 8 {} O 0.0 {0.750309 0.115297 0.188729} O5018 9675 0.0 -1 8 {} O 0.0 {0.355054 0.898281 0.458755} O5019 9676 0.0 -1 8 {} O 0.0 {0.589203 0.922559 0.520842} O5020 9677 0.0 -1 8 {} O 0.0 {0.637616 0.939786 0.837591} O5021 9678 0.0 -1 1 {} H 0.0 {0.592361 0.932449 0.691638} H2858 9679 0.0 -1 1 {} H 0.0 {0.34055 0.953511 0.795594} H2859 9680 0.0 -1 1 {} H 0.0 {0.644391 0.93365 0.667876} H2860 9681 0.0 -1 1 {} H 0.0 {0.592326 0.894767 0.489102} H2861 9682 0.0 -1 1 {} H 0.0 {0.469891 0.933598 0.343967} H2862 9683 0.0 -1 1 {} H 0.0 {0.377149 0.87498 0.0753702} H2863 9684 0.0 -1 1 {} H 0.0 {0.650179 0.899701 0.269271} H2864 9685 0.0 -1 1 {} H 0.0 {0.572332 0.936117 0.0246386} H2865 9686 0.0 -1 1 {} H 0.0 {0.42066 0.822774 0.109253} H2866 9687 0.0 -1 1 {} H 0.0 {0.543346 0.93031 0.0107315} H2867 9688 0.0 -1 1 {} H 0.0 {0.522522 0.849494 0.970035} H2868 9689 0.0 -1 8 {} O 0.0 {0.575684 0.897157 0.403567} O5022 9690 0.0 -1 8 {} O 0.0 {0.514237 0.791021 0.783597} O5023 9691 0.0 -1 8 {} O 0.0 {0.375417 0.933192 0.423328} O5024 9692 0.0 -1 1 {} H 0.0 {0.56913 0.815964 0.643874} H2869 9693 0.0 -1 1 {} H 0.0 {0.424869 0.861755 0.943956} H2870 9694 0.0 -1 1 {} H 0.0 {0.485141 0.901611 0.938551} H2871 9695 0.0 -1 1 {} H 0.0 {0.507101 0.797695 0.55179} H2872 9696 0.0 -1 1 {} H 0.0 {0.666682 0.918735 0.798632} H2873 9697 0.0 -1 1 {} H 0.0 {0.539494 0.927565 0.103214} H2874 9698 0.0 -1 8 {} O 0.0 {0.650225 0.897575 0.222847} O5025 9699 0.0 -1 8 {} O 0.0 {0.4272 0.860716 0.983873} O5026 9700 0.0 -1 8 {} O 0.0 {0.500541 0.863896 0.580129} O5027 9701 0.0 -1 8 {} O 0.0 {0.668531 0.915087 0.837344} O5028 9702 0.0 -1 8 {} O 0.0 {0.539127 0.921549 0.0628906} O5029 9703 0.0 -1 1 {} H 0.0 {0.719483 0.919941 0.68766} H2875 9704 0.0 -1 1 {} H 0.0 {0.702525 0.930438 0.674781} H2876 9705 0.0 -1 1 {} H 0.0 {0.459755 0.938024 0.180634} H2877 9706 0.0 -1 1 {} H 0.0 {0.565581 0.927821 0.351175} H2878 9707 0.0 -1 1 {} H 0.0 {0.461499 0.899741 0.881339} H2879 9708 0.0 -1 1 {} H 0.0 {0.558284 0.93244 0.141394} H2880 9709 0.0 -1 1 {} H 0.0 {0.455887 0.836227 0.195236} H2881 9710 0.0 -1 1 {} H 0.0 {0.564025 0.829669 0.696992} H2882 9711 0.0 -1 1 {} H 0.0 {0.496782 0.935172 0.125138} H2883 9712 0.0 -1 1 {} H 0.0 {0.32355 0.902167 0.969043} H2884 9713 0.0 -1 1 {} H 0.0 {0.567601 0.790884 0.970057} H2885 9714 0.0 -1 8 {} O 0.0 {0.48542 0.892534 0.956198} O5030 9715 0.0 -1 8 {} O 0.0 {0.563078 0.821418 0.667733} O5031 9716 0.0 -1 8 {} O 0.0 {0.495958 0.942087 0.19606} O5032 9717 0.0 -1 1 {} H 0.0 {0.470052 0.850851 0.317151} H2886 9718 0.0 -1 1 {} H 0.0 {0.57202 0.804037 0.608096} H2887 9719 0.0 -1 1 {} H 0.0 {0.494706 0.847116 0.024763} H2888 9720 0.0 -1 1 {} H 0.0 {0.336999 0.950382 0.126438} H2889 9721 0.0 -1 1 {} H 0.0 {0.500602 0.856262 0.472782} H2890 9722 0.0 -1 1 {} H 0.0 {0.627841 0.911137 0.653874} H2891 9723 0.0 -1 8 {} O 0.0 {0.459822 0.834974 0.193577} O5033 9724 0.0 -1 8 {} O 0.0 {0.572755 0.811889 0.632256} O5034 9725 0.0 -1 8 {} O 0.0 {0.462823 0.891884 0.860878} O5035 9726 0.0 -1 8 {} O 0.0 {0.501093 0.857594 0.426555} O5036 9727 0.0 -1 8 {} O 0.0 {0.538455 0.936277 0.515196} O5037 9728 0.0 -1 1 {} H 0.0 {0.517371 0.85 0.381533} H2892 9729 0.0 -1 1 {} H 0.0 {0.728431 0.937958 0.770645} H2893 9730 0.0 -1 1 {} H 0.0 {0.493467 0.925878 0.641524} H2894 9731 0.0 -1 1 {} H 0.0 {0.76651 0.953362 0.851725} H2895 9732 0.0 -1 1 {} H 0.0 {0.444537 0.910522 0.201589} H2896 9733 0.0 -1 1 {} H 0.0 {0.751985 0.943895 0.157126} H2897 9734 0.0 -1 1 {} H 0.0 {0.437409 0.86801 0.121138} H2898 9735 0.0 -1 1 {} H 0.0 {0.402398 0.890756 0.35889} H2899 9736 0.0 -1 1 {} H 0.0 {0.414558 0.935132 0.369829} H2900 9737 0.0 -1 1 {} H 0.0 {0.379523 0.930424 0.221044} H2901 9738 0.0 -1 1 {} H 0.0 {0.306199 0.932392 0.100315} H2902 9739 0.0 -1 8 {} O 0.0 {0.494222 0.856774 0.0300559} O5038 9740 0.0 -1 8 {} O 0.0 {0.395724 0.946316 0.513852} O5039 9741 0.0 -1 8 {} O 0.0 {0.417861 0.92977 0.376516} O5040 9742 0.0 -1 1 {} H 0.0 {0.356093 0.895836 0.383082} H2903 9743 0.0 -1 1 {} H 0.0 {0.493216 0.903186 0.49527} H2904 9744 0.0 -1 1 {} H 0.0 {0.375873 0.888217 0.535552} H2905 9745 0.0 -1 1 {} H 0.0 {0.542387 0.887339 0.308425} H2906 9746 0.0 -1 1 {} H 0.0 {0.585399 0.819894 0.683286} H2907 9747 0.0 -1 1 {} H 0.0 {0.37851 0.93843 0.404172} H2908 9748 0.0 -1 8 {} O 0.0 {0.437719 0.858622 0.113085} O5041 9749 0.0 -1 8 {} O 0.0 {0.511571 0.833395 0.139131} O5042 9750 0.0 -1 8 {} O 0.0 {0.442661 0.903908 0.229644} O5043 9751 0.0 -1 8 {} O 0.0 {0.559461 0.931451 0.187294} O5044 9752 0.0 -1 8 {} O 0.0 {0.419297 0.824206 0.0657821} O5045 9753 0.0 -1 1 {} H 0.0 {0.371946 0.895399 0.390467} H2909 9754 0.0 -1 1 {} H 0.0 {0.456144 0.847855 0.734211} H2910 9755 0.0 -1 1 {} H 0.0 {0.408526 0.906827 0.786115} H2911 9756 0.0 -1 1 {} H 0.0 {0.622356 0.876222 0.637902} H2912 9757 0.0 -1 1 {} H 0.0 {0.509316 0.829915 0.0523592} H2913 9758 0.0 -1 1 {} H 0.0 {0.496281 0.921051 0.081734} H2914 9759 0.0 -1 1 {} H 0.0 {0.447518 0.834999 0.175949} H2915 9760 0.0 -1 1 {} H 0.0 {0.663827 0.890631 0.476151} H2916 9761 0.0 -1 1 {} H 0.0 {0.395288 0.922215 0.328805} H2917 9762 0.0 -1 1 {} H 0.0 {0.324092 0.931232 0.501884} H2918 9763 0.0 -1 1 {} H 0.0 {0.504451 0.806117 0.270828} H2919 9764 0.0 -1 8 {} O 0.0 {0.41762 0.935442 0.873681} O5046 9765 0.0 -1 8 {} O 0.0 {0.662132 0.882725 0.488727} O5047 9766 0.0 -1 8 {} O 0.0 {0.517752 0.937708 0.513718} O5048 9767 0.0 -1 1 {} H 0.0 {0.423009 0.935396 0.0429723} H2920 9768 0.0 -1 1 {} H 0.0 {0.539929 0.812129 0.694386} H2921 9769 0.0 -1 1 {} H 0.0 {0.286968 0.931377 0.203403} H2922 9770 0.0 -1 1 {} H 0.0 {0.498629 0.906311 0.263528} H2923 9771 0.0 -1 1 {} H 0.0 {0.584899 0.897557 0.23812} H2924 9772 0.0 -1 1 {} H 0.0 {0.556578 0.92265 0.359803} H2925 9773 0.0 -1 8 {} O 0.0 {0.449374 0.841989 0.202319} O5049 9774 0.0 -1 8 {} O 0.0 {0.517459 0.803142 0.272902} O5050 9775 0.0 -1 8 {} O 0.0 {0.507167 0.827354 0.0170306} O5051 9776 0.0 -1 8 {} O 0.0 {0.588264 0.895012 0.219514} O5052 9777 0.0 -1 8 {} O 0.0 {0.533279 0.819684 0.0670366} O5053 9778 0.0 -1 1 {} H 0.0 {0.396725 0.9011 0.226449} H2926 9779 0.0 -1 1 {} H 0.0 {0.497451 0.916982 0.78906} H2927 9780 0.0 -1 1 {} H 0.0 {0.400786 0.878231 0.113962} H2928 9781 0.0 -1 1 {} H 0.0 {0.459762 0.886953 0.840724} H2929 9782 0.0 -1 1 {} H 0.0 {0.475884 0.937403 0.757102} H2930 9783 0.0 -1 1 {} H 0.0 {0.612079 0.946052 0.719712} H2931 9784 0.0 -1 1 {} H 0.0 {0.282364 0.941627 0.343202} H2932 9785 0.0 -1 1 {} H 0.0 {0.630795 0.861814 0.265941} H2933 9786 0.0 -1 1 {} H 0.0 {0.47425 0.910012 0.462295} H2934 9787 0.0 -1 1 {} H 0.0 {0.403354 0.924869 0.854582} H2935 9788 0.0 -1 1 {} H 0.0 {0.393306 0.896284 0.423868} H2936 9789 0.0 -1 8 {} O 0.0 {0.285343 0.93 0.165246} O5054 9790 0.0 -1 8 {} O 0.0 {0.405258 0.919882 0.824306} O5055 9791 0.0 -1 8 {} O 0.0 {0.474025 0.918777 0.443969} O5056 9792 0.0 -1 1 {} H 0.0 {0.430631 0.930493 0.848591} H2937 9793 0.0 -1 1 {} H 0.0 {0.488643 0.89856 0.539782} H2938 9794 0.0 -1 1 {} H 0.0 {0.438021 0.907367 0.0541697} H2939 9795 0.0 -1 1 {} H 0.0 {0.564298 0.930815 0.820158} H2940 9796 0.0 -1 1 {} H 0.0 {0.337699 0.908153 0.935179} H2941 9797 0.0 -1 1 {} H 0.0 {0.485966 0.880429 0.35901} H2942 9798 0.0 -1 8 {} O 0.0 {0.427399 0.925831 0.837463} O5057 9799 0.0 -1 8 {} O 0.0 {0.496746 0.920921 0.634577} O5058 9800 0.0 -1 8 {} O 0.0 {0.567156 0.924452 0.811593} O5059 9801 0.0 -1 8 {} O 0.0 {0.406673 0.847003 0.579066} O5060 9802 0.0 -1 8 {} O 0.0 {0.488406 0.873693 0.340459} O5061 9803 0.0 -1 1 {} H 0.0 {0.438663 0.890594 0.194101} H2943 9804 0.0 -1 1 {} H 0.0 {0.544265 0.917802 0.810287} H2944 9805 0.0 -1 8 {} O 0.0 {0.496349 0.931113 0.079611} O5062 9806 0.0 -1 1 {} H 0.0 {0.535335 0.779582 0.363061} H2945 9807 0.0 -1 1 {} H 0.0 {0.454221 0.877684 0.700049} H2946 9808 0.0 -1 8 {} O 0.0 {0.533494 0.770793 0.36208} O5063 9809 0.0 -1 8 {} O 0.0 {0.599167 0.940051 0.830526} O5064 9810 0.0 -1 1 {} H 0.0 {0.836243 0.111725 0.449193} H2947 9811 0.0 -1 1 {} H 0.0 {0.579013 0.132509 0.385793} H2948 9812 0.0 -1 1 {} H 0.0 {0.646553 0.0985767 0.253185} H2949 9813 0.0 -1 1 {} H 0.0 {0.781251 0.107345 0.86239} H2950 9814 0.0 -1 1 {} H 0.0 {0.648881 0.935091 0.764253} H2951 9815 0.0 -1 8 {} O 0.0 {0.648033 0.932407 0.806462} O5065 9816 0.0 -1 1 {} H 0.0 {0.742079 0.150903 0.294832} H2952 9817 0.0 -1 1 {} H 0.0 {0.696119 0.128213 0.29713} H2953 9818 0.0 -1 1 {} H 0.0 {0.672993 0.0978855 0.835953} H2954 9819 0.0 -1 1 {} H 0.0 {0.591822 0.144546 0.332015} H2955 9820 0.0 -1 8 {} O 0.0 {0.668074 0.0944948 0.0118167} O5066 9821 0.0 -1 1 {} H 0.0 {0.602206 0.0834314 0.00416855} H2956 9822 0.0 -1 1 {} H 0.0 {0.602446 0.180107 0.891141} H2957 9823 0.0 -1 1 {} H 0.0 {0.76955 0.110611 0.852791} H2958 9824 0.0 -1 1 {} H 0.0 {0.561739 0.211162 0.50337} H2959 9825 0.0 -1 8 {} O 0.0 {0.766595 0.11542 0.872883} O5067 9826 0.0 -1 1 {} H 0.0 {0.574573 0.0822992 0.873398} H2960 9827 0.0 -1 1 {} H 0.0 {0.581078 0.118145 0.38091} H2961 9828 0.0 -1 1 {} H 0.0 {0.586722 0.147813 0.23525} H2962 9829 0.0 -1 1 {} H 0.0 {0.621239 0.159113 0.360939} H2963 9830 0.0 -1 8 {} O 0.0 {0.622534 0.157082 0.401884} O5068 9831 0.0 -1 1 {} H 0.0 {0.55559 0.0882837 0.847326} H2964 9832 0.0 -1 1 {} H 0.0 {0.586607 0.153727 0.167062} H2965 9833 0.0 -1 1 {} H 0.0 {0.53197 0.175031 0.179539} H2966 9834 0.0 -1 1 {} H 0.0 {0.658515 0.135614 0.339227} H2967 9835 0.0 -1 8 {} O 0.0 {0.559509 0.140728 0.336191} O5069 9836 0.0 -1 1 {} H 0.0 {0.518694 0.0862913 0.900573} H2968 9837 0.0 -1 1 {} H 0.0 {0.593879 0.228508 0.520711} H2969 9838 0.0 -1 1 {} H 0.0 {0.58409 0.0938511 0.532559} H2970 9839 0.0 -1 1 {} H 0.0 {0.606695 0.193859 0.173498} H2971 9840 0.0 -1 8 {} O 0.0 {0.603103 0.194603 0.15352} O5070 9841 0.0 -1 1 {} H 0.0 {0.552024 0.189216 0.0563289} H2972 9842 0.0 -1 8 {} O 0.0 {0.551859 0.198869 0.0617844} O5071 9843 0.0 -1 1 {} H 0.0 {0.83117 0.116636 0.862231} H2973 9844 0.0 -1 1 {} H 0.0 {0.754805 0.0855616 0.217826} H2974 9845 0.0 -1 1 {} H 0.0 {0.677045 0.162874 0.267565} H2975 9846 0.0 -1 1 {} H 0.0 {0.760507 0.940615 0.747991} H2976 9847 0.0 -1 8 {} O 0.0 {0.928016 0.0900123 0.321142} O5072 9848 0.0 -1 8 {} O 0.0 {0.747372 0.0988507 0.653656} O5073 9849 0.0 -1 1 {} H 0.0 {0.759494 0.111914 0.659033} H2977 9850 0.0 -1 1 {} H 0.0 {0.675699 0.184436 0.694204} H2978 9851 0.0 -1 1 {} H 0.0 {0.907098 0.108937 0.0905495} H2979 9852 0.0 -1 1 {} H 0.0 {0.915591 0.102524 0.863817} H2980 9853 0.0 -1 1 {} H 0.0 {0.667721 0.125641 0.333443} H2981 9854 0.0 -1 1 {} H 0.0 {0.620088 0.10248 0.324762} H2982 9855 0.0 -1 1 {} H 0.0 {0.902006 0.0914353 0.241179} H2983 9856 0.0 -1 1 {} H 0.0 {0.684068 0.149888 0.822811} H2984 9857 0.0 -1 1 {} H 0.0 {0.752235 0.139605 0.0649765} H2985 9858 0.0 -1 1 {} H 0.0 {0.283818 0.922694 0.784431} H2986 9859 0.0 -1 1 {} H 0.0 {0.650231 0.938565 0.833011} H2987 9860 0.0 -1 8 {} O 0.0 {0.52883 0.162646 0.323662} O5074 9861 0.0 -1 8 {} O 0.0 {0.282912 0.925768 0.825618} O5075 9862 0.0 -1 8 {} O 0.0 {0.858935 0.117084 0.995363} O5076 9863 0.0 -1 1 {} H 0.0 {0.648773 0.09596 0.18571} H2988 9864 0.0 -1 1 {} H 0.0 {0.855868 0.112483 0.0129329} H2989 9865 0.0 -1 1 {} H 0.0 {0.729124 0.101558 0.654786} H2990 9866 0.0 -1 1 {} H 0.0 {0.605714 0.159477 0.887756} H2991 9867 0.0 -1 1 {} H 0.0 {0.648921 0.102329 0.477807} H2992 9868 0.0 -1 1 {} H 0.0 {0.667544 0.0948781 0.967139} H2993 9869 0.0 -1 8 {} O 0.0 {0.646398 0.101958 0.208654} O5077 9870 0.0 -1 8 {} O 0.0 {0.60749 0.15158 0.871541} O5078 9871 0.0 -1 8 {} O 0.0 {0.677185 0.183981 0.739544} O5079 9872 0.0 -1 8 {} O 0.0 {0.70775 0.0978991 0.342161} O5080 9873 0.0 -1 8 {} O 0.0 {0.756094 0.113917 0.639522} O5081 9874 0.0 -1 1 {} H 0.0 {0.701517 0.134893 0.310858} H2994 9875 0.0 -1 1 {} H 0.0 {0.687124 0.134455 0.157461} H2995 9876 0.0 -1 1 {} H 0.0 {0.843185 0.114587 0.257418} H2996 9877 0.0 -1 1 {} H 0.0 {0.663718 0.144006 0.316108} H2997 9878 0.0 -1 1 {} H 0.0 {0.731024 0.149334 0.894003} H2998 9879 0.0 -1 1 {} H 0.0 {0.726555 0.102497 0.575409} H2999 9880 0.0 -1 1 {} H 0.0 {0.767595 0.152407 0.111134} H3000 9881 0.0 -1 1 {} H 0.0 {0.729546 0.13795 0.852525} H3001 9882 0.0 -1 1 {} H 0.0 {0.733193 0.132755 0.156599} H3002 9883 0.0 -1 1 {} H 0.0 {0.769593 0.10853 0.5046} H3003 9884 0.0 -1 1 {} H 0.0 {0.609558 0.198646 0.998261} H3004 9885 0.0 -1 8 {} O 0.0 {0.727175 0.105791 0.532092} O5082 9886 0.0 -1 8 {} O 0.0 {0.590354 0.82383 0.313413} O5083 9887 0.0 -1 8 {} O 0.0 {0.734121 0.128018 0.115855} O5084 9888 0.0 -1 1 {} H 0.0 {0.620777 0.216859 0.573078} H3005 9889 0.0 -1 1 {} H 0.0 {0.666802 0.160754 0.849196} H3006 9890 0.0 -1 1 {} H 0.0 {0.59762 0.223383 0.00731231} H3007 9891 0.0 -1 1 {} H 0.0 {0.878737 0.107999 0.618277} H3008 9892 0.0 -1 1 {} H 0.0 {0.90067 0.111049 0.594403} H3009 9893 0.0 -1 1 {} H 0.0 {0.598077 0.156634 0.379108} H3010 9894 0.0 -1 8 {} O 0.0 {0.709404 0.126247 0.159643} O5085 9895 0.0 -1 8 {} O 0.0 {0.716369 0.153707 0.446195} O5086 9896 0.0 -1 8 {} O 0.0 {0.683694 0.139781 0.165125} O5087 9897 0.0 -1 8 {} O 0.0 {0.56526 0.100216 0.257229} O5088 9898 0.0 -1 8 {} O 0.0 {0.698024 0.136676 0.292568} O5089 9899 0.0 -1 1 {} H 0.0 {0.688959 0.11962 0.501125} H3011 9900 0.0 -1 1 {} H 0.0 {0.551486 0.810559 0.35473} H3012 9901 0.0 -1 1 {} H 0.0 {0.728801 0.119758 0.468758} H3013 9902 0.0 -1 1 {} H 0.0 {0.573059 0.156061 0.730061} H3014 9903 0.0 -1 1 {} H 0.0 {0.544527 0.194156 0.733066} H3015 9904 0.0 -1 1 {} H 0.0 {0.733958 0.147958 0.783699} H3016 9905 0.0 -1 1 {} H 0.0 {0.702143 0.939134 0.500874} H3017 9906 0.0 -1 1 {} H 0.0 {0.709026 0.942873 0.718326} H3018 9907 0.0 -1 1 {} H 0.0 {0.888215 0.1027 0.309783} H3019 9908 0.0 -1 1 {} H 0.0 {0.713896 0.14657 0.438713} H3020 9909 0.0 -1 1 {} H 0.0 {0.891 0.104326 0.228855} H3021 9910 0.0 -1 8 {} O 0.0 {0.901737 0.117284 0.627941} O5090 9911 0.0 -1 8 {} O 0.0 {0.547831 0.127435 0.22301} O5091 9912 0.0 -1 8 {} O 0.0 {0.596717 0.148253 0.393822} O5092 9913 0.0 -1 1 {} H 0.0 {0.575938 0.197332 0.850742} H3022 9914 0.0 -1 1 {} H 0.0 {0.685946 0.159801 0.713105} H3023 9915 0.0 -1 1 {} H 0.0 {0.497738 0.120011 0.19497} H3024 9916 0.0 -1 1 {} H 0.0 {0.577113 0.12487 0.0162471} H3025 9917 0.0 -1 1 {} H 0.0 {0.627569 0.190652 0.586385} H3026 9918 0.0 -1 1 {} H 0.0 {0.463243 0.102373 0.796788} H3027 9919 0.0 -1 8 {} O 0.0 {0.58617 0.210119 0.833904} O5093 9920 0.0 -1 8 {} O 0.0 {0.642413 0.126377 0.589863} O5094 9921 0.0 -1 8 {} O 0.0 {0.729873 0.147756 0.851769} O5095 9922 0.0 -1 8 {} O 0.0 {0.54984 0.130215 0.805124} O5096 9923 0.0 -1 8 {} O 0.0 {0.603617 0.175569 0.931932} O5097 9924 0.0 -1 1 {} H 0.0 {0.583404 0.0734983 0.979823} H3028 9925 0.0 -1 1 {} H 0.0 {0.510877 0.78723 0.802832} H3029 9926 0.0 -1 1 {} H 0.0 {0.661439 0.147651 0.904602} H3030 9927 0.0 -1 1 {} H 0.0 {0.605845 0.102137 0.766256} H3031 9928 0.0 -1 1 {} H 0.0 {0.428989 0.89286 0.123635} H3032 9929 0.0 -1 1 {} H 0.0 {0.55872 0.175968 0.448905} H3033 9930 0.0 -1 1 {} H 0.0 {0.644402 0.934466 0.0129931} H3034 9931 0.0 -1 1 {} H 0.0 {0.746208 0.109978 0.561304} H3035 9932 0.0 -1 1 {} H 0.0 {0.606459 0.909192 0.888193} H3036 9933 0.0 -1 1 {} H 0.0 {0.702441 0.137122 0.749844} H3037 9934 0.0 -1 1 {} H 0.0 {0.472991 0.0983872 0.294105} H3038 9935 0.0 -1 8 {} O 0.0 {0.543282 0.167376 0.406094} O5098 9936 0.0 -1 8 {} O 0.0 {0.407681 0.853868 0.176051} O5099 9937 0.0 -1 8 {} O 0.0 {0.814666 0.126817 0.385932} O5100 9938 0.0 -1 1 {} H 0.0 {0.592741 0.222493 0.0982942} H3039 9939 0.0 -1 1 {} H 0.0 {0.627319 0.184741 0.475069} H3040 9940 0.0 -1 1 {} H 0.0 {0.58172 0.0975633 0.0323182} H3041 9941 0.0 -1 1 {} H 0.0 {0.661094 0.117314 0.154828} H3042 9942 0.0 -1 1 {} H 0.0 {0.590795 0.149699 0.734761} H3043 9943 0.0 -1 1 {} H 0.0 {0.64356 0.144249 0.453037} H3044 9944 0.0 -1 8 {} O 0.0 {0.628111 0.152861 0.584353} O5101 9945 0.0 -1 8 {} O 0.0 {0.545494 0.829063 0.259277} O5102 9946 0.0 -1 8 {} O 0.0 {0.556205 0.820524 0.789817} O5103 9947 0.0 -1 8 {} O 0.0 {0.888794 0.112184 0.228523} O5104 9948 0.0 -1 8 {} O 0.0 {0.584871 0.0787051 0.0182383} O5105 9949 0.0 -1 1 {} H 0.0 {0.52142 0.166287 0.0499623} H3045 9950 0.0 -1 1 {} H 0.0 {0.640361 0.928876 0.105798} H3046 9951 0.0 -1 1 {} H 0.0 {0.653811 0.114321 0.347121} H3047 9952 0.0 -1 1 {} H 0.0 {0.433337 0.218709 0.00463583} H3048 9953 0.0 -1 1 {} H 0.0 {0.691809 0.107595 0.921646} H3049 9954 0.0 -1 1 {} H 0.0 {0.555306 0.157798 0.770425} H3050 9955 0.0 -1 1 {} H 0.0 {0.764076 0.947884 0.34776} H3051 9956 0.0 -1 1 {} H 0.0 {0.708308 0.910536 0.842835} H3052 9957 0.0 -1 1 {} H 0.0 {0.686688 0.163483 0.915352} H3053 9958 0.0 -1 1 {} H 0.0 {0.516954 0.825255 0.806119} H3054 9959 0.0 -1 1 {} H 0.0 {0.515989 0.17385 0.0545478} H3055 9960 0.0 -1 8 {} O 0.0 {0.542202 0.136052 0.460266} O5106 9961 0.0 -1 8 {} O 0.0 {0.420331 0.863953 0.886548} O5107 9962 0.0 -1 8 {} O 0.0 {0.499628 0.162512 0.349774} O5108 9963 0.0 -1 1 {} H 0.0 {0.613578 0.120702 0.200349} H3056 9964 0.0 -1 1 {} H 0.0 {0.611863 0.156807 0.737069} H3057 9965 0.0 -1 1 {} H 0.0 {0.611629 0.189127 0.250094} H3058 9966 0.0 -1 1 {} H 0.0 {0.597755 0.105972 0.132097} H3059 9967 0.0 -1 1 {} H 0.0 {0.48617 0.13977 0.205297} H3060 9968 0.0 -1 1 {} H 0.0 {0.417022 0.100388 0.285982} H3061 9969 0.0 -1 8 {} O 0.0 {0.665671 0.149109 0.471506} O5109 9970 0.0 -1 8 {} O 0.0 {0.690122 0.115748 0.901673} O5110 9971 0.0 -1 8 {} O 0.0 {0.746924 0.11327 0.517182} O5111 9972 0.0 -1 8 {} O 0.0 {0.597419 0.115315 0.142733} O5112 9973 0.0 -1 8 {} O 0.0 {0.584543 0.149764 0.198644} O5113 9974 0.0 -1 1 {} H 0.0 {0.56858 0.0864677 0.936354} H3062 9975 0.0 -1 1 {} H 0.0 {0.548103 0.795567 0.102231} H3063 9976 0.0 -1 1 {} H 0.0 {0.420959 0.112843 0.0484224} H3064 9977 0.0 -1 1 {} H 0.0 {0.284104 0.119462 0.935605} H3065 9978 0.0 -1 1 {} H 0.0 {0.599363 0.141388 0.373208} H3066 9979 0.0 -1 1 {} H 0.0 {0.54667 0.128568 0.602405} H3067 9980 0.0 -1 1 {} H 0.0 {0.579613 0.19524 0.419551} H3068 9981 0.0 -1 1 {} H 0.0 {0.475616 0.0291587 0.30584} H3069 9982 0.0 -1 1 {} H 0.0 {0.364852 0.931134 0.304338} H3070 9983 0.0 -1 1 {} H 0.0 {0.765884 0.110248 0.908491} H3071 9984 0.0 -1 1 {} H 0.0 {0.366017 0.914583 0.542167} H3072 9985 0.0 -1 8 {} O 0.0 {0.54401 0.135181 0.595016} O5114 9986 0.0 -1 8 {} O 0.0 {0.623794 0.883794 0.790106} O5115 9987 0.0 -1 8 {} O 0.0 {0.551248 0.155065 0.625719} O5116 9988 0.0 -1 1 {} H 0.0 {0.580849 0.108832 0.13004} H3073 9989 0.0 -1 1 {} H 0.0 {0.567876 0.113455 0.559261} H3074 9990 0.0 -1 1 {} H 0.0 {0.496224 0.0922075 0.00851219} H3075 9991 0.0 -1 1 {} H 0.0 {0.287632 0.107103 0.947966} H3076 9992 0.0 -1 1 {} H 0.0 {0.520969 0.114945 0.466818} H3077 9993 0.0 -1 1 {} H 0.0 {0.529057 0.195233 0.624319} H3078 9994 0.0 -1 8 {} O 0.0 {0.599081 0.224854 0.647183} O5117 9995 0.0 -1 8 {} O 0.0 {0.556964 0.182852 0.421599} O5118 9996 0.0 -1 8 {} O 0.0 {0.564646 0.132896 0.987103} O5119 9997 0.0 -1 8 {} O 0.0 {0.287574 0.116653 0.941581} O5120 9998 0.0 -1 8 {} O 0.0 {0.500205 0.157445 0.116761} O5121 9999 0.0 -1 1 {} H 0.0 {0.450257 0.932403 0.653239} H3079 10000 0.0 -1 1 {} H 0.0 {0.228789 0.930999 0.440271} H3080 10001 0.0 -1 1 {} H 0.0 {0.621226 0.120174 0.113423} H3081 10002 0.0 -1 8 {} O 0.0 {0.620657 0.112346 0.0888321} O5122 10003 0.0 -1 8 {} O 0.0 {0.61309 0.208874 0.796782} O5123 10004 0.0 -1 1 {} H 0.0 {0.560211 0.111401 0.266841} H3082 10005 0.0 -1 1 {} H 0.0 {0.515392 0.0935393 0.0016519} H3083 10006 0.0 -1 8 {} O 0.0 {0.507862 0.0860389 0.0128426} O5124 10007 0.0 -1 8 {} O 0.0 {0.617125 0.204215 0.775848} O5125 10008 0.0 -1 1 {} H 0.0 {0.251014 0.941228 0.700893} H3084 10009 0.0 -1 1 {} H 0.0 {0.515358 0.834805 0.129751} H3085 10010 0.0 -1 1 {} H 0.0 {0.421787 0.941804 0.517125} H3086 10011 0.0 -1 1 {} H 0.0 {0.966718 0.093286 0.506574} H3087 10012 0.0 -1 8 {} O 0.0 {0.683315 0.159143 0.908726} O5126 10013 0.0 -1 8 {} O 0.0 {0.327152 0.935345 0.788253} O5127 10014 0.0 -1 1 {} H 0.0 {0.93758 0.109189 0.992435} H3088 10015 0.0 -1 1 {} H 0.0 {0.693579 0.15379 0.327307} H3089 10016 0.0 -1 1 {} H 0.0 {0.50884 0.870326 0.820066} H3090 10017 0.0 -1 1 {} H 0.0 {0.478369 0.870759 0.737946} H3091 10018 0.0 -1 1 {} H 0.0 {0.522268 0.904022 0.464836} H3092 10019 0.0 -1 1 {} H 0.0 {0.556876 0.870084 0.798139} H3093 10020 0.0 -1 1 {} H 0.0 {0.682086 0.156975 0.950406} H3094 10021 0.0 -1 1 {} H 0.0 {0.761648 0.942446 0.407659} H3095 10022 0.0 -1 1 {} H 0.0 {0.367125 0.878122 0.990393} H3096 10023 0.0 -1 1 {} H 0.0 {0.701739 0.938027 0.34276} H3097 10024 0.0 -1 1 {} H 0.0 {0.690118 0.955322 0.730938} H3098 10025 0.0 -1 8 {} O 0.0 {0.610048 0.844624 0.281396} O5128 10026 0.0 -1 8 {} O 0.0 {0.698819 0.932674 0.359804} O5129 10027 0.0 -1 8 {} O 0.0 {0.731917 0.928365 0.490886} O5130 10028 0.0 -1 1 {} H 0.0 {0.940158 0.104007 0.174806} H3099 10029 0.0 -1 1 {} H 0.0 {0.734391 0.930845 0.457611} H3100 10030 0.0 -1 1 {} H 0.0 {0.485458 0.877258 0.662862} H3101 10031 0.0 -1 1 {} H 0.0 {0.313353 0.923676 0.673926} H3102 10032 0.0 -1 1 {} H 0.0 {0.708371 0.127838 0.828159} H3103 10033 0.0 -1 1 {} H 0.0 {0.659344 0.159969 0.764368} H3104 10034 0.0 -1 8 {} O 0.0 {0.557306 0.243771 0.143793} O5131 10035 0.0 -1 8 {} O 0.0 {0.559533 0.235283 0.167223} O5132 10036 0.0 -1 8 {} O 0.0 {0.497156 0.942651 0.505569} O5133 10037 0.0 -1 8 {} O 0.0 {0.518468 0.90712 0.451877} O5134 10038 0.0 -1 8 {} O 0.0 {0.656821 0.166224 0.746762} O5135 10039 0.0 -1 1 {} H 0.0 {0.739612 0.106004 0.650964} H3105 10040 0.0 -1 1 {} H 0.0 {0.491254 0.930735 0.315556} H3106 10041 0.0 -1 1 {} H 0.0 {0.361024 0.880064 0.984418} H3107 10042 0.0 -1 1 {} H 0.0 {0.898292 0.120085 0.644612} H3108 10043 0.0 -1 1 {} H 0.0 {0.647169 0.864187 0.976377} H3109 10044 0.0 -1 1 {} H 0.0 {0.799616 0.957284 0.803627} H3110 10045 0.0 -1 1 {} H 0.0 {0.713191 0.946384 0.363019} H3111 10046 0.0 -1 1 {} H 0.0 {0.465365 0.164314 0.769694} H3112 10047 0.0 -1 1 {} H 0.0 {0.717165 0.931277 0.71812} H3113 10048 0.0 -1 1 {} H 0.0 {0.536392 0.146684 0.442525} H3114 10049 0.0 -1 1 {} H 0.0 {0.677311 0.903903 0.19824} H3115 10050 0.0 -1 8 {} O 0.0 {0.698561 0.942233 0.517588} O5136 10051 0.0 -1 8 {} O 0.0 {0.613599 0.137706 0.454681} O5137 10052 0.0 -1 8 {} O 0.0 {0.515151 0.775328 0.278489} O5138 10053 0.0 -1 1 {} H 0.0 {0.618895 0.179517 0.223503} H3116 10054 0.0 -1 1 {} H 0.0 {0.532342 0.768636 0.556398} H3117 10055 0.0 -1 1 {} H 0.0 {0.548228 0.933003 0.420123} H3118 10056 0.0 -1 1 {} H 0.0 {0.430986 0.863368 0.972901} H3119 10057 0.0 -1 1 {} H 0.0 {0.616921 0.00649225 0.371} H3120 10058 0.0 -1 1 {} H 0.0 {0.820177 0.120802 0.638314} H3121 10059 0.0 -1 8 {} O 0.0 {0.337304 0.917921 0.662515} O5139 10060 0.0 -1 8 {} O 0.0 {0.46291 0.876799 0.500392} O5140 10061 0.0 -1 8 {} O 0.0 {0.54767 0.930857 0.466082} O5141 10062 0.0 -1 8 {} O 0.0 {0.558256 0.939679 0.501745} O5142 10063 0.0 -1 8 {} O 0.0 {0.819162 0.112321 0.623345} O5143 10064 0.0 -1 1 {} H 0.0 {0.617532 0.11004 0.716371} H3122 10065 0.0 -1 1 {} H 0.0 {0.550237 0.936616 0.488685} H3123 10066 0.0 -1 1 {} H 0.0 {0.261336 0.946612 0.486246} H3124 10067 0.0 -1 1 {} H 0.0 {0.599607 0.870395 0.401239} H3125 10068 0.0 -1 1 {} H 0.0 {0.344983 0.950429 0.40722} H3126 10069 0.0 -1 1 {} H 0.0 {0.548092 0.798298 0.735472} H3127 10070 0.0 -1 1 {} H 0.0 {0.592337 0.867257 0.899024} H3128 10071 0.0 -1 1 {} H 0.0 {0.414559 0.854842 0.367204} H3129 10072 0.0 -1 1 {} H 0.0 {0.385608 0.876162 0.665124} H3130 10073 0.0 -1 1 {} H 0.0 {0.579815 0.907179 0.593874} H3131 10074 0.0 -1 1 {} H 0.0 {0.537239 0.834726 0.504298} H3132 10075 0.0 -1 8 {} O 0.0 {0.708582 0.939411 0.795146} O5144 10076 0.0 -1 8 {} O 0.0 {0.412873 0.8586 0.404073} O5145 10077 0.0 -1 8 {} O 0.0 {0.616944 0.942579 0.178015} O5146 10078 0.0 -1 1 {} H 0.0 {0.660384 0.157186 0.109023} H3133 10079 0.0 -1 1 {} H 0.0 {0.625275 0.930814 0.0183141} H3134 10080 0.0 -1 1 {} H 0.0 {0.508589 0.817705 0.00319926} H3135 10081 0.0 -1 1 {} H 0.0 {0.499612 0.785129 0.0087166} H3136 10082 0.0 -1 1 {} H 0.0 {0.526485 0.903174 0.776095} H3137 10083 0.0 -1 1 {} H 0.0 {0.610023 0.110907 0.797293} H3138 10084 0.0 -1 8 {} O 0.0 {0.588891 0.213753 0.526163} O5147 10085 0.0 -1 8 {} O 0.0 {0.547824 0.813749 0.367736} O5148 10086 0.0 -1 8 {} O 0.0 {0.530049 0.806916 0.512499} O5149 10087 0.0 -1 8 {} O 0.0 {0.37815 0.9386 0.199952} O5150 10088 0.0 -1 8 {} O 0.0 {0.605948 0.108987 0.800788} O5151 10089 0.0 -1 1 {} H 0.0 {0.775991 0.110925 0.241227} H3139 10090 0.0 -1 1 {} H 0.0 {0.445702 0.854909 0.666196} H3140 10091 0.0 -1 1 {} H 0.0 {0.254753 0.937808 0.220645} H3141 10092 0.0 -1 1 {} H 0.0 {0.474695 0.9251 0.480296} H3142 10093 0.0 -1 1 {} H 0.0 {0.482328 0.936402 0.694419} H3143 10094 0.0 -1 1 {} H 0.0 {0.560712 0.884925 0.311305} H3144 10095 0.0 -1 1 {} H 0.0 {0.382794 0.900429 0.702791} H3145 10096 0.0 -1 1 {} H 0.0 {0.636649 0.858319 0.950043} H3146 10097 0.0 -1 1 {} H 0.0 {0.416824 0.924972 0.415286} H3147 10098 0.0 -1 1 {} H 0.0 {0.576395 0.88437 0.471616} H3148 10099 0.0 -1 1 {} H 0.0 {0.387457 0.8928 0.734405} H3149 10100 0.0 -1 8 {} O 0.0 {0.38429 0.891533 0.710359} O5152 10101 0.0 -1 8 {} O 0.0 {0.638467 0.865904 0.928855} O5153 10102 0.0 -1 8 {} O 0.0 {0.483911 0.823103 0.743559} O5154 10103 0.0 -1 1 {} H 0.0 {0.435468 0.893307 0.717739} H3150 10104 0.0 -1 1 {} H 0.0 {0.466045 0.941581 0.733236} H3151 10105 0.0 -1 1 {} H 0.0 {0.362564 0.875549 0.097795} H3152 10106 0.0 -1 1 {} H 0.0 {0.266711 0.91299 0.48443} H3153 10107 0.0 -1 1 {} H 0.0 {0.591897 0.882191 0.819515} H3154 10108 0.0 -1 1 {} H 0.0 {0.544353 0.838378 0.263092} H3155 10109 0.0 -1 8 {} O 0.0 {0.541342 0.887931 0.26347} O5155 10110 0.0 -1 8 {} O 0.0 {0.515165 0.844012 0.841267} O5156 10111 0.0 -1 8 {} O 0.0 {0.336366 0.939484 0.512922} O5157 10112 0.0 -1 8 {} O 0.0 {0.475266 0.937723 0.857216} O5158 10113 0.0 -1 8 {} O 0.0 {0.658317 0.147249 0.937303} O5159 10114 0.0 -1 1 {} H 0.0 {0.604398 0.175003 0.326891} H3156 10115 0.0 -1 1 {} H 0.0 {0.314842 0.915456 0.903107} H3157 10116 0.0 -1 1 {} H 0.0 {0.691564 0.905449 0.577765} H3158 10117 0.0 -1 1 {} H 0.0 {0.319251 0.924856 0.656811} H3159 10118 0.0 -1 1 {} H 0.0 {0.652899 0.934783 0.16544} H3160 10119 0.0 -1 1 {} H 0.0 {0.592092 0.852073 0.410683} H3161 10120 0.0 -1 1 {} H 0.0 {0.496075 0.796271 0.977512} H3162 10121 0.0 -1 1 {} H 0.0 {0.449773 0.934127 0.341823} H3163 10122 0.0 -1 1 {} H 0.0 {0.567496 0.819143 0.430179} H3164 10123 0.0 -1 1 {} H 0.0 {0.37804 0.876786 0.144897} H3165 10124 0.0 -1 1 {} H 0.0 {0.592464 0.820417 0.640444} H3166 10125 0.0 -1 8 {} O 0.0 {0.499155 0.790021 0.969755} O5160 10126 0.0 -1 8 {} O 0.0 {0.437041 0.944485 0.51973} O5161 10127 0.0 -1 8 {} O 0.0 {0.341472 0.907972 0.937135} O5162 10128 0.0 -1 1 {} H 0.0 {0.678771 0.929561 0.0693082} H3167 10129 0.0 -1 1 {} H 0.0 {0.396917 0.938971 0.824143} H3168 10130 0.0 -1 1 {} H 0.0 {0.522488 0.842213 0.501122} H3169 10131 0.0 -1 1 {} H 0.0 {0.528203 0.920701 0.809194} H3170 10132 0.0 -1 1 {} H 0.0 {0.308815 0.90242 0.294516} H3171 10133 0.0 -1 1 {} H 0.0 {0.562208 0.127896 0.0127321} H3172 10134 0.0 -1 8 {} O 0.0 {0.316293 0.918529 0.657508} O5163 10135 0.0 -1 8 {} O 0.0 {0.592803 0.87267 0.81351} O5164 10136 0.0 -1 8 {} O 0.0 {0.549388 0.822457 0.501224} O5165 10137 0.0 -1 8 {} O 0.0 {0.715798 0.910132 0.843629} O5166 10138 0.0 -1 8 {} O 0.0 {0.704488 0.913244 0.834063} O5167 10139 0.0 -1 1 {} H 0.0 {0.523796 0.150782 0.841664} H3173 10140 0.0 -1 1 {} H 0.0 {0.549238 0.816739 0.464009} H3174 10141 0.0 -1 1 {} H 0.0 {0.264083 0.909845 0.587456} H3175 10142 0.0 -1 1 {} H 0.0 {0.397051 0.826177 0.568036} H3176 10143 0.0 -1 1 {} H 0.0 {0.398478 0.819479 0.506069} H3177 10144 0.0 -1 1 {} H 0.0 {0.401925 0.902595 0.552696} H3178 10145 0.0 -1 1 {} H 0.0 {0.637019 0.885113 0.837739} H3179 10146 0.0 -1 1 {} H 0.0 {0.46118 0.85764 0.524757} H3180 10147 0.0 -1 1 {} H 0.0 {0.260834 0.925162 0.931547} H3181 10148 0.0 -1 1 {} H 0.0 {0.547582 0.843939 0.634487} H3182 10149 0.0 -1 1 {} H 0.0 {0.590048 0.878827 0.266768} H3183 10150 0.0 -1 8 {} O 0.0 {0.589395 0.826669 0.629511} O5168 10151 0.0 -1 8 {} O 0.0 {0.546521 0.852721 0.616266} O5169 10152 0.0 -1 8 {} O 0.0 {0.381194 0.915614 0.631082} O5170 10153 0.0 -1 1 {} H 0.0 {0.578284 0.845132 0.485731} H3184 10154 0.0 -1 1 {} H 0.0 {0.500833 0.169363 0.920816} H3185 10155 0.0 -1 1 {} H 0.0 {0.404328 0.934027 0.00622246} H3186 10156 0.0 -1 1 {} H 0.0 {0.492744 0.782613 0.241117} H3187 10157 0.0 -1 1 {} H 0.0 {0.255779 0.923375 0.295181} H3188 10158 0.0 -1 1 {} H 0.0 {0.510801 0.742121 0.151265} H3189 10159 0.0 -1 8 {} O 0.0 {0.327218 0.927871 0.476044} O5171 10160 0.0 -1 8 {} O 0.0 {0.390117 0.148671 0.223453} O5172 10161 0.0 -1 8 {} O 0.0 {0.248512 0.93656 0.729361} O5173 10162 0.0 -1 8 {} O 0.0 {0.398863 0.827516 0.527093} O5174 10163 0.0 -1 8 {} O 0.0 {0.463709 0.877077 0.165795} O5175 10164 0.0 -1 1 {} H 0.0 {0.691145 0.937441 0.483882} H3190 10165 0.0 -1 1 {} H 0.0 {0.527225 0.919779 0.472506} H3191 10166 0.0 -1 1 {} H 0.0 {0.460464 0.824723 0.191071} H3192 10167 0.0 -1 8 {} O 0.0 {0.527424 0.929788 0.476801} O5176 10168 0.0 -1 8 {} O 0.0 {0.667737 0.903399 0.421371} O5177 10169 0.0 -1 1 {} H 0.0 {0.377534 0.856279 0.512891} H3193 10170 0.0 -1 1 {} H 0.0 {0.45288 0.162435 0.0788967} H3194 10171 0.0 -1 8 {} O 0.0 {0.390519 0.897628 0.455898} O5178 10172 0.0 -1 1 {} H 0.0 {0.448538 0.871542 0.716935} H3195 10173 0.0 -1 8 {} O 0.0 {0.430617 0.842517 0.323383} O5179 10174 0.0 -1 1 {} H 0.0 {0.576527 0.907106 0.24837} H3196 10175 0.0 -1 1 {} H 0.0 {0.555924 0.862836 0.863723} H3197 10176 0.0 -1 8 {} O 0.0 {0.480602 0.904365 0.523984} O5180 10177 0.0 -1 8 {} O 0.0 {0.558632 0.864176 0.827771} O5181 10178 0.0 -1 1 {} H 0.0 {0.607753 0.913311 0.608709} H3198 10179 0.0 -1 1 {} H 0.0 {0.688933 0.934594 0.630263} H3199 10180 0.0 -1 8 {} O 0.0 {0.610984 0.913684 0.633903} O5182 10181 0.0 -1 8 {} O 0.0 {0.718716 0.948818 0.162451} O5183 10182 0.0 -1 1 {} H 0.0 {0.601651 0.946516 0.131546} H3200 10183 0.0 -1 1 {} H 0.0 {0.543686 0.781719 0.993534} H3201 10184 0.0 -1 8 {} O 0.0 {0.600486 0.94204 0.170339} O5184 10185 0.0 -1 8 {} O 0.0 {0.551444 0.794968 0.753678} O5185 10186 0.0 -1 1 {} H 0.0 {0.412575 0.826798 0.918575} H3202 10187 0.0 -1 1 {} H 0.0 {0.33132 0.924367 0.922304} H3203 10188 0.0 -1 8 {} O 0.0 {0.41565 0.844785 0.280387} O5186 10189 0.0 -1 8 {} O 0.0 {0.55973 0.883973 0.264077} O5187 10190 0.0 -1 1 {} H 0.0 {0.255163 0.923065 0.946382} H3204 10191 0.0 -1 1 {} H 0.0 {0.396426 0.89748 0.554289} H3205 10192 0.0 -1 8 {} O 0.0 {0.295331 0.943379 0.18725} O5188 10193 0.0 -1 8 {} O 0.0 {0.748616 0.939444 0.140957} O5189 10194 0.0 -1 1 {} H 0.0 {0.200675 0.961042 0.735129} H3206 10195 0.0 -1 1 {} H 0.0 {0.670557 0.906915 0.450192} H3207 10196 0.0 -1 8 {} O 0.0 {0.461889 0.848226 0.520533} O5190 10197 0.0 -1 8 {} O 0.0 {0.399389 0.899137 0.582579} O5191 10198 0.0 -1 1 {} H 0.0 {0.522379 0.892458 0.0331169} H3208 10199 0.0 -1 8 {} O 0.0 {0.437253 0.887276 0.152279} O5192 10200 0.0 -1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {248.585 100 20.7669 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{248.585 0 0} {0 100 0} {0 0 20.7669}} {{0.00402276887181 0 0} {0 0.01 0} {0 0 0.0481535520468}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 6946 6073 0 0 1100 1095 0 0 8752 8660 0 0 9297 8322 0 0 7046 6209 0 0 4697 4695 0 0 8000 2701 0 0 4642 4608 0 0 7468 6831 0 0 3477 3470 0 0 8738 2728 0 0 3068 3063 0 0 9397 6516 0 0 6671 6668 0 0 785 783 0 0 9616 9611 0 0 3330 3326 0 0 3581 3579 0 0 9123 7497 0 0 5874 2251 0 0 5167 5163 0 2 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0} 0 10263 617 613 {0 0 0} 0 10264 681 675 {0 0 0} 0 10265 161 157 {0 0 0} 0 10266 234 230 {0 0 0} 0 10267 872 867 {0 0 0} 0 10268 945 939 {0 0 0} 0 10269 7057 6276 {0 0 0} 0 10270 989 987 {0 0 0} 0 10271 115 111 {0 0 0} 0 10272 233 231 {0 0 0} 0 10273 6676 2371 {0 0 0} 0 10274 5466 6144 {0 0 0} 0 10275 1679 1680 {0 0 0} 0 10276 1559 1560 {0 0 0} 0 10277 1408 7211 {0 0 1} 0 10278 1319 1320 {0 0 0} 0 10279 194 201 {0 0 0} 0 10280 768 766 {0 0 0} 0 10281 3786 3782 {0 0 1} 0 10282 960 958 {0 0 0} 0 10283 193 202 {0 0 0} 0 10284 60 66 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end}} } Namespace { ::thread { } } Namespace { ::tsv { } } Namespace { ::tpool { } } Namespace { ::chemistry { } } Namespace { ::chemistry::PeriodicTable { scalar ::chemistry::PeriodicTable::gProperties {symbol {atomic radius} {covalent radius} {atomic number} {atomic mass} {discovery date} {electrical conductivity} {thermal conductivity} {specific heat} electronegativity {boiling point} {melting point} density {atomic volume} {lattice spacing a} structure {c/a, alpha, b/a} {coherent scattering length} {incoherent X-section} {absorption @1.8A} name state valency {ldf spin-polarization energy} {atomic heat of formation at 0 K} {Pettifor index} {alternate radius}} scalar ::chemistry::PeriodicTable::gSymbols {X H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og } scalar ::chemistry::PeriodicTable::gType {{} continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous discrete {} continuous continuous continuous {} discrete discrete continuous continuous discrete continuous} scalar ::chemistry::PeriodicTable::gUnits {{} Ang Ang {} amu {} {10^6 / (cm * ohm)} {W /(cm * K)} {[J/g/K]} {} K\] K {} {} Ang {} {} {1.0E-12 cm} barn barn {} {} {} kJ/mol kJ/mol {} Ang} scalar ::chemistry::PeriodicTable::gNElements 118 scalar ::chemistry::PeriodicTable::gElementData {{X --- --- 0 0.0 ---- --- ---- --- --- --- --- --- --- --- --- --- --- --- --- Dummy --- --- --- --- 999 1.10} {H 0.79 0.32 1 1.00794 1766 --- 0.001815 14.304 2.20 20.268 14.025 0.0899 14.4 3.75 HEX --- -0.374 79.9 0.3326 Hydrogen gas 1 86.64 216.035 103 0.20} {He 0.49 0.93 2 4.002602 1895 --- 0.00152 5.193 --- 4.215 0.95 0.1787 0.0 3.57 HEX --- 0.326 0.0 0.00747 Helium gas 0 0.00 0 1 1.00} {Li 2.05 1.23 3 6.941 1817 0.108 0.847 3.6 0.98 1615 453.7 0.53 13.10 3.49 BCC --- -0.190 0.91 70.5 Lithium solid 1 23.00 157.735 12 0.90} {Be 1.40 0.90 4 9.012182 1798 0.313 2.00 1.82 1.57 2745 1560.0 1.85 5.0 2.29 HEX 1.567 0.779 0.005 0.0076 Beryllium solid 2 0.00 319.753 77 0.80} {B 1.17 0.82 5 10.811 1828 1.0e-12 0.270 1.02 2.04 4275 2300.0 2.34 4.6 8.73 TET 0.576 0.530 1.7 767.0 Boron solid 3 24.72 559.906 86 0.65} {C 0.91 0.77 6 12.011 ???? 0.00061 1.29 0.71 2.55 4470.0 4100.0 2.62 4.58 3.57 DIA --- 0.6648 0.001 0.0035 Carbon solid 4 116.26 711.194 95 0.70} {N 0.75 0.75 7 14.00674 1772 --- 0.0002598 1.04 3.04 77.35 63.14 1.251 17.3 4.039 HEX 1.051 0.936 0.49 1.90 Nitrogen gas 3 293.49 470.818 100 0.80} {O 0.65 0.73 8 15.9994 1774 --- 0.0002674 0.92 3.44 90.18 50.35 1.429 14.0 6.83 CUB --- 0.5805 0.000 0.00019 Oxygen gas 2 142.65 246.795 101 0.90} {F 0.57 0.72 9 18.9984032 1886 --- 0.000279 0.82 3.98 84.95 53.48 1.696 17.1 --- MCL --- 0.5654 0.0008 0.0096 Fluorine gas 1 38.19 77.2745 102 0.95} {Ne 0.51 0.71 10 20.1797 1898 --- 0.000493 0.904 --- 27.096 24.553 0.901 16.7 4.43 FCC --- 0.4547 0.008 0.039 Neon gas 0 0.00 0 2 1.40} {Na 2.23 1.54 11 22.989768 1807 0.139 1.41 1.23 0.93 1156 371.0 0.97 23.7 4.23 BCC --- 0.363 1.62 0.530 Sodium solid 1 19.86 107.763 11 1.10} {Mg 1.72 1.36 12 24.3050 1808 0.226 1.56 1.02 1.31 1363 922 1.74 13.97 3.21 HEX 1.624 0.5375 0.077 0.063 Magnesium solid 2 0.00 145.901 73 0.95} {Al 1.82 1.18 13 26.981539 1825 0.377 2.37 0.90 1.61 2793 933.25 2.70 10.0 4.05 FCC --- 0.3449 0.0085 0.231 Aluminum solid 3 14.66 327.621 80 0.85} {Si 1.46 1.11 14 28.0855 1823 2.52e-12 1.48 0.71 1.90 3540.0 1685 2.33 12.1 5.43 DIA --- 0.4149 0.015 0.171 Silicon solid 4 64.45 445.667 85 0.80} {P 1.23 1.06 15 30.97362 1669 1.0e-17 0.00235 0.77 2.19 550.0 317.30 1.82 17.0 7.17 CUB --- 0.513 0.006 0.172 Phosphorus solid 3 156.41 315.663 90 0.90} {S 1.09 1.02 16 32.066 ???? 0.5e-23 0.00269 0.71 2.58 717.75 388.36 2.07 15.5 10.47 ORC 2.339/1.229 0.2847 0.007 0.53 Sulfur solid 2 73.16 274.925 94 1.25} {Cl 0.97 0.99 17 35.4527 1774 --- 0.000089 0.48 3.16 239.1 172.16 3.17 22.7 6.24 ORC 1.324/0.718 0.95792 5.2 33.5 Chlorine gas 1 19.12 119.6195 99 1.35} {Ar 0.88 0.98 18 39.948 1894 --- 0.0001772 0.520 --- 87.30 83.81 1.784 28.5 5.26 FCC --- 0.1909 0.22 0.675 Argon gas 0 0.00 0 3 1.70} {K 2.77 2.03 19 39.0983 1807 0.139 1 0.75 0.82 1032 336.35 0.86 45.46 5.23 BCC --- 0.371 0.25 2.1 Potassium solid 1 14.29 89.891 10 1.50} {Ca 2.23 1.91 20 40.078 1808 0.298 2.00 0.63 1.00 1757 1112 1.55 29.9 5.58 FCC --- 0.490 0.03 0.43 Calcium solid 2 0.00 177.339 16 1.30} {Sc 2.09 1.62 21 44.955910 1879 0.0177 0.158 0.6 1 3104 1812 3.0 15.0 3.31 HEX 1.594 1.229 4.5 27.2 Scandium solid 3 15.68 376.22 19 1.05} {Ti 2.00 1.45 22 47.88 1791 0.0234 0.219 0.52 1.54 3562 1943 4.50 10.64 2.95 HEX 1.588 -0.330 2.67 6.09 Titanium solid 4 68.91 470.285 51 1.00} {V 1.92 1.34 23 50.9415 1830 0.0489 0.307 0.49 1.63 3682 2175 5.8 8.78 3.02 BCC --- -0.0382 5.187 5.08 Vanadium solid 5 166.19 514.84 54 0.98} {Cr 1.85 1.18 24 51.9961 1797 0.0774 0.937 0.45 1.66 2945 2130.0 7.19 7.23 2.88 BCC --- 0.3635 1.83 3.07 Chromium solid 3 493.88 394.86 57 0.97} {Mn 1.79 1.17 25 54.93085 1774 0.00695 0.0782 0.48 1.55 2335 1517 7.43 1.39 8.89 FCC --- -0.373 0.40 13.3 Manganese solid 2 511.24 279.8 60 0.96} {Fe 1.72 1.17 26 55.847 ???? 0.0993 0.802 0.44 1.83 3135 1809 7.86 7.1 2.87 BCC --- 0.954 0.39 2.56 Iron solid 2 341.93 411.405 61 0.95} {Co 1.67 1.16 27 58.93320 1737 0.172 1.00 0.42 1.88 3201 1768 8.90 6.7 2.51 HEX 1.622 0.250 4.8 37.18 Cobalt solid 2 199.63 423.41 64 0.94} {Ni 1.62 1.15 28 58.69 1751 0.143 0.907 0.44 1.91 3187 1726 8.90 6.59 3.52 FCC --- 1.03 5.2 4.49 Nickel solid 2 91.65 427.97 67 0.93} {Cu 1.57 1.17 29 63.546 ???? 0.596 4.01 0.38 1.90 2836 1357.6 8.96 7.1 3.61 FCC --- 0.7718 0.52 3.78 Copper solid 2 19.68 336.207 72 0.95} {Zn 1.53 1.25 30 65.39 1746 0.166 1.16 0.39 1.65 1180.0 692.73 7.14 9.2 2.66 HEX 1.856 0.5680 0.077 1.11 Zinc solid 2 0.00 129.86 76 1.00} {Ga 1.81 1.26 31 69.723 1875 0.0678 0.406 0.37 1.81 2478 302.90 5.91 11.8 4.51 ORC 1.695/1.001 0.7288 0.0 2.9 Gallium solid 3 14.36 276.02 81 0.90} {Ge 1.52 1.22 32 72.61 1886 1 0.599 0.32 2.01 3107 1210.4 5.32 13.6 5.66 DIA --- 0.81929 0.17 2.3 Germanium solid 4 59.15 369.238 84 0.85} {As 1.33 1.20 33 74.92159 ???? 0.0345 0.500 0.33 2.18 876 1081 5.72 13.1 4.13 RHL 54\"10' 0.658 0.060 4.5 Arsenic solid 3 136.99 301.93 89 1.00} {Se 1.22 1.16 34 78.96 1817 1.0e-12 0.0204 0.32 2.55 958 494 4.80 16.45 4.36 HEX 1.136 0.797 0.33 11.7 Selenium solid 2 61.67 226.421 93 1.30} {Br 1.12 1.14 35 79.904 1826 --- 0.00122 0.473 2.96 332.25 265.90 3.12 23.5 6.67 ORC 1.307/0.672 0.679 0.10 6.9 Bromine liquid 1 15.62 117.933 98 1.40} {Kr 1.03 1.12 36 83.80 1898 --- 0.0000949 0.248 --- 119.80 115.78 3.74 38.9 5.72 FCC --- 0.780 0.03 25. Krypton gas 0 0.00 0 4 1.90} {Rb 2.98 2.16 37 85.4678 1861 0.0779 0.582 0.363 0.82 961 312.64 1.53 55.9 5.59 BCC --- 0.708 0.3 0.38 Rubidium solid 1 12.78 82.192 9 1.80} {Sr 2.45 1.91 38 87.62 1790 0.0762 0.353 0.30 0.95 1650.0 1041 2.6 33.7 6.08 FCC --- 0.702 0.04 1.28 Strontium solid 2 0.00 164 15 1.60} {Y 2.27 1.62 39 88.90585 1794 0.0166 0.172 0.30 1.22 3611 1799 4.5 19.8 3.65 HEX 1.571 0.775 0.15 1.28 Yttrium solid 3 11.91 420.11 25 1.30} {Zr 2.16 1.45 40 91.224 1789 0.0236 0.227 0.27 1.33 4682 2125 6.49 14.1 3.23 HEX 1.593 0.716 0.16 0.185 Zirconium solid 4 51.13 607.71 49 1.15} {Nb 2.09 1.34 41 92.90638 1801 0.0693 0.537 0.26 1.6 5017 2740.0 8.55 10.87 3.30 BCC --- 0.7054 0.0024 1.15 Niobium solid 5 261.09 722.89 53 1.12} {Mo 2.01 1.30 42 95.94 1778 0.187 1.38 0.25 2.16 4912 2890.0 10.2 9.4 3.15 BCC --- 0.695 0.28 2.55 Molybdenum solid 6 392.14 656.393 56 1.11} {Tc 1.95 1.27 43 98.91 1937 0.067 0.506 0.21 1.9 4538 2473 11.5 8.5 2.74 HEX 1.604 0.68 0.0 20.0 Technetium solid ? 359.05 678 59 1.10} {Ru 1.89 1.25 44 101.07 1844 0.137 1.17 0.238 2.2 4423 2523 12.2 8.3 2.70 HEX 1.584 0.721 0.07 2.56 Ruthenium solid 3 166.40 641.37 62 1.09} {Rh 1.83 1.25 45 102.90550 1803 0.211 1.50 0.242 2.28 3970.0 2236 12.4 8.3 3.90 FCC --- 0.588 0.0 145.0 Rhodium solid 3 88.99 555.71 65 1.08} {Pd 1.79 1.28 46 106.42 1803 0.0950 0.718 0.24 2.20 3237 1825 12.0 8.9 3.89 FCC --- 0.591 0.093 6.9 Palladium solid 2 0.00 377.24 69 1.07} {Ag 1.75 1.34 47 107.8682 ???? 0.630 4.29 0.235 1.93 2436 1234 10.5 10.3 4.09 FCC --- 0.5922 0.58 63.3 Silver solid 1 16.11 284.45 71 1.10} {Cd 1.71 1.48 48 112.411 1817 0.138 0.968 0.23 1.69 1040.0 594.18 8.65 13.1 2.98 HEX 1.886 0.51 2.4 2520.0 Cadmium solid 2 0.00 111.85 75 1.20} {In 2.00 1.44 49 114.82 1863 0.116 0.816 0.23 1.78 2346 429.76 7.31 15.7 4.59 TET 1.076 0.4065 0.54 193.8 Indium solid 3 12.46 243.7 79 1.05} {Sn 1.72 1.41 50 118.710 ???? 0.0917 0.666 0.227 1.96 2876 505.06 7.30 16.3 5.82 TET 0.546 0.6228 0.022 0.626 Tin solid 4 49.86 301.308 83 1.00} {Sb 1.53 1.40 51 121.75 ???? 0.0288 0.243 0.21 2.05 1860.0 904 6.68 18.23 4.51 RHL 58\"6' 0.5641 0.3 5.1 Antimony solid 3 113.05 262.7 88 1.30} {Te 1.42 1.36 52 127.60 1782 2.0e-6 0.0235 0.20 2.1 1261 722.65 6.24 20.5 4.45 HEX 1.33 0.543 0.02 4.7 Tellurium solid 2 50.05 196.62 92 1.70} {I 1.32 1.33 53 126.90447 1804 8.0e-16 0.00449 0.214 2.66 458.4 386.7 4.92 25.74 7.27 ORC 1.347/0.659 0.528 0.0 6.2 Iodine solid 1 12.51 113.759 97 1.80} {Xe 1.24 1.31 54 131.29 1898 --- 0.0000569 0.158 --- 165.03 161.36 5.89 37.3 6.20 FCC --- 0.485 0.0 23.9 Xenon gas 0 0.00 0 5 2.10} {Cs 3.34 2.35 55 132.90543 1860 0.0489 0.359 0.24 0.79 944 301.55 1.87 71.07 6.05 BCC --- 0.542 0.21 29.0 Cesium solid 1 10.91 78.014 8 1.80} {Ba 2.78 1.98 56 137.327 1808 0.030 0.184 0.204 0.89 2171 1002 3.5 39.24 5.02 BCC --- 0.525 0.01 1.2 Barium solid 2 0.00 181.7 14 1.60} {La 2.74 1.69 57 138.9055 1839 0.0126 0.135 0.19 1.10 3730.0 1193 6.7 20.73 3.75 HEX 1.619 0.824 1.13 8.97 Lanthanum solid 3 10.68 431.36 33 1.30} {Ce 2.70 1.65 58 140.115 1803 0.0115 0.114 0.19 1.12 3699 1071 6.78 20.67 5.16 FCC --- 0.484 0.0 0.63 Cerium solid 3 33.37 424.33 32 1.20} {Pr 2.67 1.65 59 140.90765 1885 0.0148 0.125 0.19 1.13 3785 1204 6.77 20.8 3.67 HEX 1.614 0.445 0.016 11.5 Praseodymium solid 3 134.97 357.08 31 1.19} {Nd 2.64 1.64 60 144.24 1925 0.0157 0.165 0.19 1.14 3341 1289 7.00 20.6 3.66 HEX 1.614 0.769 11. 50.5 Neodymium solid 3 248.46 328.93 30 1.18} {Pm 2.62 1.63 61 146.9151 1945 --- 0.179 0.18 1.13 3785 1204 6.475 22.39 --- --- --- 1.26 1.3 168.4 Promethium solid 3 399.56 --- 29 1.17} {Sm 2.59 1.62 62 150.36 1879 0.00956 0.133 0.20 1.17 2064 1345 7.54 19.95 9.00 RHL 23\"13' 0.42 50. 5670. Samarium solid 3 589.70 206.43 28 1.16} {Eu 2.56 1.85 63 151.965 1901 0.0112 0.139 0.18 1.2 1870.0 1090.0 5.26 28.9 4.61 BCC --- 0.668 2.2 4600. Europium solid 3 820.13 176.8 18 1.15} {Gd 2.54 1.61 64 157.25 1880 0.00736 0.106 0.23 1.20 3539 1585 7.89 19.9 3.64 HEX 1.588 0.95 158.0 48890. Gadolinium solid 3 949.67 398.47 27 1.14} {Tb 2.51 1.59 65 158.92534 1843 0.00889 0.111 0.18 1.2 3496 1630.0 8.27 19.2 3.60 HEX 1.581 0.738 0.004 23.4 Terbium solid 3 436.00 390.91 26 1.13} {Dy 2.49 1.59 66 162.50 1886 0.0108 0.107 0.17 1.22 2835 1682 8.54 19.0 3.59 HEX 1.573 1.69 54.5 940. Dysprosium solid 3 283.86 291.8 24 1.12} {Ho 2.47 1.58 67 164.93032 1878 0.0124 0.162 0.16 1.23 2968 1743 8.80 18.7 3.58 HEX 1.570 0.808 0.36 64.7 Holmium solid 3 162.17 302.8 23 1.11} {Er 2.45 1.57 68 167.26 1843 0.0117 0.143 0.17 1.24 3136 1795 9.05 18.4 3.56 HEX 1.570 0.803 1.2 159.2 Erbium solid 3 73.11 318.18 22 1.10} {Tm 2.42 1.56 69 168.93421 1879 0.0150 0.168 0.16 1.25 2220.0 1818 9.33 18.1 3.54 HEX 1.570 0.705 0.41 105. Thulium solid 3 18.52 233.19 21 1.09} {Yb 2.40 1.74 70 173.04 1878 0.0351 0.349 0.15 1.1 1467 1097 6.98 24.79 5.49 FCC --- 1.24 3.0 35.1 Ytterbium solid 3 0.00 152.51 17 1.08} {Lu 2.25 1.56 71 174.967 1907 0.0185 0.164 0.15 1.27 3668 1936 9.84 17.78 3.51 HEX 1.585 0.73 0.1 76.4 Lutetium solid 3 11.53 428.18 20 1.07} {Hf 2.16 1.44 72 178.49 1923 0.0312 0.230 0.14 1.3 4876 2500.0 13.1 13.6 3.20 HEX 1.582 0.777 2.6 104.1 Hafnium solid 4 48.55 618.65 50 1.15} {Ta 2.09 1.34 73 180.9479 1802 0.0761 0.575 0.14 1.5 5731 3287 16.6 10.90 3.31 BCC --- 0.691 0.02 20.6 Tantalum solid 5 112.72 781.44 52 1.12} {W 2.02 1.30 74 183.85 1783 0.189 1.74 0.13 2.36 5828 3680.0 19.3 9.53 3.16 BCC --- 0.477 2.00 18.4 Tungsten solid 6 204.93 847.76 55 1.11} {Re 1.97 1.28 75 186.207 1925 0.0542 0.479 0.13 1.9 5869 3453 21.0 8.85 2.76 HEX 1.615 0.92 0.9 90.7 Rhenium solid 5 325.85 769.22 58 1.10} {Os 1.92 1.26 76 190.2 1804 0.109 0.876 0.13 2.2 5285 3300.0 22.4 8.49 2.74 HEX 1.579 1.10 0.4 16.0 Osmium solid 4 210.26 791 63 1.09} {Ir 1.87 1.27 77 192.22 1804 0.197 1.47 0.130 2.20 4701 2716 22.5 8.54 3.84 FCC --- 1.06 0.2 425.3 Iridium solid 4 119.17 664.07 66 1.08} {Pt 1.83 1.30 78 195.08 1735 0.0966 0.716 0.13 2.28 4100.0 2045 21.4 9.10 3.92 FCC --- 0.963 0.13 10.3 Platinum solid 4 36.06 564.16 68 1.07} {Au 1.79 1.34 79 196.96654 ???? 0.452 3.17 0.128 2.54 3130.0 1337.58 19.3 10.2 4.08 FCC --- 0.763 0.36 98.65 Gold solid 3 14.78 365.81 70 1.10} {Hg 1.76 1.49 80 200.59 ???? 0.0104 0.0834 0.139 2.00 630.0 234.28 13.53 14.82 2.99 RHL 70\"45' 1.266 6.7 372.3 Mercury liquid 2 0.00 64.525 74 1.20} {Tl 2.08 1.48 81 204.3833 1861 0.0617 0.461 0.13 2.04 1746 577 11.85 17.2 3.46 HEX 1.599 0.8785 0.14 3.43 Thallium solid 3 11.75 182.83 78 1.20} {Pb 1.81 1.47 82 207.2 ???? 0.0481 0.353 0.13 2.33 2023 600.6 11.4 18.17 4.95 FCC --- 0.94003 0.003 0.171 Lead solid 4 46.28 195.873 82 1.10} {Bi 1.63 1.46 83 208.98037 ???? 0.00867 0.0787 0.12 2.02 1837 544.52 9.8 21.3 4.75 RHL 58\"14' 0.85256 0.0072 0.0338 Bismuth solid 3 103.69 207.23 87 1.30} {Po 1.53 1.46 84 209.98 1898 0.0219 0.20 0.12 2.0 1235 527 9.4 22.23 3.35 SC --- --- --- --- Polonium solid 2 45.46 --- 91 1.90} {At 1.43 1.45 85 209.9871 1940 --- 0.017 --- 2.2 610.0 575 --- --- --- --- --- --- --- --- Astatine solid 1 11.27 --- 96 2.00} {Rn 1.34 1.43 86 (222) 1898 --- 0.0000364 0.09 --- 211 202 9.91 50.5 --- --- --- --- --- --- Radon gas 0 0.00 0 6 2.20} {Fr 3.50 2.50 87 223.0197 1939 0.03 0.15 --- 0.7 950.0 300.0 --- --- --- --- --- 0.8495 0.0072 0.036 Francium solid 1 10.15 --- 7 2.00} {Ra 3.00 2.40 88 226.025 1898 --- 0.186 0.12 0.9 1809 973 5 45.20 --- --- --- 1.0 0.0 12.8 Radium solid 2 0.00 159 13 1.50} {Ac 3.20 2.20 89 227.028 1899 --- 0.12 --- 1.1 3473 1323 10.07 22.54 5.31 FCC --- --- --- --- Actinium solid 3 9.74 406 48 1.30} {Th 3.16 1.65 90 232.0381 1828 0.0653 0.540 0.12 1.3 5061 2028 11.7 19.9 5.08 FCC --- 0.984 0.0 7.37 Thorium solid 3 39.72 602 47 1.20} {Pa 3.14 1.535 91 231.03588 1917 0.0529 0.47 0.12 1.5 --- --- 15.4 15.0 3.92 TET 0.825 0.91 0.0 200.6 Protactinium solid 3 75.76 607 46 1.10} {U 3.11 1.42 92 238.0289 1789 0.0380 0.276 0.12 1.38 4407 1405 18.90 12.59 2.85 ORC 2.056/1.736 0.8417 0.004 7.57 Uranium solid 3 148.67 533 45 1.10} {Np 3.08 1.42 93 237.048 1940 0.00822 0.063 0.12 1.36 --- 910.0 20.4 11.62 4.72 ORC 1.411/1.035 1.055 0.0 175.9 Neptunium solid 3 {} --- 44 1.10} {Pu 3.05 1.42 94 244.0642 1940 0.00666 0.0674 0.13 1.28 3503 913 19.8 12.32 --- MCL --- 1.41 0.0 558. Plutonium solid 3 {} --- 43 1.10} {Am 3.02 --- 95 243.061375 1945 0.022 0.1 0.11 1.3 2880.0 1268 13.6 17.86 --- --- --- 0.83 0.0 75.3 Americium solid 3 {} --- 42 1.10} {Cm 2.99 --- 96 247.0703 1944 --- 0.1 --- 1.3 --- 1340.0 13.511 18.28 --- --- --- 0.7 0.0 0.0 Curium solid 3 {} --- 41 1.10} {Bk 2.97 --- 97 (247) 1949 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Berkelium solid 3 {} --- 40 1.10} {Cf 2.95 --- 98 (251) 1950 --- 0.1 --- 1.3 --- 900.0 --- --- --- --- --- --- --- --- Californium solid 3 {} --- 39 1.10} {Es 2.92 --- 99 (252) 1952 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Einsteinium solid 3 {} --- 38 1.10} {Fm 2.90 --- 100 257.0951 1953 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Fermium solid 3 {} --- 37 1.10} {Md 2.87 --- 101 (258) 1955 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Mendelevium solid 3 {} --- 36 1.10} {No 2.85 --- 102 (259) 1957 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Nobelium solid 3 {} --- 35 1.10} {Lr 2.82 --- 103 (266) 1961 --- 0.1 --- --- --- --- --- --- --- --- --- --- --- --- Lawrencium solid 3 {} --- 34 1.10} {Rf --- --- 104 261.1087 1964 --- 0.23 --- --- --- --- --- --- --- --- --- --- --- --- Rutherfordium solid ? {} --- 104 1.10} {Db --- --- 105 262.1138 1970 --- 0.58 --- --- --- --- --- --- --- --- --- --- --- --- Dubnium solid ? {} --- 105 1.10} {Sg --- --- 106 263.1182 1974 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Seaborgium solid ? {} --- 106 1.10} {Bh --- --- 107 262.1229 1976 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Bohrium solid ? {} --- 107 1.10} {Hs --- --- 108 (270) 1984 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Hassium solid ? {} --- 108 1.10} {Mt --- --- 109 (268) 1982 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Meitnerium solid ? {} --- 109 1.10} {Ds --- --- 110 (281) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Darmstadtium solid ? {} --- {} 1.10} {Rg --- --- 111 (280) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Roentgenium solid ? {} {} {} {}} {Cn --- --- 112 (277) 1996 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Copernicium solid ? {} {} {} {}} {Nh --- --- 113 (287) 2003 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Nihonium solid ? {} {} {} {}} {Fl --- --- 114 (289) 1999 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Flerovium solid ? {} {} {} {}} {Mc --- --- 115 (289) 2004 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Moscovium solid ? {} {} {} {}} {Lv --- --- 116 (293) 2000 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Livermorium solid ? {} {} {} {}} {Ts --- --- 117 (294) 2010 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Tennessine solid ? {} {} {} {}} {Og --- --- 118 (294) 2006 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Oganesson solid ? {} {} {} {}}} } } }