job.id 258 job.name {Continue job 255, NVT 0.2.fs, 1000ps 300K,H2O droplet on Si-OH_SiO2 surface} job.description { } job.status finished job.submitted {2024-11-24 23:32:38} job.started {2024-11-24 23:32:38} job.finished {2024-11-25 21:48:44} job.queue 14 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 $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-20dc3a11-8158-44cd-9aad-0468b0597af8 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-20dc3a11-8158-44cd-9aad-0468b0597af8 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-570ac1f4-1d0b-4081-b9ec-55ae462c2b93 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-98e0c2cb-2cee-4d80-9530-b352abb89a53 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-98e0c2cb-2cee-4d80-9530-b352abb89a53 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-lammps-stage-e49e393b-346a-4f84-b73a-2bfcb4efe268 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-e49e393b-346a-4f84-b73a-2bfcb4efe268 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 {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-start-b8e4cc4b-27a7-4ccd-a2da-19f3d67a85b6 out}} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-stage-start-b8e4cc4b-27a7-4ccd-a2da-19f3d67a85b6 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-b8e4cc4b-27a7-4ccd-a2da-19f3d67a85b6 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-start-b8e4cc4b-27a7-4ccd-a2da-19f3d67a85b6,md-lammps-stage-e49e393b-346a-4f84-b73a-2bfcb4efe268 1 md-lammps-stage-e49e393b-346a-4f84-b73a-2bfcb4efe268,md-lammps-stage-98e0c2cb-2cee-4d80-9530-b352abb89a53 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-oval-4a43d309-d3db-4fa3-83c0-436182b52968 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-4a43d309-d3db-4fa3-83c0-436182b52968 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-e49e393b-346a-4f84-b73a-2bfcb4efe268} } md-flowchart-circle1-577cf793-4410-4f0f-ab7f-00a36a06b2c8 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-577cf793-4410-4f0f-ab7f-00a36a06b2c8 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-b8e4cc4b-27a7-4ccd-a2da-19f3d67a85b6} } md-flowchart-rectangle-ab1c2d33-4712-4e50-9390-e02667e62582 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-ab1c2d33-4712-4e50-9390-e02667e62582 Options {-height 120 -selected 0 -description {Temp: $T Time: 1000 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 10 ps} -fill LightBlue -x 110 -width 160 -y 234 -title NVT -stage md-lammps-stage-98e0c2cb-2cee-4d80-9530-b352abb89a53} } } Connections { md-flowchart-oval-4a43d309-d3db-4fa3-83c0-436182b52968,md-flowchart-rectangle-ab1c2d33-4712-4e50-9390-e02667e62582 48 md-flowchart-circle1-577cf793-4410-4f0f-ab7f-00a36a06b2c8,md-flowchart-oval-4a43d309-d3db-4fa3-83c0-436182b52968 52 } } } } md-stage-variables-570ac1f4-1d0b-4081-b9ec-55ae462c2b93 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-570ac1f4-1d0b-4081-b9ec-55ae462c2b93 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-start-e5918123-63ab-4d52-a6a6-66ef9001216d {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-e5918123-63ab-4d52-a6a6-66ef9001216d 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 .} } } Connections { md-stage-start-e5918123-63ab-4d52-a6a6-66ef9001216d,md-stage-variables-570ac1f4-1d0b-4081-b9ec-55ae462c2b93 1 md-stage-variables-570ac1f4-1d0b-4081-b9ec-55ae462c2b93,md-lammps-stage-20dc3a11-8158-44cd-9aad-0468b0597af8 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-414dcb5a-4a9b-4fc8-aeef-659575c82aad ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-414dcb5a-4a9b-4fc8-aeef-659575c82aad Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-20dc3a11-8158-44cd-9aad-0468b0597af8} } md-flowchart-oval-a71d13d5-074e-454c-a115-05144278750e ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-a71d13d5-074e-454c-a115-05144278750e 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-570ac1f4-1d0b-4081-b9ec-55ae462c2b93} } md-flowchart-circle1-215814c6-d5cd-48c4-b6cf-5a02903b5f78 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-215814c6-d5cd-48c4-b6cf-5a02903b5f78 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-e5918123-63ab-4d52-a6a6-66ef9001216d} } } Connections { md-flowchart-circle1-215814c6-d5cd-48c4-b6cf-5a02903b5f78,md-flowchart-oval-a71d13d5-074e-454c-a115-05144278750e 164 md-flowchart-oval-a71d13d5-074e-454c-a115-05144278750e,md-flowchart-rectangle-414dcb5a-4a9b-4fc8-aeef-659575c82aad 170 } } } 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 {0.00400401 0.952645 0.0508623} Si1 1 0.0 -1 14 {} Si 0.0 {0.0134226 0.949697 0.283593} Si2 2 0.0 -1 14 {} Si 0.0 {0.00360408 0.978914 0.122444} Si3 3 0.0 -1 14 {} Si 0.0 {0.0139267 0.975451 0.201557} Si4 4 0.0 -1 8 {} O 0.0 {0.00302721 0.94033 0.0926537} O1 5 0.0 -1 8 {} O 0.0 {0.0131484 0.96094 0.23308} O2 6 0.0 -1 8 {} O 0.0 {0.00288982 0.964865 0.0960425} O3 7 0.0 -1 8 {} O 0.0 {0.0151469 0.986172 0.252399} O4 8 0.0 -1 8 {} O 0.0 {0.0189604 0.975176 0.156817} O5 9 0.0 -1 8 {} O 0.0 {0.00885574 0.978359 0.163313} O6 10 0.0 -1 8 {} O 0.0 {0.00845409 0.95317 0.329959} O7 11 0.0 -1 8 {} O 0.0 {0.997965 0.949866 0.308498} O8 12 0.0 -1 14 {} Si 0.0 {0.00277338 0.953983 0.355356} Si5 13 0.0 -1 14 {} Si 0.0 {0.0144796 0.949812 0.603273} Si6 14 0.0 -1 14 {} Si 0.0 {0.00341786 0.977526 0.450335} Si7 15 0.0 -1 14 {} Si 0.0 {0.0140819 0.975353 0.526351} Si8 16 0.0 -1 8 {} O 0.0 {0.00269952 0.942418 0.399765} O9 17 0.0 -1 8 {} O 0.0 {0.0145125 0.960415 0.549437} O10 18 0.0 -1 8 {} O 0.0 {0.00215613 0.967205 0.396705} O11 19 0.0 -1 8 {} O 0.0 {0.0141235 0.985267 0.585084} O12 20 0.0 -1 8 {} O 0.0 {0.0196522 0.977632 0.482692} O13 21 0.0 -1 8 {} O 0.0 {0.00929658 0.977142 0.48001} O14 22 0.0 -1 8 {} O 0.0 {0.00942682 0.953993 0.643989} O15 23 0.0 -1 8 {} O 0.0 {0.999733 0.953052 0.686031} O16 24 0.0 -1 14 {} Si 0.0 {0.00599796 0.953914 0.707905} Si9 25 0.0 -1 14 {} Si 0.0 {0.0152176 0.952076 0.980918} Si10 26 0.0 -1 14 {} Si 0.0 {0.00514292 0.978123 0.796599} Si11 27 0.0 -1 14 {} Si 0.0 {0.0141585 0.977191 0.901275} Si12 28 0.0 -1 8 {} O 0.0 {0.00880362 0.943121 0.750231} O17 29 0.0 -1 8 {} O 0.0 {0.014719 0.963468 0.932821} O18 30 0.0 -1 8 {} O 0.0 {0.00673056 0.966698 0.747849} O19 31 0.0 -1 8 {} O 0.0 {0.0135423 0.989135 0.949072} O20 32 0.0 -1 8 {} O 0.0 {0.0193254 0.978727 0.859009} O21 33 0.0 -1 8 {} O 0.0 {0.00903303 0.977102 0.854546} O22 34 0.0 -1 8 {} O 0.0 {0.0101537 0.951611 0.0309381} O23 35 0.0 -1 8 {} O 0.0 {4.32391e-005 0.952591 0.992109} O24 36 0.0 -1 14 {} Si 0.0 {0.0037749 0.00416829 0.048702} Si13 37 0.0 -1 14 {} Si 0.0 {0.014206 0.999079 0.292295} Si14 38 0.0 -1 14 {} Si 0.0 {0.00348883 0.0299617 0.126304} Si15 39 0.0 -1 14 {} Si 0.0 {0.0134559 0.0236283 0.211467} Si16 40 0.0 -1 8 {} O 0.0 {0.00393931 0.989857 0.0721391} O25 41 0.0 -1 8 {} O 0.0 {0.0126397 0.0100853 0.241009} O26 42 0.0 -1 8 {} O 0.0 {0.00307818 0.0149311 0.103536} O27 43 0.0 -1 8 {} O 0.0 {0.0141545 0.0345357 0.261626} O28 44 0.0 -1 8 {} O 0.0 {0.0183912 0.0232894 0.165728} O29 45 0.0 -1 8 {} O 0.0 {0.00860285 0.0290646 0.166772} O30 46 0.0 -1 8 {} O 0.0 {0.00925079 0.998109 0.341796} O31 47 0.0 -1 8 {} O 0.0 {0.999255 0.000235104 0.319857} O32 48 0.0 -1 14 {} Si 0.0 {0.00378794 0.00200206 0.371387} Si17 49 0.0 -1 14 {} Si 0.0 {0.014323 0.999296 0.614488} Si18 50 0.0 -1 14 {} Si 0.0 {0.00429607 0.0265327 0.450418} Si19 51 0.0 -1 14 {} Si 0.0 {0.0146517 0.0237199 0.531346} Si20 52 0.0 -1 8 {} O 0.0 {0.00271821 0.99167 0.426203} O33 53 0.0 -1 8 {} O 0.0 {0.0152071 0.010145 0.565847} O34 54 0.0 -1 8 {} O 0.0 {0.00379558 0.0161463 0.392703} O35 55 0.0 -1 8 {} O 0.0 {0.0142213 0.034903 0.581878} O36 56 0.0 -1 8 {} O 0.0 {0.0198305 0.0266302 0.490786} O37 57 0.0 -1 8 {} O 0.0 {0.00970226 0.0240455 0.484782} O38 58 0.0 -1 8 {} O 0.0 {0.00883236 0.00260061 0.650371} O39 59 0.0 -1 8 {} O 0.0 {0.999032 0.00221181 0.683127} O40 60 0.0 -1 14 {} Si 0.0 {0.00490815 0.00277447 0.708645} Si21 61 0.0 -1 14 {} Si 0.0 {0.0137325 0.00384262 0.971569} Si22 62 0.0 -1 14 {} Si 0.0 {0.0042509 0.0273281 0.789847} Si23 63 0.0 -1 14 {} Si 0.0 {0.0141386 0.0267367 0.881007} Si24 64 0.0 -1 8 {} O 0.0 {0.00595528 0.991774 0.758765} O41 65 0.0 -1 8 {} O 0.0 {0.0140502 0.0127226 0.910411} O42 66 0.0 -1 8 {} O 0.0 {0.00598292 0.0163285 0.740363} O43 67 0.0 -1 8 {} O 0.0 {0.0142672 0.0380062 0.930318} O44 68 0.0 -1 8 {} O 0.0 {0.0182836 0.0292841 0.823828} O45 69 0.0 -1 8 {} O 0.0 {0.00878278 0.0290482 0.84423} O46 70 0.0 -1 8 {} O 0.0 {0.00901122 0.00824882 0.0128567} O47 71 0.0 -1 8 {} O 0.0 {0.999089 0.00501761 0.996574} O48 72 0.0 -1 14 {} Si 0.0 {0.00369891 0.0535494 0.0334752} Si25 73 0.0 -1 14 {} Si 0.0 {0.0142231 0.0495667 0.287154} Si26 74 0.0 -1 14 {} Si 0.0 {0.00434323 0.0777555 0.116936} Si27 75 0.0 -1 14 {} Si 0.0 {0.014171 0.0736248 0.199771} Si28 76 0.0 -1 8 {} O 0.0 {0.00393644 0.0402179 0.069646} O49 77 0.0 -1 8 {} O 0.0 {0.0154368 0.0597372 0.231419} O50 78 0.0 -1 8 {} O 0.0 {0.00463763 0.0682285 0.0585726} O51 79 0.0 -1 8 {} O 0.0 {0.0135312 0.0811987 0.265456} O52 80 0.0 -1 8 {} O 0.0 {0.0183254 0.0801115 0.149897} O53 81 0.0 -1 8 {} O 0.0 {0.00854154 0.074206 0.166516} O54 82 0.0 -1 8 {} O 0.0 {0.00877478 0.0533691 0.317709} O55 83 0.0 -1 8 {} O 0.0 {0.998761 0.0519115 0.337424} O56 84 0.0 -1 14 {} Si 0.0 {0.00448349 0.0524438 0.36791} Si29 85 0.0 -1 14 {} Si 0.0 {0.0142904 0.0486316 0.617669} Si30 86 0.0 -1 14 {} Si 0.0 {0.00360001 0.077308 0.455908} Si31 87 0.0 -1 14 {} Si 0.0 {0.0137747 0.0733034 0.533489} Si32 88 0.0 -1 8 {} O 0.0 {0.00453039 0.040412 0.418966} O57 89 0.0 -1 8 {} O 0.0 {0.0132592 0.0591448 0.562058} O58 90 0.0 -1 8 {} O 0.0 {0.00485368 0.0666878 0.402675} O59 91 0.0 -1 8 {} O 0.0 {0.0157532 0.0823895 0.591853} O60 92 0.0 -1 8 {} O 0.0 {0.0177478 0.0759974 0.475224} O61 93 0.0 -1 8 {} O 0.0 {0.00800429 0.0780332 0.508618} O62 94 0.0 -1 8 {} O 0.0 {0.0092376 0.0518423 0.662233} O63 95 0.0 -1 8 {} O 0.0 {0.999513 0.0549979 0.66859} O64 96 0.0 -1 14 {} Si 0.0 {0.00469126 0.052966 0.711668} Si33 97 0.0 -1 14 {} Si 0.0 {0.0141158 0.0525681 0.952249} Si34 98 0.0 -1 14 {} Si 0.0 {0.00439977 0.0782628 0.789083} Si35 99 0.0 -1 14 {} Si 0.0 {0.0143624 0.0787423 0.87455} Si36 100 0.0 -1 8 {} O 0.0 {0.00318523 0.0411218 0.756467} O65 101 0.0 -1 8 {} O 0.0 {0.0152412 0.0644794 0.903448} O66 102 0.0 -1 8 {} O 0.0 {0.00594739 0.066071 0.750845} O67 103 0.0 -1 8 {} O 0.0 {0.0154914 0.0903968 0.923237} O68 104 0.0 -1 8 {} O 0.0 {0.0188237 0.0820072 0.82299} O69 105 0.0 -1 8 {} O 0.0 {0.00909266 0.0811728 0.834224} O70 106 0.0 -1 8 {} O 0.0 {0.00812837 0.0536797 0.977672} O71 107 0.0 -1 8 {} O 0.0 {0.99858 0.0561314 0.991245} O72 108 0.0 -1 14 {} Si 0.0 {0.0255285 0.951392 0.0628819} Si37 109 0.0 -1 14 {} Si 0.0 {0.0340568 0.95375 0.261725} Si38 110 0.0 -1 14 {} Si 0.0 {0.0244914 0.97843 0.130485} Si39 111 0.0 -1 14 {} Si 0.0 {0.0346972 0.981756 0.210113} Si40 112 0.0 -1 8 {} O 0.0 {0.0260298 0.941591 0.121372} O73 113 0.0 -1 8 {} O 0.0 {0.0354149 0.968193 0.246776} O74 114 0.0 -1 8 {} O 0.0 {0.0264503 0.96507 0.0996876} O75 115 0.0 -1 8 {} O 0.0 {0.0358635 0.993231 0.256127} O76 116 0.0 -1 8 {} O 0.0 {0.0382885 0.982238 0.151401} O77 117 0.0 -1 8 {} O 0.0 {0.0289042 0.981786 0.181686} O78 118 0.0 -1 8 {} O 0.0 {0.0284986 0.950911 0.29691} O79 119 0.0 -1 8 {} O 0.0 {0.0184378 0.950031 0.325625} O80 120 0.0 -1 14 {} Si 0.0 {0.0243643 0.950813 0.349987} Si41 121 0.0 -1 14 {} Si 0.0 {0.0327454 0.947957 0.636251} Si42 122 0.0 -1 14 {} Si 0.0 {0.0249662 0.974483 0.446987} Si43 123 0.0 -1 14 {} Si 0.0 {0.0340047 0.973899 0.55222} Si44 124 0.0 -1 8 {} O 0.0 {0.0245935 0.937971 0.388152} O81 125 0.0 -1 8 {} O 0.0 {0.0337618 0.961084 0.59742} O82 126 0.0 -1 8 {} O 0.0 {0.0252078 0.961348 0.406542} O83 127 0.0 -1 8 {} O 0.0 {0.0326055 0.986776 0.590454} O84 128 0.0 -1 8 {} O 0.0 {0.0393715 0.974041 0.513802} O85 129 0.0 -1 8 {} O 0.0 {0.029109 0.972095 0.507479} O86 130 0.0 -1 8 {} O 0.0 {0.028641 0.949132 0.693845} O87 131 0.0 -1 8 {} O 0.0 {0.0192127 0.95285 0.650176} O88 132 0.0 -1 14 {} Si 0.0 {0.0224321 0.953107 0.715133} Si45 133 0.0 -1 14 {} Si 0.0 {0.034695 0.952396 0.966993} Si46 134 0.0 -1 14 {} Si 0.0 {0.0237578 0.976899 0.803702} Si47 135 0.0 -1 14 {} Si 0.0 {0.0345462 0.975064 0.874013} Si48 136 0.0 -1 8 {} O 0.0 {0.0190574 0.943486 0.751447} O89 137 0.0 -1 8 {} O 0.0 {0.0345926 0.966283 0.937582} O90 138 0.0 -1 8 {} O 0.0 {0.0224711 0.965859 0.756186} O91 139 0.0 -1 8 {} O 0.0 {0.03487 0.989731 0.897097} O92 140 0.0 -1 8 {} O 0.0 {0.0394022 0.971426 0.831663} O93 141 0.0 -1 8 {} O 0.0 {0.0288921 0.974226 0.841207} O94 142 0.0 -1 8 {} O 0.0 {0.030387 0.948724 0.0173703} O95 143 0.0 -1 8 {} O 0.0 {0.0203496 0.951801 0.0226105} O96 144 0.0 -1 14 {} Si 0.0 {0.0246231 0.00402332 0.0417548} Si49 145 0.0 -1 14 {} Si 0.0 {0.0349995 0.00627506 0.293535} Si50 146 0.0 -1 14 {} Si 0.0 {0.0237925 0.026765 0.13287} Si51 147 0.0 -1 14 {} Si 0.0 {0.0339455 0.0311822 0.205084} Si52 148 0.0 -1 8 {} O 0.0 {0.0238976 0.991557 0.0866885} O97 149 0.0 -1 8 {} O 0.0 {0.0348878 0.0176999 0.240763} O98 150 0.0 -1 8 {} O 0.0 {0.025762 0.0154965 0.0883611} O99 151 0.0 -1 8 {} O 0.0 {0.0351144 0.0434885 0.245456} O100 152 0.0 -1 8 {} O 0.0 {0.0380405 0.0299599 0.141188} O101 153 0.0 -1 8 {} O 0.0 {0.0281036 0.0308471 0.182017} O102 154 0.0 -1 8 {} O 0.0 {0.0295172 0.00605968 0.327058} O103 155 0.0 -1 8 {} O 0.0 {0.0191575 0.00160331 0.334132} O104 156 0.0 -1 14 {} Si 0.0 {0.024871 9.35327e-005 0.366545} Si53 157 0.0 -1 14 {} Si 0.0 {0.0342565 0.999301 0.628619} Si54 158 0.0 -1 14 {} Si 0.0 {0.0250277 0.0247822 0.452572} Si55 159 0.0 -1 14 {} Si 0.0 {0.0342295 0.0260017 0.551861} Si56 160 0.0 -1 8 {} O 0.0 {0.0262146 0.986196 0.398342} O105 161 0.0 -1 8 {} O 0.0 {0.0348103 0.0121949 0.587348} O106 162 0.0 -1 8 {} O 0.0 {0.0248628 0.0100194 0.424751} O107 163 0.0 -1 8 {} O 0.0 {0.0324636 0.0381272 0.591496} O108 164 0.0 -1 8 {} O 0.0 {0.0399074 0.0287509 0.525409} O109 165 0.0 -1 8 {} O 0.0 {0.0300756 0.0244869 0.496739} O110 166 0.0 -1 8 {} O 0.0 {0.0294251 0.000774001 0.67603} O111 167 0.0 -1 8 {} O 0.0 {0.0191255 0.99895 0.666295} O112 168 0.0 -1 14 {} Si 0.0 {0.0240632 0.00130434 0.711555} Si57 169 0.0 -1 14 {} Si 0.0 {0.034574 0.00120739 0.951999} Si58 170 0.0 -1 14 {} Si 0.0 {0.0234535 0.0273582 0.7815} Si59 171 0.0 -1 14 {} Si 0.0 {0.0332374 0.0269779 0.870637} Si60 172 0.0 -1 8 {} O 0.0 {0.0238055 0.990032 0.763145} O113 173 0.0 -1 8 {} O 0.0 {0.0345083 0.014873 0.915927} O114 174 0.0 -1 8 {} O 0.0 {0.0226448 0.0154742 0.734568} O115 175 0.0 -1 8 {} O 0.0 {0.033405 0.0397716 0.909594} O116 176 0.0 -1 8 {} O 0.0 {0.0375004 0.0272115 0.816937} O117 177 0.0 -1 8 {} O 0.0 {0.0276844 0.0249369 0.836274} O118 178 0.0 -1 8 {} O 0.0 {0.0293589 0.0020308 0.995775} O119 179 0.0 -1 8 {} O 0.0 {0.0192342 0.00540367 0.00691213} O120 180 0.0 -1 14 {} Si 0.0 {0.0234726 0.0513324 0.0457498} Si61 181 0.0 -1 14 {} Si 0.0 {0.0339098 0.056072 0.284866} Si62 182 0.0 -1 14 {} Si 0.0 {0.0231768 0.0784357 0.104139} Si63 183 0.0 -1 14 {} Si 0.0 {0.0336482 0.0787441 0.179298} Si64 184 0.0 -1 8 {} O 0.0 {0.0221559 0.0393405 0.0895526} O121 185 0.0 -1 8 {} O 0.0 {0.0337251 0.0686497 0.241295} O122 186 0.0 -1 8 {} O 0.0 {0.0244639 0.063406 0.092484} O123 187 0.0 -1 8 {} O 0.0 {0.0358551 0.0921895 0.208985} O124 188 0.0 -1 8 {} O 0.0 {0.038457 0.0763703 0.129} O125 189 0.0 -1 8 {} O 0.0 {0.0279872 0.0835403 0.145638} O126 190 0.0 -1 8 {} O 0.0 {0.0283689 0.0538673 0.317823} O127 191 0.0 -1 8 {} O 0.0 {0.0186765 0.0490478 0.339414} O128 192 0.0 -1 14 {} Si 0.0 {0.0241408 0.049273 0.369476} Si65 193 0.0 -1 14 {} Si 0.0 {0.0335544 0.0527231 0.614501} Si66 194 0.0 -1 14 {} Si 0.0 {0.0233874 0.0742186 0.44603} Si67 195 0.0 -1 14 {} Si 0.0 {0.033806 0.0764413 0.519675} Si68 196 0.0 -1 8 {} O 0.0 {0.0258291 0.036264 0.404005} O129 197 0.0 -1 8 {} O 0.0 {0.033756 0.0628249 0.555897} O130 198 0.0 -1 8 {} O 0.0 {0.0238004 0.0592822 0.428083} O131 199 0.0 -1 8 {} O 0.0 {0.0342829 0.0875439 0.574084} O132 200 0.0 -1 8 {} O 0.0 {0.0381949 0.0792617 0.467823} O133 201 0.0 -1 8 {} O 0.0 {0.0280906 0.0780404 0.492332} O134 202 0.0 -1 8 {} O 0.0 {0.0291077 0.0566894 0.66354} O135 203 0.0 -1 8 {} O 0.0 {0.0195696 0.0512441 0.655166} O136 204 0.0 -1 14 {} Si 0.0 {0.0242638 0.0528289 0.70527} Si69 205 0.0 -1 14 {} Si 0.0 {0.0331642 0.0518823 0.956961} Si70 206 0.0 -1 14 {} Si 0.0 {0.023736 0.0781041 0.779403} Si71 207 0.0 -1 14 {} Si 0.0 {0.0339057 0.0769003 0.870363} Si72 208 0.0 -1 8 {} O 0.0 {0.0251829 0.0392269 0.739198} O137 209 0.0 -1 8 {} O 0.0 {0.0333468 0.0653515 0.920349} O138 210 0.0 -1 8 {} O 0.0 {0.0229862 0.06369 0.754826} O139 211 0.0 -1 8 {} O 0.0 {0.0341211 0.0904036 0.914072} O140 212 0.0 -1 8 {} O 0.0 {0.0393885 0.0782673 0.832562} O141 213 0.0 -1 8 {} O 0.0 {0.0289672 0.0787008 0.823125} O142 214 0.0 -1 8 {} O 0.0 {0.028011 0.0515668 0.995579} O143 215 0.0 -1 8 {} O 0.0 {0.018007 0.0544042 0.0106721} O144 216 0.0 -1 14 {} Si 0.0 {0.0444082 0.951576 0.0571786} Si73 217 0.0 -1 14 {} Si 0.0 {0.0523937 0.952466 0.285126} Si74 218 0.0 -1 14 {} Si 0.0 {0.0438986 0.979916 0.120552} Si75 219 0.0 -1 14 {} Si 0.0 {0.0530021 0.979352 0.221375} Si76 220 0.0 -1 8 {} O 0.0 {0.0417853 0.943048 0.108886} O145 221 0.0 -1 8 {} O 0.0 {0.0534799 0.967282 0.265635} O146 222 0.0 -1 8 {} O 0.0 {0.04417 0.965754 0.0879881} O147 223 0.0 -1 8 {} O 0.0 {0.0528578 0.993369 0.251571} O148 224 0.0 -1 8 {} O 0.0 {0.0579843 0.978021 0.172362} O149 225 0.0 -1 8 {} O 0.0 {0.0477513 0.976846 0.180193} O150 226 0.0 -1 8 {} O 0.0 {0.0481924 0.95204 0.342393} O151 227 0.0 -1 8 {} O 0.0 {0.0382443 0.948662 0.313657} O152 228 0.0 -1 14 {} Si 0.0 {0.0423341 0.951757 0.369162} Si77 229 0.0 -1 14 {} Si 0.0 {0.0541609 0.95005 0.609064} Si78 230 0.0 -1 14 {} Si 0.0 {0.0426443 0.977366 0.454017} Si79 231 0.0 -1 14 {} Si 0.0 {0.0535527 0.974505 0.525195} Si80 232 0.0 -1 8 {} O 0.0 {0.0412918 0.942439 0.425466} O153 233 0.0 -1 8 {} O 0.0 {0.0516609 0.962007 0.571198} O154 234 0.0 -1 8 {} O 0.0 {0.0412655 0.965708 0.403673} O155 235 0.0 -1 8 {} O 0.0 {0.053662 0.987421 0.567516} O156 236 0.0 -1 8 {} O 0.0 {0.0585297 0.96897 0.486626} O157 237 0.0 -1 8 {} O 0.0 {0.0485679 0.976216 0.480625} O158 238 0.0 -1 8 {} O 0.0 {0.0497422 0.947208 0.6639} O159 239 0.0 -1 8 {} O 0.0 {0.0373522 0.941624 0.661356} O160 240 0.0 -1 14 {} Si 0.0 {0.0449846 0.94626 0.713114} Si81 241 0.0 -1 14 {} Si 0.0 {0.0548836 0.948348 0.978835} Si82 242 0.0 -1 14 {} Si 0.0 {0.0442679 0.972648 0.790579} Si83 243 0.0 -1 14 {} Si 0.0 {0.0540803 0.971915 0.887283} Si84 244 0.0 -1 8 {} O 0.0 {0.0475865 0.939316 0.762105} O161 245 0.0 -1 8 {} O 0.0 {0.0536965 0.960049 0.931879} O162 246 0.0 -1 8 {} O 0.0 {0.0444514 0.960479 0.742572} O163 247 0.0 -1 8 {} O 0.0 {0.053084 0.985426 0.91897} O164 248 0.0 -1 8 {} O 0.0 {0.05919 0.972427 0.845574} O165 249 0.0 -1 8 {} O 0.0 {0.0490885 0.970024 0.840164} O166 250 0.0 -1 8 {} O 0.0 {0.0503402 0.94633 0.0284906} O167 251 0.0 -1 8 {} O 0.0 {0.0403162 0.949258 0.999536} O168 252 0.0 -1 14 {} Si 0.0 {0.0442963 0.0038192 0.0335669} Si85 253 0.0 -1 14 {} Si 0.0 {0.0532258 0.00415681 0.305152} Si86 254 0.0 -1 14 {} Si 0.0 {0.0440151 0.0287429 0.11642} Si87 255 0.0 -1 14 {} Si 0.0 {0.0537903 0.0270957 0.210245} Si88 256 0.0 -1 8 {} O 0.0 {0.0455339 0.992014 0.0805159} O169 257 0.0 -1 8 {} O 0.0 {0.0524058 0.0180086 0.271868} O170 258 0.0 -1 8 {} O 0.0 {0.0441313 0.0177012 0.068296} O171 259 0.0 -1 8 {} O 0.0 {0.0540291 0.0415843 0.23276} O172 260 0.0 -1 8 {} O 0.0 {0.0592273 0.0240498 0.176336} O173 261 0.0 -1 8 {} O 0.0 {0.0486162 0.0271616 0.167574} O174 262 0.0 -1 8 {} O 0.0 {0.0489084 0.000679151 0.354639} O175 263 0.0 -1 8 {} O 0.0 {0.039296 0.00915485 0.345216} O176 264 0.0 -1 14 {} Si 0.0 {0.0436915 0.00408255 0.390355} Si89 265 0.0 -1 14 {} Si 0.0 {0.0538624 4.98951e-005 0.612378} Si90 266 0.0 -1 14 {} Si 0.0 {0.0445751 0.029188 0.474461} Si91 267 0.0 -1 14 {} Si 0.0 {0.0547941 0.0266095 0.546034} Si92 268 0.0 -1 8 {} O 0.0 {0.0416765 0.989902 0.416844} O177 269 0.0 -1 8 {} O 0.0 {0.0538353 0.0126132 0.57237} O178 270 0.0 -1 8 {} O 0.0 {0.0448117 0.0151917 0.444007} O179 271 0.0 -1 8 {} O 0.0 {0.0549125 0.0364219 0.603978} O180 272 0.0 -1 8 {} O 0.0 {0.060188 0.0282621 0.510177} O181 273 0.0 -1 8 {} O 0.0 {0.0500599 0.0315547 0.505018} O182 274 0.0 -1 8 {} O 0.0 {0.0493128 0.00133078 0.663765} O183 275 0.0 -1 8 {} O 0.0 {0.0395553 0.995956 0.665438} O184 276 0.0 -1 14 {} Si 0.0 {0.0446585 0.997481 0.710978} Si93 277 0.0 -1 14 {} Si 0.0 {0.0538935 2.72667e-005 0.945092} Si94 278 0.0 -1 14 {} Si 0.0 {0.0428807 0.0237706 0.785487} Si95 279 0.0 -1 14 {} Si 0.0 {0.0536687 0.023835 0.86015} Si96 280 0.0 -1 8 {} O 0.0 {0.0455496 0.985813 0.757502} O185 281 0.0 -1 8 {} O 0.0 {0.0543277 0.00876375 0.884867} O186 282 0.0 -1 8 {} O 0.0 {0.0427459 0.00993736 0.750549} O187 283 0.0 -1 8 {} O 0.0 {0.0544977 0.0342531 0.914446} O188 284 0.0 -1 8 {} O 0.0 {0.0581601 0.0279108 0.808868} O189 285 0.0 -1 8 {} O 0.0 {0.048417 0.0233291 0.822565} O190 286 0.0 -1 8 {} O 0.0 {0.048374 0.004698 0.975589} O191 287 0.0 -1 8 {} O 0.0 {0.0388725 0.000229704 0.00379419} O192 288 0.0 -1 14 {} Si 0.0 {0.0438484 0.0523493 0.0295605} Si97 289 0.0 -1 14 {} Si 0.0 {0.0532938 0.0529479 0.283717} Si98 290 0.0 -1 14 {} Si 0.0 {0.0438477 0.0785246 0.097758} Si99 291 0.0 -1 14 {} Si 0.0 {0.0528946 0.0784535 0.197114} Si100 292 0.0 -1 8 {} O 0.0 {0.0451251 0.0427649 0.0854071} O193 293 0.0 -1 8 {} O 0.0 {0.0536537 0.0676421 0.252004} O194 294 0.0 -1 8 {} O 0.0 {0.0445665 0.0670905 0.0490433} O195 295 0.0 -1 8 {} O 0.0 {0.0507909 0.0912553 0.233863} O196 296 0.0 -1 8 {} O 0.0 {0.0586229 0.081199 0.166664} O197 297 0.0 -1 8 {} O 0.0 {0.0482427 0.0756664 0.148735} O198 298 0.0 -1 8 {} O 0.0 {0.0478133 0.0499029 0.31626} O199 299 0.0 -1 8 {} O 0.0 {0.0379415 0.0560997 0.341487} O200 300 0.0 -1 14 {} Si 0.0 {0.0436243 0.0517185 0.371281} Si101 301 0.0 -1 14 {} Si 0.0 {0.0544826 0.0504476 0.632402} Si102 302 0.0 -1 14 {} Si 0.0 {0.0441372 0.0775515 0.442254} Si103 303 0.0 -1 14 {} Si 0.0 {0.053013 0.0757494 0.546245} Si104 304 0.0 -1 8 {} O 0.0 {0.0432293 0.0392582 0.415185} O201 305 0.0 -1 8 {} O 0.0 {0.0546603 0.0612568 0.580489} O202 306 0.0 -1 8 {} O 0.0 {0.0450418 0.0641549 0.410173} O203 307 0.0 -1 8 {} O 0.0 {0.0524539 0.0880409 0.594701} O204 308 0.0 -1 8 {} O 0.0 {0.0580835 0.0791274 0.500371} O205 309 0.0 -1 8 {} O 0.0 {0.0481309 0.0784149 0.497855} O206 310 0.0 -1 8 {} O 0.0 {0.0486989 0.0530551 0.666011} O207 311 0.0 -1 8 {} O 0.0 {0.0388519 0.0520177 0.654428} O208 312 0.0 -1 14 {} Si 0.0 {0.0436484 0.0491823 0.702646} Si105 313 0.0 -1 14 {} Si 0.0 {0.0535836 0.0483445 0.941029} Si106 314 0.0 -1 14 {} Si 0.0 {0.043364 0.0748156 0.777718} Si107 315 0.0 -1 14 {} Si 0.0 {0.0536277 0.074834 0.857222} Si108 316 0.0 -1 8 {} O 0.0 {0.043595 0.0341098 0.72982} O209 317 0.0 -1 8 {} O 0.0 {0.0534101 0.0604535 0.890271} O210 318 0.0 -1 8 {} O 0.0 {0.0429168 0.0597791 0.759137} O211 319 0.0 -1 8 {} O 0.0 {0.0521819 0.0849713 0.913214} O212 320 0.0 -1 8 {} O 0.0 {0.0590883 0.0760056 0.820785} O213 321 0.0 -1 8 {} O 0.0 {0.0489559 0.0755751 0.806572} O214 322 0.0 -1 8 {} O 0.0 {0.0478886 0.0481051 0.971205} O215 323 0.0 -1 8 {} O 0.0 {0.0381989 0.0501653 0.999534} O216 324 0.0 -1 14 {} Si 0.0 {0.0648625 0.950635 0.0660896} Si109 325 0.0 -1 14 {} Si 0.0 {0.0734438 0.949569 0.257209} Si110 326 0.0 -1 14 {} Si 0.0 {0.0632923 0.977275 0.132927} Si111 327 0.0 -1 14 {} Si 0.0 {0.0733635 0.978534 0.218206} Si112 328 0.0 -1 8 {} O 0.0 {0.0673503 0.938224 0.107693} O217 329 0.0 -1 8 {} O 0.0 {0.0730793 0.965259 0.252338} O218 330 0.0 -1 8 {} O 0.0 {0.0637207 0.962405 0.112856} O219 331 0.0 -1 8 {} O 0.0 {0.0741844 0.989942 0.266235} O220 332 0.0 -1 8 {} O 0.0 {0.0780901 0.97882 0.172792} O221 333 0.0 -1 8 {} O 0.0 {0.0682644 0.980033 0.17482} O222 334 0.0 -1 8 {} O 0.0 {0.0681521 0.944747 0.292695} O223 335 0.0 -1 8 {} O 0.0 {0.0578067 0.947507 0.31273} O224 336 0.0 -1 14 {} Si 0.0 {0.0635869 0.950041 0.343839} Si113 337 0.0 -1 14 {} Si 0.0 {0.0732977 0.948192 0.615973} Si114 338 0.0 -1 14 {} Si 0.0 {0.0632821 0.972706 0.438217} Si115 339 0.0 -1 14 {} Si 0.0 {0.0727789 0.973424 0.539308} Si116 340 0.0 -1 8 {} O 0.0 {0.0628931 0.940671 0.399965} O225 341 0.0 -1 8 {} O 0.0 {0.071387 0.960816 0.57835} O226 342 0.0 -1 8 {} O 0.0 {0.0648968 0.962653 0.385228} O227 343 0.0 -1 8 {} O 0.0 {0.0725108 0.987139 0.575644} O228 344 0.0 -1 8 {} O 0.0 {0.0783274 0.971399 0.511211} O229 345 0.0 -1 8 {} O 0.0 {0.0684763 0.974691 0.480723} O230 346 0.0 -1 8 {} O 0.0 {0.0687796 0.945503 0.668159} O231 347 0.0 -1 8 {} O 0.0 {0.0586029 0.955345 0.651253} O232 348 0.0 -1 14 {} Si 0.0 {0.0635544 0.950924 0.702278} Si117 349 0.0 -1 14 {} Si 0.0 {0.0735103 0.949033 0.962025} Si118 350 0.0 -1 14 {} Si 0.0 {0.0637247 0.974375 0.793438} Si119 351 0.0 -1 14 {} Si 0.0 {0.0738968 0.973546 0.877956} Si120 352 0.0 -1 8 {} O 0.0 {0.0606554 0.938599 0.739222} O233 353 0.0 -1 8 {} O 0.0 {0.0720781 0.959789 0.910945} O234 354 0.0 -1 8 {} O 0.0 {0.0649617 0.962319 0.751402} O235 355 0.0 -1 8 {} O 0.0 {0.0738884 0.984405 0.931933} O236 356 0.0 -1 8 {} O 0.0 {0.0796033 0.973898 0.844072} O237 357 0.0 -1 8 {} O 0.0 {0.0693063 0.977711 0.825882} O238 358 0.0 -1 8 {} O 0.0 {0.069734 0.952552 0.0217139} O239 359 0.0 -1 8 {} O 0.0 {0.0599692 0.947367 0.0188492} O240 360 0.0 -1 14 {} Si 0.0 {0.063404 0.00168044 0.0370944} Si121 361 0.0 -1 14 {} Si 0.0 {0.0736351 0.00320465 0.306203} Si122 362 0.0 -1 14 {} Si 0.0 {0.0635631 0.0261429 0.125663} Si123 363 0.0 -1 14 {} Si 0.0 {0.0731871 0.0261786 0.21705} Si124 364 0.0 -1 8 {} O 0.0 {0.0628636 0.98824 0.0823595} O241 365 0.0 -1 8 {} O 0.0 {0.0718313 0.0143247 0.2615} O242 366 0.0 -1 8 {} O 0.0 {0.0641157 0.0136756 0.0826088} O243 367 0.0 -1 8 {} O 0.0 {0.0731241 0.0388847 0.254789} O244 368 0.0 -1 8 {} O 0.0 {0.07887 0.0234958 0.194499} O245 369 0.0 -1 8 {} O 0.0 {0.0691128 0.0267772 0.157747} O246 370 0.0 -1 8 {} O 0.0 {0.0691035 0.00023307 0.356644} O247 371 0.0 -1 8 {} O 0.0 {0.0586734 0.00451187 0.338785} O248 372 0.0 -1 14 {} Si 0.0 {0.0631535 0.000849566 0.385017} Si125 373 0.0 -1 14 {} Si 0.0 {0.0734781 0.999074 0.621092} Si126 374 0.0 -1 14 {} Si 0.0 {0.064882 0.0266476 0.45955} Si127 375 0.0 -1 14 {} Si 0.0 {0.0746501 0.0255048 0.541846} Si128 376 0.0 -1 8 {} O 0.0 {0.0620616 0.986367 0.409446} O249 377 0.0 -1 8 {} O 0.0 {0.0729326 0.0119847 0.57729} O250 378 0.0 -1 8 {} O 0.0 {0.0636329 0.0121162 0.437209} O251 379 0.0 -1 8 {} O 0.0 {0.07417 0.036145 0.598025} O252 380 0.0 -1 8 {} O 0.0 {0.0803329 0.0251184 0.512658} O253 381 0.0 -1 8 {} O 0.0 {0.0706035 0.0269528 0.484208} O254 382 0.0 -1 8 {} O 0.0 {0.0693051 0.997497 0.674669} O255 383 0.0 -1 8 {} O 0.0 {0.059246 0.998704 0.646896} O256 384 0.0 -1 14 {} Si 0.0 {0.063633 0.998722 0.703043} Si129 385 0.0 -1 14 {} Si 0.0 {0.0737999 0.999288 0.963511} Si130 386 0.0 -1 14 {} Si 0.0 {0.0637351 0.0243063 0.779155} Si131 387 0.0 -1 14 {} Si 0.0 {0.0729322 0.0236844 0.880379} Si132 388 0.0 -1 8 {} O 0.0 {0.0626727 0.986072 0.74689} O257 389 0.0 -1 8 {} O 0.0 {0.0746465 0.0102698 0.911389} O258 390 0.0 -1 8 {} O 0.0 {0.0629232 0.0107617 0.745984} O259 391 0.0 -1 8 {} O 0.0 {0.0729419 0.035145 0.934204} O260 392 0.0 -1 8 {} O 0.0 {0.0777523 0.0288089 0.836192} O261 393 0.0 -1 8 {} O 0.0 {0.0678728 0.0232524 0.8367} O262 394 0.0 -1 8 {} O 0.0 {0.0680728 0.999991 0.989529} O263 395 0.0 -1 8 {} O 0.0 {0.0582042 0.00261752 0.997705} O264 396 0.0 -1 14 {} Si 0.0 {0.0623877 0.0516546 0.0489558} Si133 397 0.0 -1 14 {} Si 0.0 {0.0731938 0.0525402 0.293119} Si134 398 0.0 -1 14 {} Si 0.0 {0.0631351 0.0781453 0.11547} Si135 399 0.0 -1 14 {} Si 0.0 {0.072331 0.0762021 0.20708} Si136 400 0.0 -1 8 {} O 0.0 {0.0619884 0.0385514 0.0880166} O265 401 0.0 -1 8 {} O 0.0 {0.0743494 0.0636186 0.246705} O266 402 0.0 -1 8 {} O 0.0 {0.0611556 0.065086 0.0825981} O267 403 0.0 -1 8 {} O 0.0 {0.0707672 0.0857011 0.268354} O268 404 0.0 -1 8 {} O 0.0 {0.0777692 0.0803437 0.174947} O269 405 0.0 -1 8 {} O 0.0 {0.0680474 0.0732832 0.1546} O270 406 0.0 -1 8 {} O 0.0 {0.0682978 0.055314 0.333276} O271 407 0.0 -1 8 {} O 0.0 {0.0580493 0.0505386 0.329789} O272 408 0.0 -1 14 {} Si 0.0 {0.0633686 0.051222 0.374857} Si137 409 0.0 -1 14 {} Si 0.0 {0.0735757 0.0508811 0.615832} Si138 410 0.0 -1 14 {} Si 0.0 {0.0627571 0.0761418 0.453891} Si139 411 0.0 -1 14 {} Si 0.0 {0.0735687 0.0742241 0.52439} Si140 412 0.0 -1 8 {} O 0.0 {0.063831 0.0379093 0.409835} O273 413 0.0 -1 8 {} O 0.0 {0.0740523 0.0606271 0.558069} O274 414 0.0 -1 8 {} O 0.0 {0.0620861 0.0626231 0.42432} O275 415 0.0 -1 8 {} O 0.0 {0.0746975 0.0848279 0.581146} O276 416 0.0 -1 8 {} O 0.0 {0.0776363 0.0767884 0.471411} O277 417 0.0 -1 8 {} O 0.0 {0.0677001 0.0769656 0.497161} O278 418 0.0 -1 8 {} O 0.0 {0.0692113 0.0538037 0.667421} O279 419 0.0 -1 8 {} O 0.0 {0.0590623 0.0542047 0.67674} O280 420 0.0 -1 14 {} Si 0.0 {0.0642987 0.0501308 0.711588} Si141 421 0.0 -1 14 {} Si 0.0 {0.0724777 0.0489171 0.964619} Si142 422 0.0 -1 14 {} Si 0.0 {0.0645826 0.0751924 0.784922} Si143 423 0.0 -1 14 {} Si 0.0 {0.0732174 0.0737761 0.883635} Si144 424 0.0 -1 8 {} O 0.0 {0.0652355 0.0358353 0.736587} O281 425 0.0 -1 8 {} O 0.0 {0.0716973 0.060936 0.918136} O282 426 0.0 -1 8 {} O 0.0 {0.0651612 0.0605744 0.769553} O283 427 0.0 -1 8 {} O 0.0 {0.0769744 0.0885269 0.94649} O284 428 0.0 -1 8 {} O 0.0 {0.0779506 0.0714583 0.835451} O285 429 0.0 -1 8 {} O 0.0 {0.0688917 0.0777632 0.834198} O286 430 0.0 -1 8 {} O 0.0 {0.0677756 0.0500889 0.0102764} O287 431 0.0 -1 8 {} O 0.0 {0.0578161 0.0509349 0.99953} O288 432 0.0 -1 14 {} Si 0.0 {0.0832792 0.954258 0.0450669} Si145 433 0.0 -1 14 {} Si 0.0 {0.0940969 0.953287 0.283494} Si146 434 0.0 -1 14 {} Si 0.0 {0.0836309 0.978533 0.134024} Si147 435 0.0 -1 14 {} Si 0.0 {0.0943896 0.978522 0.205127} Si148 436 0.0 -1 8 {} O 0.0 {0.0817671 0.945371 0.0993183} O289 437 0.0 -1 8 {} O 0.0 {0.0957891 0.966077 0.247279} O290 438 0.0 -1 8 {} O 0.0 {0.0835909 0.967989 0.0778315} O291 439 0.0 -1 8 {} O 0.0 {0.0940918 0.991839 0.244079} O292 440 0.0 -1 8 {} O 0.0 {0.098087 0.977322 0.147188} O293 441 0.0 -1 8 {} O 0.0 {0.0885094 0.974622 0.175122} O294 442 0.0 -1 8 {} O 0.0 {0.0885115 0.953992 0.3116} O295 443 0.0 -1 8 {} O 0.0 {0.0783893 0.94707 0.304655} O296 444 0.0 -1 14 {} Si 0.0 {0.0829704 0.952195 0.348893} Si149 445 0.0 -1 14 {} Si 0.0 {0.0936134 0.951756 0.610817} Si150 446 0.0 -1 14 {} Si 0.0 {0.082645 0.974318 0.456731} Si151 447 0.0 -1 14 {} Si 0.0 {0.0930711 0.977438 0.538051} Si152 448 0.0 -1 8 {} O 0.0 {0.0842447 0.939938 0.384411} O297 449 0.0 -1 8 {} O 0.0 {0.0940524 0.96505 0.578313} O298 450 0.0 -1 8 {} O 0.0 {0.0817463 0.962484 0.409364} O299 451 0.0 -1 8 {} O 0.0 {0.091803 0.988269 0.590211} O300 452 0.0 -1 8 {} O 0.0 {0.0979057 0.979338 0.49505} O301 453 0.0 -1 8 {} O 0.0 {0.0880609 0.975161 0.494941} O302 454 0.0 -1 8 {} O 0.0 {0.0883955 0.948919 0.64819} O303 455 0.0 -1 8 {} O 0.0 {0.0779308 0.951953 0.660185} O304 456 0.0 -1 14 {} Si 0.0 {0.0834721 0.950693 0.696745} Si153 457 0.0 -1 14 {} Si 0.0 {0.093044 0.950818 0.962646} Si154 458 0.0 -1 14 {} Si 0.0 {0.0841649 0.973837 0.793124} Si155 459 0.0 -1 14 {} Si 0.0 {0.0937346 0.975893 0.877394} Si156 460 0.0 -1 8 {} O 0.0 {0.083021 0.935853 0.727861} O305 461 0.0 -1 8 {} O 0.0 {0.0936289 0.963782 0.922064} O306 462 0.0 -1 8 {} O 0.0 {0.08376 0.959332 0.758044} O307 463 0.0 -1 8 {} O 0.0 {0.0922296 0.988142 0.917942} O308 464 0.0 -1 8 {} O 0.0 {0.0994491 0.977354 0.851533} O309 465 0.0 -1 8 {} O 0.0 {0.0898787 0.973213 0.820897} O310 466 0.0 -1 8 {} O 0.0 {0.0890882 0.951974 0.0182239} O311 467 0.0 -1 8 {} O 0.0 {0.0791672 0.951392 0.989867} O312 468 0.0 -1 14 {} Si 0.0 {0.0837244 0.00291455 0.0518189} Si157 469 0.0 -1 14 {} Si 0.0 {0.09272 0.00269023 0.29301} Si158 470 0.0 -1 14 {} Si 0.0 {0.0830315 0.0267954 0.13913} Si159 471 0.0 -1 14 {} Si 0.0 {0.0931618 0.027143 0.211114} Si160 472 0.0 -1 8 {} O 0.0 {0.0848746 0.991664 0.102231} O313 473 0.0 -1 8 {} O 0.0 {0.0912302 0.0161982 0.260537} O314 474 0.0 -1 8 {} O 0.0 {0.0835152 0.0154957 0.0905114} O315 475 0.0 -1 8 {} O 0.0 {0.0951042 0.0399871 0.248904} O316 476 0.0 -1 8 {} O 0.0 {0.0974673 0.0236474 0.162273} O317 477 0.0 -1 8 {} O 0.0 {0.0882997 0.0314518 0.170295} O318 478 0.0 -1 8 {} O 0.0 {0.0878072 0.998556 0.334375} O319 479 0.0 -1 8 {} O 0.0 {0.0788884 0.00655871 0.34626} O320 480 0.0 -1 14 {} Si 0.0 {0.0834459 0.000746744 0.385463} Si161 481 0.0 -1 14 {} Si 0.0 {0.0928899 0.000799688 0.629524} Si162 482 0.0 -1 14 {} Si 0.0 {0.0849531 0.025223 0.465207} Si163 483 0.0 -1 14 {} Si 0.0 {0.0948339 0.0266614 0.549652} Si164 484 0.0 -1 8 {} O 0.0 {0.0820867 0.986284 0.411909} O321 485 0.0 -1 8 {} O 0.0 {0.0934052 0.0136038 0.587739} O322 486 0.0 -1 8 {} O 0.0 {0.0854411 0.0105857 0.438534} O323 487 0.0 -1 8 {} O 0.0 {0.0956314 0.0394566 0.589714} O324 488 0.0 -1 8 {} O 0.0 {0.0997921 0.0237203 0.507098} O325 489 0.0 -1 8 {} O 0.0 {0.0902344 0.029557 0.50241} O326 490 0.0 -1 8 {} O 0.0 {0.0887162 0.00279523 0.683608} O327 491 0.0 -1 8 {} O 0.0 {0.0790753 0.997457 0.656437} O328 492 0.0 -1 14 {} Si 0.0 {0.0831333 0.999573 0.713719} Si165 493 0.0 -1 14 {} Si 0.0 {0.0928872 0.00115988 0.951023} Si166 494 0.0 -1 14 {} Si 0.0 {0.0828934 0.0264166 0.7918} Si167 495 0.0 -1 14 {} Si 0.0 {0.0926378 0.0280168 0.878642} Si168 496 0.0 -1 8 {} O 0.0 {0.083181 0.98545 0.747331} O329 497 0.0 -1 8 {} O 0.0 {0.0930317 0.013096 0.905167} O330 498 0.0 -1 8 {} O 0.0 {0.0822515 0.0117625 0.760812} O331 499 0.0 -1 8 {} O 0.0 {0.0932263 0.0378307 0.934631} O332 500 0.0 -1 8 {} O 0.0 {0.0980083 0.0303268 0.841939} O333 501 0.0 -1 8 {} O 0.0 {0.0879626 0.0280262 0.831388} O334 502 0.0 -1 8 {} O 0.0 {0.0885494 0.0032448 0.00231522} O335 503 0.0 -1 8 {} O 0.0 {0.0785473 0.999636 0.0151513} O336 504 0.0 -1 14 {} Si 0.0 {0.0820669 0.0508447 0.0567296} Si169 505 0.0 -1 14 {} Si 0.0 {0.0933458 0.0516654 0.289748} Si170 506 0.0 -1 14 {} Si 0.0 {0.0822666 0.077941 0.126175} Si171 507 0.0 -1 14 {} Si 0.0 {0.0925077 0.0776842 0.214689} Si172 508 0.0 -1 8 {} O 0.0 {0.0805619 0.0386797 0.0971854} O337 509 0.0 -1 8 {} O 0.0 {0.0918569 0.0634712 0.244107} O338 510 0.0 -1 8 {} O 0.0 {0.0821242 0.0631712 0.100758} O339 511 0.0 -1 8 {} O 0.0 {0.0919199 0.0905576 0.257025} O340 512 0.0 -1 8 {} O 0.0 {0.0976722 0.0795134 0.171913} O341 513 0.0 -1 8 {} O 0.0 {0.0877028 0.0797582 0.169794} O342 514 0.0 -1 8 {} O 0.0 {0.0882702 0.0491954 0.330035} O343 515 0.0 -1 8 {} O 0.0 {0.0777326 0.0518774 0.346967} O344 516 0.0 -1 14 {} Si 0.0 {0.0832728 0.0492847 0.376909} Si173 517 0.0 -1 14 {} Si 0.0 {0.0938653 0.0522762 0.62211} Si174 518 0.0 -1 14 {} Si 0.0 {0.0831436 0.0762967 0.438467} Si175 519 0.0 -1 14 {} Si 0.0 {0.0925261 0.0768814 0.530825} Si176 520 0.0 -1 8 {} O 0.0 {0.083662 0.0362271 0.414889} O345 521 0.0 -1 8 {} O 0.0 {0.0937378 0.0644701 0.575068} O346 522 0.0 -1 8 {} O 0.0 {0.0843408 0.0614741 0.419428} O347 523 0.0 -1 8 {} O 0.0 {0.0925713 0.0899555 0.570379} O348 524 0.0 -1 8 {} O 0.0 {0.0968221 0.0788824 0.47772} O349 525 0.0 -1 8 {} O 0.0 {0.0871835 0.0791402 0.490018} O350 526 0.0 -1 8 {} O 0.0 {0.0883418 0.0506338 0.654464} O351 527 0.0 -1 8 {} O 0.0 {0.0786475 0.054599 0.658122} O352 528 0.0 -1 14 {} Si 0.0 {0.0835473 0.0498905 0.703729} Si177 529 0.0 -1 14 {} Si 0.0 {0.0920502 0.0510012 0.97117} Si178 530 0.0 -1 14 {} Si 0.0 {0.0826053 0.0737632 0.788738} Si179 531 0.0 -1 14 {} Si 0.0 {0.0915065 0.0747534 0.885985} Si180 532 0.0 -1 8 {} O 0.0 {0.0832416 0.0355005 0.732759} O353 533 0.0 -1 8 {} O 0.0 {0.0906887 0.061899 0.923929} O354 534 0.0 -1 8 {} O 0.0 {0.08385 0.060655 0.755167} O355 535 0.0 -1 8 {} O 0.0 {0.0911085 0.0852131 0.944558} O356 536 0.0 -1 8 {} O 0.0 {0.0973985 0.0771667 0.859635} O357 537 0.0 -1 8 {} O 0.0 {0.0873729 0.0780806 0.831401} O358 538 0.0 -1 8 {} O 0.0 {0.0879681 0.0501577 0.0268721} O359 539 0.0 -1 8 {} O 0.0 {0.0777403 0.0513284 0.00287253} O360 540 0.0 -1 14 {} Si 0.0 {0.103619 0.950567 0.0337243} Si181 541 0.0 -1 14 {} Si 0.0 {0.113381 0.952968 0.282715} Si182 542 0.0 -1 14 {} Si 0.0 {0.10357 0.976923 0.101357} Si183 543 0.0 -1 14 {} Si 0.0 {0.11305 0.977139 0.197061} Si184 544 0.0 -1 8 {} O 0.0 {0.104639 0.937719 0.0755139} O361 545 0.0 -1 8 {} O 0.0 {0.112485 0.963329 0.228518} O362 546 0.0 -1 8 {} O 0.0 {0.102833 0.962383 0.0780721} O363 547 0.0 -1 8 {} O 0.0 {0.113489 0.988411 0.247017} O364 548 0.0 -1 8 {} O 0.0 {0.118408 0.976886 0.157996} O365 549 0.0 -1 8 {} O 0.0 {0.108457 0.978402 0.14848} O366 550 0.0 -1 8 {} O 0.0 {0.108335 0.952005 0.325089} O367 551 0.0 -1 8 {} O 0.0 {0.0985282 0.952311 0.337652} O368 552 0.0 -1 14 {} Si 0.0 {0.103848 0.95352 0.376823} Si185 553 0.0 -1 14 {} Si 0.0 {0.112599 0.956217 0.608937} Si186 554 0.0 -1 14 {} Si 0.0 {0.103354 0.979122 0.460212} Si187 555 0.0 -1 14 {} Si 0.0 {0.113476 0.982766 0.545407} Si188 556 0.0 -1 8 {} O 0.0 {0.103317 0.941376 0.419853} O369 557 0.0 -1 8 {} O 0.0 {0.112947 0.971317 0.596964} O370 558 0.0 -1 8 {} O 0.0 {0.104392 0.965065 0.429944} O371 559 0.0 -1 8 {} O 0.0 {0.113152 0.995719 0.583551} O372 560 0.0 -1 8 {} O 0.0 {0.11852 0.979676 0.50716} O373 561 0.0 -1 8 {} O 0.0 {0.108092 0.981068 0.508484} O374 562 0.0 -1 8 {} O 0.0 {0.108156 0.954495 0.658864} O375 563 0.0 -1 8 {} O 0.0 {0.0980183 0.950082 0.661785} O376 564 0.0 -1 14 {} Si 0.0 {0.103143 0.953045 0.701259} Si189 565 0.0 -1 14 {} Si 0.0 {0.114051 0.954978 0.956839} Si190 566 0.0 -1 14 {} Si 0.0 {0.103693 0.976645 0.796234} Si191 567 0.0 -1 14 {} Si 0.0 {0.114541 0.979578 0.865381} Si192 568 0.0 -1 8 {} O 0.0 {0.10437 0.942019 0.74945} O377 569 0.0 -1 8 {} O 0.0 {0.114773 0.968871 0.921384} O378 570 0.0 -1 8 {} O 0.0 {0.10223 0.96466 0.7538} O379 571 0.0 -1 8 {} O 0.0 {0.114005 0.993827 0.888969} O380 572 0.0 -1 8 {} O 0.0 {0.119715 0.977622 0.82184} O381 573 0.0 -1 8 {} O 0.0 {0.10952 0.974515 0.831371} O382 574 0.0 -1 8 {} O 0.0 {0.108246 0.951925 0.982965} O383 575 0.0 -1 8 {} O 0.0 {0.0985782 0.946256 0.994013} O384 576 0.0 -1 14 {} Si 0.0 {0.103972 0.00189478 0.0219657} Si193 577 0.0 -1 14 {} Si 0.0 {0.113412 0.00243924 0.278803} Si194 578 0.0 -1 14 {} Si 0.0 {0.10242 0.0248622 0.116348} Si195 579 0.0 -1 14 {} Si 0.0 {0.112602 0.0265846 0.196248} Si196 580 0.0 -1 8 {} O 0.0 {0.104437 0.987777 0.052755} O385 581 0.0 -1 8 {} O 0.0 {0.11332 0.0122977 0.220743} O386 582 0.0 -1 8 {} O 0.0 {0.103802 0.0114502 0.0783805} O387 583 0.0 -1 8 {} O 0.0 {0.113344 0.0361919 0.254948} O388 584 0.0 -1 8 {} O 0.0 {0.1178 0.029172 0.152597} O389 585 0.0 -1 8 {} O 0.0 {0.107439 0.0290541 0.155526} O390 586 0.0 -1 8 {} O 0.0 {0.10754 0.00279588 0.31156} O391 587 0.0 -1 8 {} O 0.0 {0.0980459 0.00321399 0.333146} O392 588 0.0 -1 14 {} Si 0.0 {0.103537 0.00241356 0.367658} Si197 589 0.0 -1 14 {} Si 0.0 {0.112425 0.0077001 0.627217} Si198 590 0.0 -1 14 {} Si 0.0 {0.104172 0.0268453 0.45485} Si199 591 0.0 -1 14 {} Si 0.0 {0.113209 0.0324079 0.548789} Si200 592 0.0 -1 8 {} O 0.0 {0.103959 0.989019 0.404845} O393 593 0.0 -1 8 {} O 0.0 {0.111049 0.0206514 0.592662} O394 594 0.0 -1 8 {} O 0.0 {0.104852 0.0145907 0.410477} O395 595 0.0 -1 8 {} O 0.0 {0.112488 0.0461945 0.581774} O396 596 0.0 -1 8 {} O 0.0 {0.118887 0.0298624 0.520206} O397 597 0.0 -1 8 {} O 0.0 {0.109224 0.0325674 0.489598} O398 598 0.0 -1 8 {} O 0.0 {0.108402 0.00552044 0.684243} O399 599 0.0 -1 8 {} O 0.0 {0.0984483 0.99993 0.661687} O400 600 0.0 -1 14 {} Si 0.0 {0.102829 0.00244719 0.716383} Si201 601 0.0 -1 14 {} Si 0.0 {0.114231 0.00515978 0.938755} Si202 602 0.0 -1 14 {} Si 0.0 {0.102919 0.0272898 0.798423} Si203 603 0.0 -1 14 {} Si 0.0 {0.113794 0.0311132 0.870286} Si204 604 0.0 -1 8 {} O 0.0 {0.103228 0.989641 0.759125} O401 605 0.0 -1 8 {} O 0.0 {0.115549 0.0186944 0.911681} O402 606 0.0 -1 8 {} O 0.0 {0.101782 0.0130671 0.767482} O403 607 0.0 -1 8 {} O 0.0 {0.114013 0.0435226 0.913286} O404 608 0.0 -1 8 {} O 0.0 {0.117515 0.0334493 0.810473} O405 609 0.0 -1 8 {} O 0.0 {0.108284 0.0280692 0.839692} O406 610 0.0 -1 8 {} O 0.0 {0.108886 0.00449608 0.974842} O407 611 0.0 -1 8 {} O 0.0 {0.0984071 0.00284766 0.99067} O408 612 0.0 -1 14 {} Si 0.0 {0.102123 0.0511838 0.0514209} Si205 613 0.0 -1 14 {} Si 0.0 {0.112608 0.0506819 0.280754} Si206 614 0.0 -1 14 {} Si 0.0 {0.102271 0.0765752 0.125282} Si207 615 0.0 -1 14 {} Si 0.0 {0.112319 0.0770406 0.205244} Si208 616 0.0 -1 8 {} O 0.0 {0.101821 0.0363848 0.0669722} O409 617 0.0 -1 8 {} O 0.0 {0.112561 0.0619592 0.230864} O410 618 0.0 -1 8 {} O 0.0 {0.102803 0.0620931 0.105741} O411 619 0.0 -1 8 {} O 0.0 {0.112147 0.0844437 0.274525} O412 620 0.0 -1 8 {} O 0.0 {0.117938 0.0807054 0.176007} O413 621 0.0 -1 8 {} O 0.0 {0.10754 0.0802319 0.162963} O414 622 0.0 -1 8 {} O 0.0 {0.107962 0.0525155 0.330414} O415 623 0.0 -1 8 {} O 0.0 {0.0980979 0.0561563 0.333861} O416 624 0.0 -1 14 {} Si 0.0 {0.103021 0.0522953 0.376319} Si209 625 0.0 -1 14 {} Si 0.0 {0.112383 0.0589937 0.628923} Si210 626 0.0 -1 14 {} Si 0.0 {0.102401 0.0784005 0.445548} Si211 627 0.0 -1 14 {} Si 0.0 {0.111977 0.0827309 0.536819} Si212 628 0.0 -1 8 {} O 0.0 {0.102363 0.0389114 0.411495} O417 629 0.0 -1 8 {} O 0.0 {0.1117 0.0730601 0.599183} O418 630 0.0 -1 8 {} O 0.0 {0.103132 0.063913 0.424986} O419 631 0.0 -1 8 {} O 0.0 {0.113124 0.0980972 0.556898} O420 632 0.0 -1 8 {} O 0.0 {0.116745 0.0788016 0.495492} O421 633 0.0 -1 8 {} O 0.0 {0.106844 0.0826349 0.494888} O422 634 0.0 -1 8 {} O 0.0 {0.107587 0.058048 0.673944} O423 635 0.0 -1 8 {} O 0.0 {0.0975658 0.0540266 0.679708} O424 636 0.0 -1 14 {} Si 0.0 {0.102951 0.0529457 0.723324} Si213 637 0.0 -1 14 {} Si 0.0 {0.112095 0.0540552 0.961752} Si214 638 0.0 -1 14 {} Si 0.0 {0.102077 0.0763936 0.813328} Si215 639 0.0 -1 14 {} Si 0.0 {0.112135 0.0809473 0.889487} Si216 640 0.0 -1 8 {} O 0.0 {0.103768 0.0386603 0.750994} O425 641 0.0 -1 8 {} O 0.0 {0.111481 0.0676764 0.925241} O426 642 0.0 -1 8 {} O 0.0 {0.102284 0.0623884 0.781921} O427 643 0.0 -1 8 {} O 0.0 {0.111567 0.0922676 0.940845} O428 644 0.0 -1 8 {} O 0.0 {0.117702 0.0794239 0.855388} O429 645 0.0 -1 8 {} O 0.0 {0.107696 0.0820206 0.836839} O430 646 0.0 -1 8 {} O 0.0 {0.106825 0.0515314 0.999071} O431 647 0.0 -1 8 {} O 0.0 {0.0970052 0.055723 0.0134991} O432 648 0.0 -1 14 {} Si 0.0 {0.124737 0.953123 0.0279945} Si217 649 0.0 -1 14 {} Si 0.0 {0.13389 0.951679 0.279805} Si218 650 0.0 -1 14 {} Si 0.0 {0.123666 0.976827 0.118705} Si219 651 0.0 -1 14 {} Si 0.0 {0.133093 0.979003 0.220282} Si220 652 0.0 -1 8 {} O 0.0 {0.128186 0.942652 0.0622312} O433 653 0.0 -1 8 {} O 0.0 {0.135567 0.96483 0.251639} O434 654 0.0 -1 8 {} O 0.0 {0.123851 0.963849 0.0797637} O435 655 0.0 -1 8 {} O 0.0 {0.132148 0.990534 0.266533} O436 656 0.0 -1 8 {} O 0.0 {0.138217 0.983299 0.17607} O437 657 0.0 -1 8 {} O 0.0 {0.128524 0.977027 0.167323} O438 658 0.0 -1 8 {} O 0.0 {0.128243 0.954507 0.312807} O439 659 0.0 -1 8 {} O 0.0 {0.118163 0.959362 0.321466} O440 660 0.0 -1 14 {} Si 0.0 {0.123708 0.958192 0.361546} Si221 661 0.0 -1 14 {} Si 0.0 {0.132894 0.953818 0.606479} Si222 662 0.0 -1 14 {} Si 0.0 {0.123244 0.980693 0.459779} Si223 663 0.0 -1 14 {} Si 0.0 {0.133383 0.980941 0.544747} Si224 664 0.0 -1 8 {} O 0.0 {0.122603 0.944068 0.387574} O441 665 0.0 -1 8 {} O 0.0 {0.131961 0.969196 0.590842} O442 666 0.0 -1 8 {} O 0.0 {0.124428 0.968702 0.419747} O443 667 0.0 -1 8 {} O 0.0 {0.135122 0.994363 0.578785} O444 668 0.0 -1 8 {} O 0.0 {0.138489 0.977006 0.50624} O445 669 0.0 -1 8 {} O 0.0 {0.128298 0.983803 0.498085} O446 670 0.0 -1 8 {} O 0.0 {0.128049 0.94967 0.649452} O447 671 0.0 -1 8 {} O 0.0 {0.117881 0.95113 0.638558} O448 672 0.0 -1 14 {} Si 0.0 {0.122809 0.953215 0.689509} Si225 673 0.0 -1 14 {} Si 0.0 {0.133206 0.95917 0.926045} Si226 674 0.0 -1 14 {} Si 0.0 {0.123371 0.979221 0.760663} Si227 675 0.0 -1 14 {} Si 0.0 {0.133319 0.984001 0.846471} Si228 676 0.0 -1 8 {} O 0.0 {0.122622 0.944506 0.754319} O449 677 0.0 -1 8 {} O 0.0 {0.133119 0.973097 0.898331} O450 678 0.0 -1 8 {} O 0.0 {0.123126 0.96758 0.714725} O451 679 0.0 -1 8 {} O 0.0 {0.132261 0.99771 0.883205} O452 680 0.0 -1 8 {} O 0.0 {0.138638 0.98565 0.812495} O453 681 0.0 -1 8 {} O 0.0 {0.129065 0.979254 0.795463} O454 682 0.0 -1 8 {} O 0.0 {0.128372 0.95772 0.97108} O455 683 0.0 -1 8 {} O 0.0 {0.118909 0.950242 0.998157} O456 684 0.0 -1 14 {} Si 0.0 {0.123442 0.00181343 0.0383579} Si229 685 0.0 -1 14 {} Si 0.0 {0.132929 0.00400292 0.300183} Si230 686 0.0 -1 14 {} Si 0.0 {0.12308 0.0291981 0.11392} Si231 687 0.0 -1 14 {} Si 0.0 {0.132535 0.0291205 0.210857} Si232 688 0.0 -1 8 {} O 0.0 {0.123704 0.988309 0.0714056} O457 689 0.0 -1 8 {} O 0.0 {0.133579 0.0154536 0.248953} O458 690 0.0 -1 8 {} O 0.0 {0.12273 0.0151538 0.0798137} O459 691 0.0 -1 8 {} O 0.0 {0.131911 0.0392079 0.26362} O460 692 0.0 -1 8 {} O 0.0 {0.137473 0.0328177 0.169802} O461 693 0.0 -1 8 {} O 0.0 {0.127662 0.0272605 0.164039} O462 694 0.0 -1 8 {} O 0.0 {0.127909 0.00782033 0.341593} O463 695 0.0 -1 8 {} O 0.0 {0.118225 0.00497762 0.321377} O464 696 0.0 -1 14 {} Si 0.0 {0.122649 0.00548546 0.375733} Si233 697 0.0 -1 14 {} Si 0.0 {0.133586 0.00721402 0.617651} Si234 698 0.0 -1 14 {} Si 0.0 {0.122569 0.0303027 0.461433} Si235 699 0.0 -1 14 {} Si 0.0 {0.132977 0.032472 0.530209} Si236 700 0.0 -1 8 {} O 0.0 {0.12209 0.992451 0.415423} O465 701 0.0 -1 8 {} O 0.0 {0.133353 0.0206851 0.579143} O466 702 0.0 -1 8 {} O 0.0 {0.121489 0.0177565 0.418696} O467 703 0.0 -1 8 {} O 0.0 {0.131752 0.0452358 0.56999} O468 704 0.0 -1 8 {} O 0.0 {0.138419 0.0319877 0.491357} O469 705 0.0 -1 8 {} O 0.0 {0.128332 0.0296862 0.482077} O470 706 0.0 -1 8 {} O 0.0 {0.128055 0.0035288 0.646863} O471 707 0.0 -1 8 {} O 0.0 {0.118146 0.011123 0.654916} O472 708 0.0 -1 14 {} Si 0.0 {0.123279 0.00541661 0.691721} Si237 709 0.0 -1 14 {} Si 0.0 {0.132957 0.00699761 0.944202} Si238 710 0.0 -1 14 {} Si 0.0 {0.122875 0.0305476 0.778055} Si239 711 0.0 -1 14 {} Si 0.0 {0.132798 0.0325298 0.868211} Si240 712 0.0 -1 8 {} O 0.0 {0.121824 0.992341 0.727352} O473 713 0.0 -1 8 {} O 0.0 {0.132317 0.0219253 0.921099} O474 714 0.0 -1 8 {} O 0.0 {0.123829 0.0169991 0.740218} O475 715 0.0 -1 8 {} O 0.0 {0.133785 0.0455106 0.910505} O476 716 0.0 -1 8 {} O 0.0 {0.13765 0.0296755 0.82236} O477 717 0.0 -1 8 {} O 0.0 {0.127702 0.0335121 0.828342} O478 718 0.0 -1 8 {} O 0.0 {0.128698 0.00336552 0.995902} O479 719 0.0 -1 8 {} O 0.0 {0.11877 0.00164067 0.988279} O480 720 0.0 -1 14 {} Si 0.0 {0.122707 0.0546431 0.0384176} Si241 721 0.0 -1 14 {} Si 0.0 {0.132867 0.0520996 0.303332} Si242 722 0.0 -1 14 {} Si 0.0 {0.123162 0.076972 0.13833} Si243 723 0.0 -1 14 {} Si 0.0 {0.133336 0.078182 0.216519} Si244 724 0.0 -1 8 {} O 0.0 {0.123654 0.0402918 0.0636777} O481 725 0.0 -1 8 {} O 0.0 {0.132824 0.0651969 0.261458} O482 726 0.0 -1 8 {} O 0.0 {0.123012 0.0632788 0.101032} O483 727 0.0 -1 8 {} O 0.0 {0.135633 0.0893585 0.26534} O484 728 0.0 -1 8 {} O 0.0 {0.138236 0.0745125 0.1724} O485 729 0.0 -1 8 {} O 0.0 {0.128074 0.0802043 0.183057} O486 730 0.0 -1 8 {} O 0.0 {0.128271 0.054292 0.353096} O487 731 0.0 -1 8 {} O 0.0 {0.117823 0.0517061 0.318282} O488 732 0.0 -1 14 {} Si 0.0 {0.122387 0.0547471 0.37237} Si245 733 0.0 -1 14 {} Si 0.0 {0.132395 0.0573426 0.618591} Si246 734 0.0 -1 14 {} Si 0.0 {0.12194 0.0794221 0.454238} Si247 735 0.0 -1 14 {} Si 0.0 {0.132519 0.0792346 0.522401} Si248 736 0.0 -1 8 {} O 0.0 {0.121578 0.0437427 0.424785} O489 737 0.0 -1 8 {} O 0.0 {0.133766 0.0707937 0.586809} O490 738 0.0 -1 8 {} O 0.0 {0.121329 0.0691869 0.402755} O491 739 0.0 -1 8 {} O 0.0 {0.131718 0.0940356 0.538965} O492 740 0.0 -1 8 {} O 0.0 {0.137358 0.078126 0.47343} O493 741 0.0 -1 8 {} O 0.0 {0.127326 0.0758869 0.48658} O494 742 0.0 -1 8 {} O 0.0 {0.127225 0.0606546 0.658287} O495 743 0.0 -1 8 {} O 0.0 {0.117232 0.0596838 0.67365} O496 744 0.0 -1 14 {} Si 0.0 {0.122676 0.0565913 0.709423} Si249 745 0.0 -1 14 {} Si 0.0 {0.133179 0.0564739 0.961385} Si250 746 0.0 -1 14 {} Si 0.0 {0.122517 0.0704443 0.836152} Si251 747 0.0 -1 14 {} Si 0.0 {0.133613 0.080976 0.872316} Si252 748 0.0 -1 8 {} O 0.0 {0.123678 0.0420502 0.728835} O497 749 0.0 -1 8 {} O 0.0 {0.134162 0.0696725 0.924422} O498 750 0.0 -1 8 {} O 0.0 {0.123003 0.0674297 0.763275} O499 751 0.0 -1 8 {} O 0.0 {0.13438 0.0948832 0.901901} O500 752 0.0 -1 8 {} O 0.0 {0.137614 0.0794857 0.813015} O501 753 0.0 -1 8 {} O 0.0 {0.127563 0.0798139 0.845409} O502 754 0.0 -1 8 {} O 0.0 {0.127477 0.0583821 0.993815} O503 755 0.0 -1 8 {} O 0.0 {0.117111 0.0573836 0.00542522} O504 756 0.0 -1 14 {} Si 0.0 {0.141008 0.954848 0.0400863} Si253 757 0.0 -1 14 {} Si 0.0 {0.152998 0.954076 0.282832} Si254 758 0.0 -1 14 {} Si 0.0 {0.142416 0.980686 0.123951} Si255 759 0.0 -1 14 {} Si 0.0 {0.152497 0.98033 0.203485} Si256 760 0.0 -1 8 {} O 0.0 {0.137861 0.944198 0.0759799} O505 761 0.0 -1 8 {} O 0.0 {0.152832 0.96681 0.239767} O506 762 0.0 -1 8 {} O 0.0 {0.140655 0.968121 0.0808027} O507 763 0.0 -1 8 {} O 0.0 {0.151919 0.993242 0.247858} O508 764 0.0 -1 8 {} O 0.0 {0.158094 0.98179 0.173728} O509 765 0.0 -1 8 {} O 0.0 {0.148139 0.979475 0.148388} O510 766 0.0 -1 8 {} O 0.0 {0.148155 0.953476 0.331529} O511 767 0.0 -1 8 {} O 0.0 {0.137962 0.949746 0.333962} O512 768 0.0 -1 14 {} Si 0.0 {0.143285 0.952316 0.374802} Si257 769 0.0 -1 14 {} Si 0.0 {0.153285 0.955653 0.629009} Si258 770 0.0 -1 14 {} Si 0.0 {0.143544 0.977874 0.458813} Si259 771 0.0 -1 14 {} Si 0.0 {0.153542 0.979662 0.544022} Si260 772 0.0 -1 8 {} O 0.0 {0.143651 0.93916 0.415665} O513 773 0.0 -1 8 {} O 0.0 {0.154772 0.965916 0.575775} O514 774 0.0 -1 8 {} O 0.0 {0.143389 0.965251 0.414875} O515 775 0.0 -1 8 {} O 0.0 {0.152201 0.992138 0.588171} O516 776 0.0 -1 8 {} O 0.0 {0.158257 0.982228 0.499112} O517 777 0.0 -1 8 {} O 0.0 {0.148159 0.976059 0.506781} O518 778 0.0 -1 8 {} O 0.0 {0.148329 0.959383 0.665452} O519 779 0.0 -1 8 {} O 0.0 {0.138206 0.951423 0.644738} O520 780 0.0 -1 14 {} Si 0.0 {0.142469 0.956633 0.694145} Si261 781 0.0 -1 14 {} Si 0.0 {0.15176 0.953103 0.965579} Si262 782 0.0 -1 14 {} Si 0.0 {0.143776 0.98154 0.773157} Si263 783 0.0 -1 14 {} Si 0.0 {0.152383 0.977188 0.877173} Si264 784 0.0 -1 8 {} O 0.0 {0.143463 0.943908 0.7281} O521 785 0.0 -1 8 {} O 0.0 {0.151053 0.965369 0.922607} O522 786 0.0 -1 8 {} O 0.0 {0.141708 0.967743 0.745909} O523 787 0.0 -1 8 {} O 0.0 {0.151772 0.99033 0.921354} O524 788 0.0 -1 8 {} O 0.0 {0.158182 0.97692 0.846372} O525 789 0.0 -1 8 {} O 0.0 {0.148153 0.978562 0.822288} O526 790 0.0 -1 8 {} O 0.0 {0.147065 0.953718 0.0158014} O527 791 0.0 -1 8 {} O 0.0 {0.13786 0.955493 0.972721} O528 792 0.0 -1 14 {} Si 0.0 {0.14265 0.00566834 0.0288233} Si265 793 0.0 -1 14 {} Si 0.0 {0.152771 0.00496205 0.295303} Si266 794 0.0 -1 14 {} Si 0.0 {0.142335 0.028227 0.127862} Si267 795 0.0 -1 14 {} Si 0.0 {0.152938 0.0266121 0.19297} Si268 796 0.0 -1 8 {} O 0.0 {0.142485 0.992557 0.0777446} O529 797 0.0 -1 8 {} O 0.0 {0.153707 0.0181067 0.253952} O530 798 0.0 -1 8 {} O 0.0 {0.141226 0.016296 0.0787304} O531 799 0.0 -1 8 {} O 0.0 {0.153065 0.0409888 0.214231} O532 800 0.0 -1 8 {} O 0.0 {0.157488 0.0265534 0.142188} O533 801 0.0 -1 8 {} O 0.0 {0.147484 0.0242242 0.164822} O534 802 0.0 -1 8 {} O 0.0 {0.147455 0.00655579 0.330005} O535 803 0.0 -1 8 {} O 0.0 {0.137666 0.0019698 0.348198} O536 804 0.0 -1 14 {} Si 0.0 {0.143178 0.00300258 0.381137} Si269 805 0.0 -1 14 {} Si 0.0 {0.153656 0.00591622 0.621265} Si270 806 0.0 -1 14 {} Si 0.0 {0.143853 0.0289315 0.459754} Si271 807 0.0 -1 14 {} Si 0.0 {0.153967 0.0307585 0.540201} Si272 808 0.0 -1 8 {} O 0.0 {0.144719 0.990337 0.418825} O537 809 0.0 -1 8 {} O 0.0 {0.155287 0.0174848 0.575976} O538 810 0.0 -1 8 {} O 0.0 {0.1429 0.0147232 0.43025} O539 811 0.0 -1 8 {} O 0.0 {0.153394 0.0406374 0.594535} O540 812 0.0 -1 8 {} O 0.0 {0.157891 0.0352112 0.485416} O541 813 0.0 -1 8 {} O 0.0 {0.148229 0.0272597 0.511987} O542 814 0.0 -1 8 {} O 0.0 {0.148375 0.0111445 0.654057} O543 815 0.0 -1 8 {} O 0.0 {0.138144 0.0086775 0.669268} O544 816 0.0 -1 14 {} Si 0.0 {0.143819 0.00697348 0.700939} Si273 817 0.0 -1 14 {} Si 0.0 {0.152925 0.00433634 0.953942} Si274 818 0.0 -1 14 {} Si 0.0 {0.14308 0.031008 0.789905} Si275 819 0.0 -1 14 {} Si 0.0 {0.152871 0.0285838 0.869175} Si276 820 0.0 -1 8 {} O 0.0 {0.144614 0.992221 0.72171} O545 821 0.0 -1 8 {} O 0.0 {0.153273 0.0143581 0.898892} O546 822 0.0 -1 8 {} O 0.0 {0.144343 0.0171582 0.755546} O547 823 0.0 -1 8 {} O 0.0 {0.154094 0.0390079 0.919888} O548 824 0.0 -1 8 {} O 0.0 {0.157232 0.0302982 0.814462} O549 825 0.0 -1 8 {} O 0.0 {0.147095 0.0319064 0.843978} O550 826 0.0 -1 8 {} O 0.0 {0.148373 0.00755664 0.9989} O551 827 0.0 -1 8 {} O 0.0 {0.138452 0.0046374 0.974265} O552 828 0.0 -1 14 {} Si 0.0 {0.143517 0.0541739 0.039942} Si277 829 0.0 -1 14 {} Si 0.0 {0.153433 0.05117 0.273145} Si278 830 0.0 -1 14 {} Si 0.0 {0.143526 0.0773811 0.131557} Si279 831 0.0 -1 14 {} Si 0.0 {0.154108 0.0790404 0.201437} Si280 832 0.0 -1 8 {} O 0.0 {0.142796 0.040961 0.0812008} O553 833 0.0 -1 8 {} O 0.0 {0.154288 0.0650707 0.242821} O554 834 0.0 -1 8 {} O 0.0 {0.144744 0.0647089 0.0900679} O555 835 0.0 -1 8 {} O 0.0 {0.154923 0.0885469 0.263535} O556 836 0.0 -1 8 {} O 0.0 {0.158689 0.0814112 0.151788} O557 837 0.0 -1 8 {} O 0.0 {0.148293 0.0825608 0.171987} O558 838 0.0 -1 8 {} O 0.0 {0.148122 0.053089 0.308974} O559 839 0.0 -1 8 {} O 0.0 {0.138473 0.0514374 0.339723} O560 840 0.0 -1 14 {} Si 0.0 {0.144238 0.0513194 0.365073} Si281 841 0.0 -1 14 {} Si 0.0 {0.153116 0.0555849 0.616611} Si282 842 0.0 -1 14 {} Si 0.0 {0.143058 0.0772914 0.448872} Si283 843 0.0 -1 14 {} Si 0.0 {0.153275 0.0788513 0.524631} Si284 844 0.0 -1 8 {} O 0.0 {0.145583 0.0394641 0.4079} O561 845 0.0 -1 8 {} O 0.0 {0.154485 0.0660039 0.561144} O562 846 0.0 -1 8 {} O 0.0 {0.144035 0.063639 0.414447} O563 847 0.0 -1 8 {} O 0.0 {0.154496 0.0906857 0.574237} O564 848 0.0 -1 8 {} O 0.0 {0.157773 0.0841698 0.473888} O565 849 0.0 -1 8 {} O 0.0 {0.147567 0.0794029 0.498781} O566 850 0.0 -1 8 {} O 0.0 {0.146972 0.0557904 0.639455} O567 851 0.0 -1 8 {} O 0.0 {0.137168 0.055518 0.666023} O568 852 0.0 -1 14 {} Si 0.0 {0.142754 0.053869 0.697412} Si285 853 0.0 -1 14 {} Si 0.0 {0.153056 0.052544 0.951975} Si286 854 0.0 -1 14 {} Si 0.0 {0.142858 0.0786228 0.777063} Si287 855 0.0 -1 14 {} Si 0.0 {0.152449 0.0792744 0.867823} Si288 856 0.0 -1 8 {} O 0.0 {0.142924 0.0406278 0.733842} O569 857 0.0 -1 8 {} O 0.0 {0.153227 0.0641029 0.900164} O570 858 0.0 -1 8 {} O 0.0 {0.143973 0.0655939 0.743083} O571 859 0.0 -1 8 {} O 0.0 {0.154094 0.0912886 0.912577} O572 860 0.0 -1 8 {} O 0.0 {0.156593 0.0818655 0.81098} O573 861 0.0 -1 8 {} O 0.0 {0.146608 0.0815132 0.835571} O574 862 0.0 -1 8 {} O 0.0 {0.147588 0.0533036 0.98541} O575 863 0.0 -1 8 {} O 0.0 {0.137708 0.0570901 0.0140606} O576 864 0.0 -1 14 {} Si 0.0 {0.162025 0.953077 0.0498707} Si289 865 0.0 -1 14 {} Si 0.0 {0.172886 0.952407 0.28367} Si290 866 0.0 -1 14 {} Si 0.0 {0.1623 0.979092 0.121752} Si291 867 0.0 -1 14 {} Si 0.0 {0.172325 0.977977 0.207538} Si292 868 0.0 -1 8 {} O 0.0 {0.159752 0.942028 0.081307} O577 869 0.0 -1 8 {} O 0.0 {0.17156 0.963588 0.237287} O578 870 0.0 -1 8 {} O 0.0 {0.160867 0.965351 0.0895921} O579 871 0.0 -1 8 {} O 0.0 {0.172726 0.99001 0.256299} O580 872 0.0 -1 8 {} O 0.0 {0.177735 0.977543 0.163932} O581 873 0.0 -1 8 {} O 0.0 {0.167787 0.978967 0.156697} O582 874 0.0 -1 8 {} O 0.0 {0.168681 0.95464 0.335801} O583 875 0.0 -1 8 {} O 0.0 {0.1587 0.954383 0.31362} O584 876 0.0 -1 14 {} Si 0.0 {0.162995 0.955519 0.368662} Si293 877 0.0 -1 14 {} Si 0.0 {0.172927 0.951292 0.622227} Si294 878 0.0 -1 14 {} Si 0.0 {0.163307 0.979791 0.456687} Si295 879 0.0 -1 14 {} Si 0.0 {0.173559 0.977586 0.540131} Si296 880 0.0 -1 8 {} O 0.0 {0.163599 0.944004 0.417812} O585 881 0.0 -1 8 {} O 0.0 {0.173764 0.96534 0.591861} O586 882 0.0 -1 8 {} O 0.0 {0.162049 0.967761 0.410787} O587 883 0.0 -1 8 {} O 0.0 {0.174293 0.990093 0.583012} O588 884 0.0 -1 8 {} O 0.0 {0.177646 0.975205 0.484718} O589 885 0.0 -1 8 {} O 0.0 {0.168018 0.978622 0.504025} O590 886 0.0 -1 8 {} O 0.0 {0.168361 0.952829 0.67104} O591 887 0.0 -1 8 {} O 0.0 {0.158142 0.952034 0.676387} O592 888 0.0 -1 14 {} Si 0.0 {0.163357 0.95403 0.712634} Si297 889 0.0 -1 14 {} Si 0.0 {0.174049 0.952256 0.954005} Si298 890 0.0 -1 14 {} Si 0.0 {0.163319 0.977793 0.804463} Si299 891 0.0 -1 14 {} Si 0.0 {0.173953 0.977911 0.878857} Si300 892 0.0 -1 8 {} O 0.0 {0.163438 0.941333 0.752683} O593 893 0.0 -1 8 {} O 0.0 {0.174008 0.96632 0.926672} O594 894 0.0 -1 8 {} O 0.0 {0.163215 0.964983 0.764806} O595 895 0.0 -1 8 {} O 0.0 {0.175248 0.991691 0.91272} O596 896 0.0 -1 8 {} O 0.0 {0.178256 0.976693 0.82322} O597 897 0.0 -1 8 {} O 0.0 {0.168687 0.979211 0.841569} O598 898 0.0 -1 8 {} O 0.0 {0.169156 0.949544 0.985248} O599 899 0.0 -1 8 {} O 0.0 {0.157852 0.954224 0.994275} O600 900 0.0 -1 14 {} Si 0.0 {0.163857 0.00244616 0.0265992} Si301 901 0.0 -1 14 {} Si 0.0 {0.172938 0.00335648 0.291028} Si302 902 0.0 -1 14 {} Si 0.0 {0.163559 0.0270531 0.115376} Si303 903 0.0 -1 14 {} Si 0.0 {0.17297 0.0276052 0.204507} Si304 904 0.0 -1 8 {} O 0.0 {0.162697 0.989913 0.0688972} O601 905 0.0 -1 8 {} O 0.0 {0.17411 0.0145218 0.240101} O602 906 0.0 -1 8 {} O 0.0 {0.164596 0.0139816 0.0761934} O603 907 0.0 -1 8 {} O 0.0 {0.173307 0.0417609 0.235058} O604 908 0.0 -1 8 {} O 0.0 {0.177094 0.0279191 0.14597} O605 909 0.0 -1 8 {} O 0.0 {0.167407 0.0271274 0.172088} O606 910 0.0 -1 8 {} O 0.0 {0.167893 0.00772789 0.330167} O607 911 0.0 -1 8 {} O 0.0 {0.157874 0.00246806 0.33502} O608 912 0.0 -1 14 {} Si 0.0 {0.163264 0.00551916 0.375189} Si305 913 0.0 -1 14 {} Si 0.0 {0.172627 0.00331307 0.623885} Si306 914 0.0 -1 14 {} Si 0.0 {0.163192 0.0323974 0.451478} Si307 915 0.0 -1 14 {} Si 0.0 {0.172867 0.0290344 0.546075} Si308 916 0.0 -1 8 {} O 0.0 {0.164163 0.992276 0.411217} O609 917 0.0 -1 8 {} O 0.0 {0.17269 0.0158717 0.58253} O610 918 0.0 -1 8 {} O 0.0 {0.162815 0.0189675 0.415503} O611 919 0.0 -1 8 {} O 0.0 {0.173714 0.0409909 0.589614} O612 920 0.0 -1 8 {} O 0.0 {0.177523 0.0269776 0.496873} O613 921 0.0 -1 8 {} O 0.0 {0.167778 0.0316387 0.502076} O614 922 0.0 -1 8 {} O 0.0 {0.16725 0.000251615 0.6591} O615 923 0.0 -1 8 {} O 0.0 {0.157776 0.00310485 0.673228} O616 924 0.0 -1 14 {} Si 0.0 {0.163015 0.00239632 0.715221} Si309 925 0.0 -1 14 {} Si 0.0 {0.174202 0.00410988 0.955214} Si310 926 0.0 -1 14 {} Si 0.0 {0.163094 0.029107 0.786373} Si311 927 0.0 -1 14 {} Si 0.0 {0.1726 0.0286826 0.872065} Si312 928 0.0 -1 8 {} O 0.0 {0.162434 0.990221 0.758564} O617 929 0.0 -1 8 {} O 0.0 {0.174501 0.01716 0.910682} O618 930 0.0 -1 8 {} O 0.0 {0.163443 0.0162223 0.746892} O619 931 0.0 -1 8 {} O 0.0 {0.174155 0.0422028 0.9058} O620 932 0.0 -1 8 {} O 0.0 {0.176524 0.0301638 0.81147} O621 933 0.0 -1 8 {} O 0.0 {0.166847 0.0276901 0.844285} O622 934 0.0 -1 8 {} O 0.0 {0.168272 0.00340718 0.976545} O623 935 0.0 -1 8 {} O 0.0 {0.158588 0.00514855 0.987923} O624 936 0.0 -1 14 {} Si 0.0 {0.163149 0.0531638 0.0363154} Si313 937 0.0 -1 14 {} Si 0.0 {0.173008 0.0560127 0.265006} Si314 938 0.0 -1 14 {} Si 0.0 {0.163041 0.0798001 0.101573} Si315 939 0.0 -1 14 {} Si 0.0 {0.17275 0.0817153 0.191336} Si316 940 0.0 -1 8 {} O 0.0 {0.163888 0.039199 0.0715228} O625 941 0.0 -1 8 {} O 0.0 {0.172576 0.0667149 0.212985} O626 942 0.0 -1 8 {} O 0.0 {0.1632 0.0647217 0.0827407} O627 943 0.0 -1 8 {} O 0.0 {0.170379 0.0951239 0.270548} O628 944 0.0 -1 8 {} O 0.0 {0.177608 0.0851882 0.153035} O629 945 0.0 -1 8 {} O 0.0 {0.167922 0.0830598 0.144176} O630 946 0.0 -1 8 {} O 0.0 {0.167494 0.0562124 0.303247} O631 947 0.0 -1 8 {} O 0.0 {0.157955 0.0492798 0.325722} O632 948 0.0 -1 14 {} Si 0.0 {0.163124 0.0549243 0.358228} Si317 949 0.0 -1 14 {} Si 0.0 {0.172413 0.0549659 0.618724} Si318 950 0.0 -1 14 {} Si 0.0 {0.16273 0.0810715 0.43076} Si319 951 0.0 -1 14 {} Si 0.0 {0.172915 0.0779028 0.515108} Si320 952 0.0 -1 8 {} O 0.0 {0.164625 0.0442553 0.405231} O633 953 0.0 -1 8 {} O 0.0 {0.172577 0.0643757 0.555115} O634 954 0.0 -1 8 {} O 0.0 {0.161349 0.06812 0.393714} O635 955 0.0 -1 8 {} O 0.0 {0.171996 0.0905176 0.559549} O636 956 0.0 -1 8 {} O 0.0 {0.178459 0.0813504 0.484472} O637 957 0.0 -1 8 {} O 0.0 {0.16846 0.0800684 0.463835} O638 958 0.0 -1 8 {} O 0.0 {0.166885 0.0559983 0.650891} O639 959 0.0 -1 8 {} O 0.0 {0.157546 0.057197 0.669522} O640 960 0.0 -1 14 {} Si 0.0 {0.162987 0.0548708 0.71124} Si321 961 0.0 -1 14 {} Si 0.0 {0.172727 0.0552044 0.942843} Si322 962 0.0 -1 14 {} Si 0.0 {0.161859 0.0815551 0.774898} Si323 963 0.0 -1 14 {} Si 0.0 {0.171429 0.0796749 0.862503} Si324 964 0.0 -1 8 {} O 0.0 {0.164216 0.0424583 0.748178} O641 965 0.0 -1 8 {} O 0.0 {0.171578 0.0659237 0.895508} O642 966 0.0 -1 8 {} O 0.0 {0.163687 0.0670146 0.755098} O643 967 0.0 -1 8 {} O 0.0 {0.171638 0.091271 0.91421} O644 968 0.0 -1 8 {} O 0.0 {0.176706 0.0833878 0.820313} O645 969 0.0 -1 8 {} O 0.0 {0.166476 0.0851104 0.820892} O646 970 0.0 -1 8 {} O 0.0 {0.167586 0.0541248 0.984972} O647 971 0.0 -1 8 {} O 0.0 {0.157729 0.0547996 0.00294752} O648 972 0.0 -1 14 {} Si 0.0 {0.184196 0.954455 0.0353107} Si325 973 0.0 -1 14 {} Si 0.0 {0.194289 0.957266 0.293684} Si326 974 0.0 -1 14 {} Si 0.0 {0.182258 0.979006 0.116965} Si327 975 0.0 -1 14 {} Si 0.0 {0.193158 0.978946 0.195202} Si328 976 0.0 -1 8 {} O 0.0 {0.187328 0.945453 0.0798058} O649 977 0.0 -1 8 {} O 0.0 {0.193602 0.970479 0.25737} O650 978 0.0 -1 8 {} O 0.0 {0.182155 0.968208 0.0643164} O651 979 0.0 -1 8 {} O 0.0 {0.193264 0.993642 0.215966} O652 980 0.0 -1 8 {} O 0.0 {0.198557 0.977057 0.158435} O653 981 0.0 -1 8 {} O 0.0 {0.187923 0.975871 0.151935} O654 982 0.0 -1 8 {} O 0.0 {0.188735 0.952462 0.320094} O655 983 0.0 -1 8 {} O 0.0 {0.178762 0.956944 0.308133} O656 984 0.0 -1 14 {} Si 0.0 {0.183378 0.955236 0.355811} Si329 985 0.0 -1 14 {} Si 0.0 {0.194203 0.951973 0.613449} Si330 986 0.0 -1 14 {} Si 0.0 {0.183375 0.978389 0.454295} Si331 987 0.0 -1 14 {} Si 0.0 {0.193303 0.979357 0.536215} Si332 988 0.0 -1 8 {} O 0.0 {0.182006 0.942269 0.395877} O657 989 0.0 -1 8 {} O 0.0 {0.193406 0.966259 0.580988} O658 990 0.0 -1 8 {} O 0.0 {0.183524 0.968523 0.396766} O659 991 0.0 -1 8 {} O 0.0 {0.193528 0.993757 0.563955} O660 992 0.0 -1 8 {} O 0.0 {0.198235 0.978655 0.487634} O661 993 0.0 -1 8 {} O 0.0 {0.187717 0.977499 0.506672} O662 994 0.0 -1 8 {} O 0.0 {0.188835 0.950836 0.648712} O663 995 0.0 -1 8 {} O 0.0 {0.178455 0.949439 0.65678} O664 996 0.0 -1 14 {} Si 0.0 {0.183748 0.954066 0.690554} Si333 997 0.0 -1 14 {} Si 0.0 {0.193465 0.955785 0.937978} Si334 998 0.0 -1 14 {} Si 0.0 {0.183549 0.977922 0.783343} Si335 999 0.0 -1 14 {} Si 0.0 {0.19413 0.980306 0.857214} Si336 1000 0.0 -1 8 {} O 0.0 {0.184064 0.94382 0.743465} O665 1001 0.0 -1 8 {} O 0.0 {0.194427 0.970094 0.918092} O666 1002 0.0 -1 8 {} O 0.0 {0.183836 0.967037 0.733096} O667 1003 0.0 -1 8 {} O 0.0 {0.194533 0.994307 0.888338} O668 1004 0.0 -1 8 {} O 0.0 {0.198783 0.975255 0.81321} O669 1005 0.0 -1 8 {} O 0.0 {0.188429 0.978694 0.825542} O670 1006 0.0 -1 8 {} O 0.0 {0.187907 0.957391 0.976986} O671 1007 0.0 -1 8 {} O 0.0 {0.178736 0.94836 0.000508991} O672 1008 0.0 -1 14 {} Si 0.0 {0.183768 0.00529814 0.0425189} Si337 1009 0.0 -1 14 {} Si 0.0 {0.191986 0.00493902 0.263753} Si338 1010 0.0 -1 14 {} Si 0.0 {0.182501 0.0309948 0.112829} Si339 1011 0.0 -1 14 {} Si 0.0 {0.192421 0.0313081 0.198248} Si340 1012 0.0 -1 8 {} O 0.0 {0.183369 0.993278 0.091749} O673 1013 0.0 -1 8 {} O 0.0 {0.191164 0.0192675 0.239242} O674 1014 0.0 -1 8 {} O 0.0 {0.184868 0.0187881 0.0795936} O675 1015 0.0 -1 8 {} O 0.0 {0.1938 0.0438151 0.236855} O676 1016 0.0 -1 8 {} O 0.0 {0.196617 0.029397 0.146556} O677 1017 0.0 -1 8 {} O 0.0 {0.187155 0.0346811 0.161319} O678 1018 0.0 -1 8 {} O 0.0 {0.187577 0.00156867 0.315261} O679 1019 0.0 -1 8 {} O 0.0 {0.177873 0.00292629 0.335034} O680 1020 0.0 -1 14 {} Si 0.0 {0.183463 0.00427813 0.370103} Si341 1021 0.0 -1 14 {} Si 0.0 {0.191963 0.00464038 0.614051} Si342 1022 0.0 -1 14 {} Si 0.0 {0.182398 0.0295174 0.44693} Si343 1023 0.0 -1 14 {} Si 0.0 {0.192132 0.0312533 0.533513} Si344 1024 0.0 -1 8 {} O 0.0 {0.184039 0.993067 0.423966} O681 1025 0.0 -1 8 {} O 0.0 {0.191278 0.0181682 0.573341} O682 1026 0.0 -1 8 {} O 0.0 {0.183916 0.0172523 0.406708} O683 1027 0.0 -1 8 {} O 0.0 {0.192458 0.0417603 0.589299} O684 1028 0.0 -1 8 {} O 0.0 {0.19708 0.0326162 0.491865} O685 1029 0.0 -1 8 {} O 0.0 {0.186989 0.033158 0.494715} O686 1030 0.0 -1 8 {} O 0.0 {0.186738 0.00326557 0.651149} O687 1031 0.0 -1 8 {} O 0.0 {0.176936 0.00450077 0.678036} O688 1032 0.0 -1 14 {} Si 0.0 {0.18272 0.00362089 0.706048} Si345 1033 0.0 -1 14 {} Si 0.0 {0.193128 0.00525392 0.940844} Si346 1034 0.0 -1 14 {} Si 0.0 {0.182136 0.0305843 0.781665} Si347 1035 0.0 -1 14 {} Si 0.0 {0.191859 0.0320126 0.87137} Si348 1036 0.0 -1 8 {} O 0.0 {0.182754 0.991658 0.749006} O689 1037 0.0 -1 8 {} O 0.0 {0.191906 0.0175553 0.89977} O690 1038 0.0 -1 8 {} O 0.0 {0.18314 0.0176163 0.748988} O691 1039 0.0 -1 8 {} O 0.0 {0.192303 0.0420688 0.927751} O692 1040 0.0 -1 8 {} O 0.0 {0.196723 0.0351226 0.826798} O693 1041 0.0 -1 8 {} O 0.0 {0.186296 0.0333679 0.838801} O694 1042 0.0 -1 8 {} O 0.0 {0.188061 0.00302587 0.985817} O695 1043 0.0 -1 8 {} O 0.0 {0.178183 0.00662308 0.0110393} O696 1044 0.0 -1 14 {} Si 0.0 {0.182083 0.057008 0.0345475} Si349 1045 0.0 -1 14 {} Si 0.0 {0.192414 0.0567763 0.271385} Si350 1046 0.0 -1 14 {} Si 0.0 {0.182076 0.0831293 0.10282} Si351 1047 0.0 -1 14 {} Si 0.0 {0.192218 0.0824032 0.191372} Si352 1048 0.0 -1 8 {} O 0.0 {0.181947 0.0426008 0.0666352} O697 1049 0.0 -1 8 {} O 0.0 {0.191914 0.0684281 0.223368} O698 1050 0.0 -1 8 {} O 0.0 {0.181574 0.0684211 0.0877104} O699 1051 0.0 -1 8 {} O 0.0 {0.191412 0.0939451 0.241513} O700 1052 0.0 -1 8 {} O 0.0 {0.197091 0.0861459 0.148717} O701 1053 0.0 -1 8 {} O 0.0 {0.187164 0.0850453 0.147832} O702 1054 0.0 -1 8 {} O 0.0 {0.187466 0.0543307 0.318705} O703 1055 0.0 -1 8 {} O 0.0 {0.177727 0.0576092 0.311802} O704 1056 0.0 -1 14 {} Si 0.0 {0.182041 0.0543738 0.360262} Si353 1057 0.0 -1 14 {} Si 0.0 {0.192374 0.0552724 0.620075} Si354 1058 0.0 -1 14 {} Si 0.0 {0.183389 0.0793021 0.439444} Si355 1059 0.0 -1 14 {} Si 0.0 {0.192121 0.0795686 0.538334} Si356 1060 0.0 -1 8 {} O 0.0 {0.181285 0.0406492 0.397296} O705 1061 0.0 -1 8 {} O 0.0 {0.192989 0.0655326 0.56673} O706 1062 0.0 -1 8 {} O 0.0 {0.183348 0.0652297 0.413193} O707 1063 0.0 -1 8 {} O 0.0 {0.188228 0.0943681 0.601908} O708 1064 0.0 -1 8 {} O 0.0 {0.197295 0.0824345 0.500029} O709 1065 0.0 -1 8 {} O 0.0 {0.187986 0.0811964 0.484894} O710 1066 0.0 -1 8 {} O 0.0 {0.186907 0.0584252 0.654447} O711 1067 0.0 -1 8 {} O 0.0 {0.176631 0.0591437 0.668968} O712 1068 0.0 -1 14 {} Si 0.0 {0.182222 0.0555073 0.699742} Si357 1069 0.0 -1 14 {} Si 0.0 {0.192459 0.056194 0.954187} Si358 1070 0.0 -1 14 {} Si 0.0 {0.181834 0.0802142 0.787625} Si359 1071 0.0 -1 14 {} Si 0.0 {0.192426 0.0812791 0.863032} Si360 1072 0.0 -1 8 {} O 0.0 {0.181936 0.0412493 0.728662} O713 1073 0.0 -1 8 {} O 0.0 {0.192841 0.0671269 0.899137} O714 1074 0.0 -1 8 {} O 0.0 {0.182123 0.0662657 0.755621} O715 1075 0.0 -1 8 {} O 0.0 {0.191956 0.0917257 0.917539} O716 1076 0.0 -1 8 {} O 0.0 {0.197219 0.0841444 0.814498} O717 1077 0.0 -1 8 {} O 0.0 {0.186909 0.0827278 0.827219} O718 1078 0.0 -1 8 {} O 0.0 {0.187429 0.0598591 0.00329918} O719 1079 0.0 -1 8 {} O 0.0 {0.177714 0.0587188 0.984539} O720 1080 0.0 -1 14 {} Si 0.0 {0.203038 0.954469 0.0336811} Si361 1081 0.0 -1 14 {} Si 0.0 {0.213198 0.960207 0.256233} Si362 1082 0.0 -1 14 {} Si 0.0 {0.203189 0.981394 0.111691} Si363 1083 0.0 -1 14 {} Si 0.0 {0.21332 0.986957 0.193537} Si364 1084 0.0 -1 8 {} O 0.0 {0.203913 0.943755 0.0869019} O721 1085 0.0 -1 8 {} O 0.0 {0.212561 0.975163 0.243288} O722 1086 0.0 -1 8 {} O 0.0 {0.203356 0.967819 0.0724221} O723 1087 0.0 -1 8 {} O 0.0 {0.213112 0.0014951 0.222307} O724 1088 0.0 -1 8 {} O 0.0 {0.218623 0.984985 0.156139} O725 1089 0.0 -1 8 {} O 0.0 {0.208502 0.985122 0.148383} O726 1090 0.0 -1 8 {} O 0.0 {0.208557 0.956845 0.300849} O727 1091 0.0 -1 8 {} O 0.0 {0.198906 0.954291 0.34298} O728 1092 0.0 -1 14 {} Si 0.0 {0.204968 0.956346 0.362627} Si365 1093 0.0 -1 14 {} Si 0.0 {0.213149 0.961885 0.582324} Si366 1094 0.0 -1 14 {} Si 0.0 {0.202972 0.981322 0.441793} Si367 1095 0.0 -1 14 {} Si 0.0 {0.212751 0.989311 0.526966} Si368 1096 0.0 -1 8 {} O 0.0 {0.208147 0.946315 0.406358} O729 1097 0.0 -1 8 {} O 0.0 {0.213252 0.976972 0.574208} O730 1098 0.0 -1 8 {} O 0.0 {0.20528 0.968724 0.407131} O731 1099 0.0 -1 8 {} O 0.0 {0.211113 0.00341707 0.553978} O732 1100 0.0 -1 8 {} O 0.0 {0.21796 0.989633 0.486354} O733 1101 0.0 -1 8 {} O 0.0 {0.207929 0.985821 0.483583} O734 1102 0.0 -1 8 {} O 0.0 {0.208023 0.95855 0.623079} O735 1103 0.0 -1 8 {} O 0.0 {0.198782 0.95177 0.662394} O736 1104 0.0 -1 14 {} Si 0.0 {0.204804 0.95574 0.684964} Si369 1105 0.0 -1 14 {} Si 0.0 {0.213186 0.95494 0.947518} Si370 1106 0.0 -1 14 {} Si 0.0 {0.204092 0.979031 0.77856} Si371 1107 0.0 -1 14 {} Si 0.0 {0.213311 0.980679 0.870459} Si372 1108 0.0 -1 8 {} O 0.0 {0.208003 0.943099 0.707516} O737 1109 0.0 -1 8 {} O 0.0 {0.213426 0.968932 0.917775} O738 1110 0.0 -1 8 {} O 0.0 {0.205389 0.966932 0.739561} O739 1111 0.0 -1 8 {} O 0.0 {0.214556 0.993342 0.910227} O740 1112 0.0 -1 8 {} O 0.0 {0.217621 0.980482 0.814525} O741 1113 0.0 -1 8 {} O 0.0 {0.207913 0.982317 0.834541} O742 1114 0.0 -1 8 {} O 0.0 {0.207864 0.954305 0.986949} O743 1115 0.0 -1 8 {} O 0.0 {0.197703 0.952924 0.991823} O744 1116 0.0 -1 14 {} Si 0.0 {0.202566 0.0062738 0.033612} Si373 1117 0.0 -1 14 {} Si 0.0 {0.212799 0.0100126 0.283903} Si374 1118 0.0 -1 14 {} Si 0.0 {0.2028 0.030881 0.113897} Si375 1119 0.0 -1 14 {} Si 0.0 {0.212516 0.0350014 0.201565} Si376 1120 0.0 -1 8 {} O 0.0 {0.201214 0.993587 0.0715656} O745 1121 0.0 -1 8 {} O 0.0 {0.212762 0.0245085 0.256975} O746 1122 0.0 -1 8 {} O 0.0 {0.204316 0.0179822 0.0748051} O747 1123 0.0 -1 8 {} O 0.0 {0.212403 0.048966 0.236121} O748 1124 0.0 -1 8 {} O 0.0 {0.217751 0.033454 0.165083} O749 1125 0.0 -1 8 {} O 0.0 {0.20744 0.0344788 0.161854} O750 1126 0.0 -1 8 {} O 0.0 {0.207685 0.00613715 0.32482} O751 1127 0.0 -1 8 {} O 0.0 {0.197543 0.00558918 0.304804} O752 1128 0.0 -1 14 {} Si 0.0 {0.202066 0.0054865 0.355532} Si377 1129 0.0 -1 14 {} Si 0.0 {0.210728 0.01296 0.612003} Si378 1130 0.0 -1 14 {} Si 0.0 {0.201583 0.0310123 0.439698} Si379 1131 0.0 -1 14 {} Si 0.0 {0.211048 0.0371704 0.522947} Si380 1132 0.0 -1 8 {} O 0.0 {0.201507 0.992034 0.390082} O753 1133 0.0 -1 8 {} O 0.0 {0.210255 0.0270227 0.580617} O754 1134 0.0 -1 8 {} O 0.0 {0.200882 0.0180951 0.394883} O755 1135 0.0 -1 8 {} O 0.0 {0.2103 0.0512977 0.553433} O756 1136 0.0 -1 8 {} O 0.0 {0.216727 0.038141 0.496018} O757 1137 0.0 -1 8 {} O 0.0 {0.207019 0.033582 0.471186} O758 1138 0.0 -1 8 {} O 0.0 {0.206477 0.0100346 0.66177} O759 1139 0.0 -1 8 {} O 0.0 {0.196637 0.00469376 0.666873} O760 1140 0.0 -1 14 {} Si 0.0 {0.201804 0.00555168 0.705149} Si381 1141 0.0 -1 14 {} Si 0.0 {0.213026 0.00519518 0.951514} Si382 1142 0.0 -1 14 {} Si 0.0 {0.201564 0.0303938 0.783884} Si383 1143 0.0 -1 14 {} Si 0.0 {0.211636 0.031488 0.872557} Si384 1144 0.0 -1 8 {} O 0.0 {0.202989 0.992023 0.736831} O761 1145 0.0 -1 8 {} O 0.0 {0.212602 0.017772 0.912602} O762 1146 0.0 -1 8 {} O 0.0 {0.201096 0.0160258 0.758262} O763 1147 0.0 -1 8 {} O 0.0 {0.21158 0.041738 0.927237} O764 1148 0.0 -1 8 {} O 0.0 {0.216547 0.0356229 0.832744} O765 1149 0.0 -1 8 {} O 0.0 {0.206262 0.0309592 0.832887} O766 1150 0.0 -1 8 {} O 0.0 {0.20772 0.00263906 0.993025} O767 1151 0.0 -1 8 {} O 0.0 {0.197989 0.0085938 0.984394} O768 1152 0.0 -1 14 {} Si 0.0 {0.202829 0.0573295 0.0350625} Si385 1153 0.0 -1 14 {} Si 0.0 {0.211519 0.0607284 0.285484} Si386 1154 0.0 -1 14 {} Si 0.0 {0.202167 0.0828082 0.109342} Si387 1155 0.0 -1 14 {} Si 0.0 {0.211937 0.0845773 0.195863} Si388 1156 0.0 -1 8 {} O 0.0 {0.202563 0.0423571 0.0623128} O769 1157 0.0 -1 8 {} O 0.0 {0.211422 0.07352 0.245757} O770 1158 0.0 -1 8 {} O 0.0 {0.202092 0.0686163 0.0851873} O771 1159 0.0 -1 8 {} O 0.0 {0.210933 0.104519 0.23032} O772 1160 0.0 -1 8 {} O 0.0 {0.21667 0.0862317 0.146678} O773 1161 0.0 -1 8 {} O 0.0 {0.207238 0.0828612 0.149918} O774 1162 0.0 -1 8 {} O 0.0 {0.206934 0.057783 0.33387} O775 1163 0.0 -1 8 {} O 0.0 {0.196924 0.061031 0.319843} O776 1164 0.0 -1 14 {} Si 0.0 {0.201478 0.0569822 0.370639} Si389 1165 0.0 -1 14 {} Si 0.0 {0.211948 0.0607921 0.607732} Si390 1166 0.0 -1 14 {} Si 0.0 {0.201866 0.0820194 0.446798} Si391 1167 0.0 -1 14 {} Si 0.0 {0.211886 0.0853689 0.525126} Si392 1168 0.0 -1 8 {} O 0.0 {0.200326 0.042341 0.389493} O777 1169 0.0 -1 8 {} O 0.0 {0.211828 0.0757649 0.5834} O778 1170 0.0 -1 8 {} O 0.0 {0.200856 0.0677151 0.421065} O779 1171 0.0 -1 8 {} O 0.0 {0.210384 0.0992706 0.554556} O780 1172 0.0 -1 8 {} O 0.0 {0.217623 0.0846447 0.496741} O781 1173 0.0 -1 8 {} O 0.0 {0.207787 0.0841771 0.470613} O782 1174 0.0 -1 8 {} O 0.0 {0.206987 0.0600737 0.657528} O783 1175 0.0 -1 8 {} O 0.0 {0.197074 0.0571389 0.669045} O784 1176 0.0 -1 14 {} Si 0.0 {0.202587 0.0553041 0.704421} Si393 1177 0.0 -1 14 {} Si 0.0 {0.212337 0.0569915 0.945782} Si394 1178 0.0 -1 14 {} Si 0.0 {0.202644 0.0804789 0.782296} Si395 1179 0.0 -1 14 {} Si 0.0 {0.211978 0.0825661 0.874135} Si396 1180 0.0 -1 8 {} O 0.0 {0.202334 0.0410992 0.733928} O785 1181 0.0 -1 8 {} O 0.0 {0.212704 0.0678184 0.89113} O786 1182 0.0 -1 8 {} O 0.0 {0.203034 0.0657681 0.759159} O787 1183 0.0 -1 8 {} O 0.0 {0.213076 0.0981788 0.947825} O788 1184 0.0 -1 8 {} O 0.0 {0.216383 0.0852138 0.82198} O789 1185 0.0 -1 8 {} O 0.0 {0.20655 0.0836908 0.837017} O790 1186 0.0 -1 8 {} O 0.0 {0.207814 0.061085 0.995691} O791 1187 0.0 -1 8 {} O 0.0 {0.197759 0.0592336 0.991538} O792 1188 0.0 -1 14 {} Si 0.0 {0.223034 0.955593 0.034325} Si397 1189 0.0 -1 14 {} Si 0.0 {0.231984 0.957284 0.288662} Si398 1190 0.0 -1 14 {} Si 0.0 {0.223176 0.982127 0.108915} Si399 1191 0.0 -1 14 {} Si 0.0 {0.232296 0.982594 0.208392} Si400 1192 0.0 -1 8 {} O 0.0 {0.225089 0.945481 0.0867739} O793 1193 0.0 -1 8 {} O 0.0 {0.232468 0.970447 0.254866} O794 1194 0.0 -1 8 {} O 0.0 {0.222547 0.968666 0.0750724} O795 1195 0.0 -1 8 {} O 0.0 {0.230479 0.995407 0.247582} O796 1196 0.0 -1 8 {} O 0.0 {0.237745 0.986724 0.17555} O797 1197 0.0 -1 8 {} O 0.0 {0.228367 0.979999 0.153531} O798 1198 0.0 -1 8 {} O 0.0 {0.227473 0.955799 0.340638} O799 1199 0.0 -1 8 {} O 0.0 {0.218627 0.958847 0.294516} O800 1200 0.0 -1 14 {} Si 0.0 {0.221485 0.958865 0.363474} Si401 1201 0.0 -1 14 {} Si 0.0 {0.232469 0.956005 0.620069} Si402 1202 0.0 -1 14 {} Si 0.0 {0.222671 0.984662 0.444587} Si403 1203 0.0 -1 14 {} Si 0.0 {0.231775 0.980921 0.534459} Si404 1204 0.0 -1 8 {} O 0.0 {0.218148 0.947121 0.392015} O801 1205 0.0 -1 8 {} O 0.0 {0.232205 0.96931 0.581926} O802 1206 0.0 -1 8 {} O 0.0 {0.220801 0.973198 0.39609} O803 1207 0.0 -1 8 {} O 0.0 {0.230048 0.993682 0.574902} O804 1208 0.0 -1 8 {} O 0.0 {0.236946 0.984565 0.500285} O805 1209 0.0 -1 8 {} O 0.0 {0.226865 0.978431 0.489878} O806 1210 0.0 -1 8 {} O 0.0 {0.22745 0.951098 0.655778} O807 1211 0.0 -1 8 {} O 0.0 {0.218121 0.957864 0.621502} O808 1212 0.0 -1 14 {} Si 0.0 {0.221637 0.956963 0.686616} Si405 1213 0.0 -1 14 {} Si 0.0 {0.232357 0.958639 0.938791} Si406 1214 0.0 -1 14 {} Si 0.0 {0.222051 0.982893 0.765193} Si407 1215 0.0 -1 14 {} Si 0.0 {0.231499 0.983619 0.85977} Si408 1216 0.0 -1 8 {} O 0.0 {0.217658 0.94738 0.720155} O809 1217 0.0 -1 8 {} O 0.0 {0.231444 0.970231 0.892872} O810 1218 0.0 -1 8 {} O 0.0 {0.222073 0.97091 0.718312} O811 1219 0.0 -1 8 {} O 0.0 {0.230516 0.996437 0.897483} O812 1220 0.0 -1 8 {} O 0.0 {0.237315 0.986721 0.828641} O813 1221 0.0 -1 8 {} O 0.0 {0.227539 0.9844 0.805012} O814 1222 0.0 -1 8 {} O 0.0 {0.227364 0.956384 0.982047} O815 1223 0.0 -1 8 {} O 0.0 {0.217677 0.952205 0.998641} O816 1224 0.0 -1 14 {} Si 0.0 {0.22333 0.00797336 0.0370194} Si409 1225 0.0 -1 14 {} Si 0.0 {0.232022 0.0089881 0.27767} Si410 1226 0.0 -1 14 {} Si 0.0 {0.222861 0.0320038 0.120559} Si411 1227 0.0 -1 14 {} Si 0.0 {0.232989 0.0335648 0.198424} Si412 1228 0.0 -1 8 {} O 0.0 {0.224062 0.993641 0.0611112} O817 1229 0.0 -1 8 {} O 0.0 {0.233035 0.0192831 0.223292} O818 1230 0.0 -1 8 {} O 0.0 {0.223124 0.0180579 0.093205} O819 1231 0.0 -1 8 {} O 0.0 {0.233406 0.0439953 0.252557} O820 1232 0.0 -1 8 {} O 0.0 {0.23807 0.0354234 0.157753} O821 1233 0.0 -1 8 {} O 0.0 {0.228044 0.0360185 0.155301} O822 1234 0.0 -1 8 {} O 0.0 {0.227347 0.0131471 0.319163} O823 1235 0.0 -1 8 {} O 0.0 {0.218162 0.00633959 0.322848} O824 1236 0.0 -1 14 {} Si 0.0 {0.223085 0.00998739 0.37068} Si413 1237 0.0 -1 14 {} Si 0.0 {0.2311 0.0072436 0.609631} Si414 1238 0.0 -1 14 {} Si 0.0 {0.221466 0.034315 0.448714} Si415 1239 0.0 -1 14 {} Si 0.0 {0.230983 0.0329994 0.53399} Si416 1240 0.0 -1 8 {} O 0.0 {0.224677 0.997272 0.409553} O825 1241 0.0 -1 8 {} O 0.0 {0.23017 0.0186122 0.559416} O826 1242 0.0 -1 8 {} O 0.0 {0.220782 0.020919 0.415777} O827 1243 0.0 -1 8 {} O 0.0 {0.230318 0.0428717 0.589289} O828 1244 0.0 -1 8 {} O 0.0 {0.236815 0.0333213 0.506489} O829 1245 0.0 -1 8 {} O 0.0 {0.227138 0.0356878 0.477046} O830 1246 0.0 -1 8 {} O 0.0 {0.227175 0.00714152 0.664104} O831 1247 0.0 -1 8 {} O 0.0 {0.21637 0.0116632 0.640754} O832 1248 0.0 -1 14 {} Si 0.0 {0.221245 0.00892509 0.689673} Si417 1249 0.0 -1 14 {} Si 0.0 {0.23245 0.00883592 0.939499} Si418 1250 0.0 -1 14 {} Si 0.0 {0.221225 0.0330859 0.782973} Si419 1251 0.0 -1 14 {} Si 0.0 {0.231577 0.0333593 0.854451} Si420 1252 0.0 -1 8 {} O 0.0 {0.220787 0.996474 0.734172} O833 1253 0.0 -1 8 {} O 0.0 {0.23339 0.0216645 0.89795} O834 1254 0.0 -1 8 {} O 0.0 {0.219902 0.0202936 0.743396} O835 1255 0.0 -1 8 {} O 0.0 {0.230846 0.0461448 0.894747} O836 1256 0.0 -1 8 {} O 0.0 {0.236439 0.0345855 0.809599} O837 1257 0.0 -1 8 {} O 0.0 {0.226745 0.0306709 0.811866} O838 1258 0.0 -1 8 {} O 0.0 {0.228287 0.0123195 0.991829} O839 1259 0.0 -1 8 {} O 0.0 {0.21744 0.00777064 0.00355892} O840 1260 0.0 -1 14 {} Si 0.0 {0.221975 0.0561763 0.0390376} Si421 1261 0.0 -1 14 {} Si 0.0 {0.232309 0.0579775 0.286907} Si422 1262 0.0 -1 14 {} Si 0.0 {0.222139 0.0811968 0.117977} Si423 1263 0.0 -1 14 {} Si 0.0 {0.232497 0.0821477 0.202338} Si424 1264 0.0 -1 8 {} O 0.0 {0.221706 0.0415607 0.063912} O841 1265 0.0 -1 8 {} O 0.0 {0.233865 0.0688166 0.237027} O842 1266 0.0 -1 8 {} O 0.0 {0.221647 0.0668728 0.0910885} O843 1267 0.0 -1 8 {} O 0.0 {0.232751 0.0938904 0.253079} O844 1268 0.0 -1 8 {} O 0.0 {0.236506 0.0862577 0.147475} O845 1269 0.0 -1 8 {} O 0.0 {0.226977 0.0825774 0.168004} O846 1270 0.0 -1 8 {} O 0.0 {0.22691 0.060366 0.317764} O847 1271 0.0 -1 8 {} O 0.0 {0.216816 0.0614502 0.326248} O848 1272 0.0 -1 14 {} Si 0.0 {0.222158 0.0598462 0.36229} Si425 1273 0.0 -1 14 {} Si 0.0 {0.231509 0.0571606 0.619564} Si426 1274 0.0 -1 14 {} Si 0.0 {0.222808 0.08382 0.447783} Si427 1275 0.0 -1 14 {} Si 0.0 {0.232143 0.0834917 0.540956} Si428 1276 0.0 -1 8 {} O 0.0 {0.221504 0.0452079 0.393884} O849 1277 0.0 -1 8 {} O 0.0 {0.231592 0.06812 0.566666} O850 1278 0.0 -1 8 {} O 0.0 {0.222785 0.0700653 0.417352} O851 1279 0.0 -1 8 {} O 0.0 {0.231501 0.0940984 0.593724} O852 1280 0.0 -1 8 {} O 0.0 {0.237743 0.0853975 0.504537} O853 1281 0.0 -1 8 {} O 0.0 {0.227903 0.0875069 0.48726} O854 1282 0.0 -1 8 {} O 0.0 {0.226769 0.0618251 0.665038} O855 1283 0.0 -1 8 {} O 0.0 {0.216917 0.0568528 0.645472} O856 1284 0.0 -1 14 {} Si 0.0 {0.221453 0.0586725 0.698858} Si429 1285 0.0 -1 14 {} Si 0.0 {0.231603 0.0572809 0.944601} Si430 1286 0.0 -1 14 {} Si 0.0 {0.221267 0.0833709 0.777861} Si431 1287 0.0 -1 14 {} Si 0.0 {0.231283 0.0827688 0.86273} Si432 1288 0.0 -1 8 {} O 0.0 {0.221594 0.0456965 0.738736} O857 1289 0.0 -1 8 {} O 0.0 {0.231723 0.0719721 0.91402} O858 1290 0.0 -1 8 {} O 0.0 {0.219786 0.0704311 0.744958} O859 1291 0.0 -1 8 {} O 0.0 {0.231186 0.0976407 0.891701} O860 1292 0.0 -1 8 {} O 0.0 {0.236101 0.0822423 0.816127} O861 1293 0.0 -1 8 {} O 0.0 {0.225965 0.0812346 0.826603} O862 1294 0.0 -1 8 {} O 0.0 {0.227344 0.0581364 0.00029856} O863 1295 0.0 -1 8 {} O 0.0 {0.217577 0.0588575 0.987632} O864 1296 0.0 -1 14 {} Si 0.0 {0.241368 0.961249 0.03286} Si433 1297 0.0 -1 14 {} Si 0.0 {0.252423 0.958364 0.302248} Si434 1298 0.0 -1 14 {} Si 0.0 {0.242032 0.983761 0.126125} Si435 1299 0.0 -1 14 {} Si 0.0 {0.252038 0.982708 0.211303} Si436 1300 0.0 -1 8 {} O 0.0 {0.240666 0.94687 0.0561641} O865 1301 0.0 -1 8 {} O 0.0 {0.250794 0.971076 0.262367} O866 1302 0.0 -1 8 {} O 0.0 {0.240529 0.970389 0.0915835} O867 1303 0.0 -1 8 {} O 0.0 {0.251991 0.996318 0.244682} O868 1304 0.0 -1 8 {} O 0.0 {0.257585 0.979925 0.179449} O869 1305 0.0 -1 8 {} O 0.0 {0.247534 0.983124 0.161357} O870 1306 0.0 -1 8 {} O 0.0 {0.247703 0.9549 0.34835} O871 1307 0.0 -1 8 {} O 0.0 {0.237253 0.952489 0.322196} O872 1308 0.0 -1 14 {} Si 0.0 {0.241829 0.95663 0.368399} Si437 1309 0.0 -1 14 {} Si 0.0 {0.252393 0.96852 0.64371} Si438 1310 0.0 -1 14 {} Si 0.0 {0.2412 0.981352 0.446219} Si439 1311 0.0 -1 14 {} Si 0.0 {0.251608 0.982023 0.515657} Si440 1312 0.0 -1 8 {} O 0.0 {0.240904 0.946362 0.426668} O873 1313 0.0 -1 8 {} O 0.0 {0.252182 0.970962 0.570989} O874 1314 0.0 -1 8 {} O 0.0 {0.239757 0.969909 0.400177} O875 1315 0.0 -1 8 {} O 0.0 {0.251028 0.995534 0.54971} O876 1316 0.0 -1 8 {} O 0.0 {0.256824 0.985066 0.473345} O877 1317 0.0 -1 8 {} O 0.0 {0.246677 0.977489 0.473667} O878 1318 0.0 -1 8 {} O 0.0 {0.247767 0.959605 0.666667} O879 1319 0.0 -1 8 {} O 0.0 {0.237118 0.954257 0.667708} O880 1320 0.0 -1 14 {} Si 0.0 {0.242345 0.957328 0.710614} Si441 1321 0.0 -1 14 {} Si 0.0 {0.251393 0.962494 0.945969} Si442 1322 0.0 -1 14 {} Si 0.0 {0.242035 0.984467 0.777838} Si443 1323 0.0 -1 14 {} Si 0.0 {0.252733 0.986865 0.863282} Si444 1324 0.0 -1 8 {} O 0.0 {0.243784 0.945182 0.756509} O881 1325 0.0 -1 8 {} O 0.0 {0.251458 0.977022 0.916154} O882 1326 0.0 -1 8 {} O 0.0 {0.242035 0.96972 0.759236} O883 1327 0.0 -1 8 {} O 0.0 {0.253523 0.000540285 0.894799} O884 1328 0.0 -1 8 {} O 0.0 {0.257313 0.981497 0.820065} O885 1329 0.0 -1 8 {} O 0.0 {0.2477 0.986076 0.814408} O886 1330 0.0 -1 8 {} O 0.0 {0.247262 0.962829 0.00164632} O887 1331 0.0 -1 8 {} O 0.0 {0.236783 0.96369 0.982927} O888 1332 0.0 -1 14 {} Si 0.0 {0.241948 0.00667109 0.0256378} Si445 1333 0.0 -1 14 {} Si 0.0 {0.252192 0.00934711 0.286428} Si446 1334 0.0 -1 14 {} Si 0.0 {0.242744 0.0317396 0.107817} Si447 1335 0.0 -1 14 {} Si 0.0 {0.252188 0.034139 0.193446} Si448 1336 0.0 -1 8 {} O 0.0 {0.242254 0.995081 0.0757481} O889 1337 0.0 -1 8 {} O 0.0 {0.252766 0.0224035 0.243194} O890 1338 0.0 -1 8 {} O 0.0 {0.241497 0.0191788 0.066361} O891 1339 0.0 -1 8 {} O 0.0 {0.250118 0.0462621 0.232753} O892 1340 0.0 -1 8 {} O 0.0 {0.257528 0.0372612 0.163462} O893 1341 0.0 -1 8 {} O 0.0 {0.248038 0.0295008 0.142884} O894 1342 0.0 -1 8 {} O 0.0 {0.247625 0.0105465 0.334153} O895 1343 0.0 -1 8 {} O 0.0 {0.237473 0.00694045 0.312482} O896 1344 0.0 -1 14 {} Si 0.0 {0.242012 0.00717261 0.362501} Si449 1345 0.0 -1 14 {} Si 0.0 {0.251863 0.00744134 0.598146} Si450 1346 0.0 -1 14 {} Si 0.0 {0.241341 0.0303309 0.458125} Si451 1347 0.0 -1 14 {} Si 0.0 {0.252043 0.0333995 0.528607} Si452 1348 0.0 -1 8 {} O 0.0 {0.241774 0.99408 0.401918} O897 1349 0.0 -1 8 {} O 0.0 {0.253447 0.0200448 0.560215} O898 1350 0.0 -1 8 {} O 0.0 {0.240211 0.0172451 0.415897} O899 1351 0.0 -1 8 {} O 0.0 {0.25135 0.0439795 0.584128} O900 1352 0.0 -1 8 {} O 0.0 {0.256444 0.0390063 0.484114} O901 1353 0.0 -1 8 {} O 0.0 {0.246721 0.0298959 0.492945} O902 1354 0.0 -1 8 {} O 0.0 {0.246856 0.00778082 0.646851} O903 1355 0.0 -1 8 {} O 0.0 {0.237129 0.00956997 0.635236} O904 1356 0.0 -1 14 {} Si 0.0 {0.24155 0.00720789 0.684499} Si453 1357 0.0 -1 14 {} Si 0.0 {0.25259 0.0100726 0.952867} Si454 1358 0.0 -1 14 {} Si 0.0 {0.241935 0.0315745 0.775051} Si455 1359 0.0 -1 14 {} Si 0.0 {0.251605 0.033486 0.866079} Si456 1360 0.0 -1 8 {} O 0.0 {0.241348 0.993763 0.717811} O905 1361 0.0 -1 8 {} O 0.0 {0.251899 0.0240841 0.926282} O906 1362 0.0 -1 8 {} O 0.0 {0.241783 0.0184584 0.737872} O907 1363 0.0 -1 8 {} O 0.0 {0.251196 0.0477218 0.893191} O908 1364 0.0 -1 8 {} O 0.0 {0.256714 0.0313175 0.825508} O909 1365 0.0 -1 8 {} O 0.0 {0.246526 0.0302472 0.825263} O910 1366 0.0 -1 8 {} O 0.0 {0.247454 0.00533573 0.988856} O911 1367 0.0 -1 8 {} O 0.0 {0.237238 0.00392814 0.980153} O912 1368 0.0 -1 14 {} Si 0.0 {0.241976 0.0571663 0.025681} Si457 1369 0.0 -1 14 {} Si 0.0 {0.25102 0.0567813 0.283839} Si458 1370 0.0 -1 14 {} Si 0.0 {0.241566 0.081922 0.106331} Si459 1371 0.0 -1 14 {} Si 0.0 {0.251583 0.0813638 0.196298} Si460 1372 0.0 -1 8 {} O 0.0 {0.243606 0.0433535 0.0596034} O913 1373 0.0 -1 8 {} O 0.0 {0.250539 0.0708756 0.249634} O914 1374 0.0 -1 8 {} O 0.0 {0.240604 0.0677881 0.0783406} O915 1375 0.0 -1 8 {} O 0.0 {0.252061 0.095114 0.231796} O916 1376 0.0 -1 8 {} O 0.0 {0.257239 0.0792637 0.161687} O917 1377 0.0 -1 8 {} O 0.0 {0.246808 0.0822312 0.144979} O918 1378 0.0 -1 8 {} O 0.0 {0.246871 0.0564918 0.336848} O919 1379 0.0 -1 8 {} O 0.0 {0.236621 0.0594721 0.34119} O920 1380 0.0 -1 14 {} Si 0.0 {0.241858 0.056252 0.379479} Si461 1381 0.0 -1 14 {} Si 0.0 {0.25165 0.0580568 0.611442} Si462 1382 0.0 -1 14 {} Si 0.0 {0.241664 0.0820294 0.450917} Si463 1383 0.0 -1 14 {} Si 0.0 {0.25201 0.0826217 0.532766} Si464 1384 0.0 -1 8 {} O 0.0 {0.24121 0.0409999 0.407118} O921 1385 0.0 -1 8 {} O 0.0 {0.252759 0.0680532 0.556251} O922 1386 0.0 -1 8 {} O 0.0 {0.241916 0.0670954 0.431338} O923 1387 0.0 -1 8 {} O 0.0 {0.250993 0.0989154 0.599365} O924 1388 0.0 -1 8 {} O 0.0 {0.256305 0.0847011 0.480595} O925 1389 0.0 -1 8 {} O 0.0 {0.24707 0.084188 0.487165} O926 1390 0.0 -1 8 {} O 0.0 {0.246615 0.0624104 0.652198} O927 1391 0.0 -1 8 {} O 0.0 {0.236891 0.0590409 0.657159} O928 1392 0.0 -1 14 {} Si 0.0 {0.241987 0.0570612 0.696337} Si465 1393 0.0 -1 14 {} Si 0.0 {0.251937 0.0591854 0.943919} Si466 1394 0.0 -1 14 {} Si 0.0 {0.241895 0.0804859 0.784854} Si467 1395 0.0 -1 14 {} Si 0.0 {0.252442 0.0832662 0.859371} Si468 1396 0.0 -1 8 {} O 0.0 {0.243066 0.0427978 0.726957} O929 1397 0.0 -1 8 {} O 0.0 {0.253458 0.0727798 0.913524} O930 1398 0.0 -1 8 {} O 0.0 {0.242069 0.0656538 0.756683} O931 1399 0.0 -1 8 {} O 0.0 {0.253516 0.0973785 0.888901} O932 1400 0.0 -1 8 {} O 0.0 {0.256562 0.08063 0.801641} O933 1401 0.0 -1 8 {} O 0.0 {0.246497 0.0827859 0.836603} O934 1402 0.0 -1 8 {} O 0.0 {0.246631 0.0615584 0.981015} O935 1403 0.0 -1 8 {} O 0.0 {0.23691 0.0552174 0.980073} O936 1404 0.0 -1 14 {} Si 0.0 {0.2611 0.958368 0.0281469} Si469 1405 0.0 -1 14 {} Si 0.0 {0.271436 0.958938 0.268942} Si470 1406 0.0 -1 14 {} Si 0.0 {0.261105 0.981163 0.119863} Si471 1407 0.0 -1 14 {} Si 0.0 {0.271512 0.984201 0.193122} Si472 1408 0.0 -1 8 {} O 0.0 {0.261444 0.94479 0.0628881} O937 1409 0.0 -1 8 {} O 0.0 {0.270963 0.973626 0.246798} O938 1410 0.0 -1 8 {} O 0.0 {0.25993 0.969087 0.0779891} O939 1411 0.0 -1 8 {} O 0.0 {0.271026 0.997626 0.231069} O940 1412 0.0 -1 8 {} O 0.0 {0.277058 0.983241 0.160332} O941 1413 0.0 -1 8 {} O 0.0 {0.266992 0.981707 0.145471} O942 1414 0.0 -1 8 {} O 0.0 {0.26734 0.957504 0.323067} O943 1415 0.0 -1 8 {} O 0.0 {0.257655 0.958935 0.342974} O944 1416 0.0 -1 14 {} Si 0.0 {0.263197 0.960813 0.374758} Si473 1417 0.0 -1 14 {} Si 0.0 {0.272282 0.958551 0.608099} Si474 1418 0.0 -1 14 {} Si 0.0 {0.262624 0.987571 0.449289} Si475 1419 0.0 -1 14 {} Si 0.0 {0.272067 0.98493 0.539657} Si476 1420 0.0 -1 8 {} O 0.0 {0.263266 0.950766 0.43168} O945 1421 0.0 -1 8 {} O 0.0 {0.271993 0.972743 0.582934} O946 1422 0.0 -1 8 {} O 0.0 {0.263768 0.975501 0.404207} O947 1423 0.0 -1 8 {} O 0.0 {0.272741 0.998363 0.577118} O948 1424 0.0 -1 8 {} O 0.0 {0.276739 0.983222 0.486771} O949 1425 0.0 -1 8 {} O 0.0 {0.266348 0.985711 0.507858} O950 1426 0.0 -1 8 {} O 0.0 {0.267267 0.954994 0.648346} O951 1427 0.0 -1 8 {} O 0.0 {0.25771 0.96055 0.655559} O952 1428 0.0 -1 14 {} Si 0.0 {0.262798 0.95758 0.6985} Si477 1429 0.0 -1 14 {} Si 0.0 {0.271451 0.95704 0.955357} Si478 1430 0.0 -1 14 {} Si 0.0 {0.262799 0.982311 0.783617} Si479 1431 0.0 -1 14 {} Si 0.0 {0.272093 0.982037 0.8739} Si480 1432 0.0 -1 8 {} O 0.0 {0.262949 0.94399 0.73824} O953 1433 0.0 -1 8 {} O 0.0 {0.270984 0.968225 0.905435} O954 1434 0.0 -1 8 {} O 0.0 {0.263281 0.968141 0.754473} O955 1435 0.0 -1 8 {} O 0.0 {0.27292 0.992528 0.927495} O956 1436 0.0 -1 8 {} O 0.0 {0.277551 0.980731 0.836941} O957 1437 0.0 -1 8 {} O 0.0 {0.267658 0.985574 0.828409} O958 1438 0.0 -1 8 {} O 0.0 {0.267157 0.958837 0.00907307} O959 1439 0.0 -1 8 {} O 0.0 {0.257066 0.958821 0.970192} O960 1440 0.0 -1 14 {} Si 0.0 {0.26228 0.00718496 0.0435054} Si481 1441 0.0 -1 14 {} Si 0.0 {0.272177 0.0100972 0.273779} Si482 1442 0.0 -1 14 {} Si 0.0 {0.262352 0.0335965 0.119908} Si483 1443 0.0 -1 14 {} Si 0.0 {0.273036 0.0357337 0.195718} Si484 1444 0.0 -1 8 {} O 0.0 {0.260592 0.993972 0.0823076} O961 1445 0.0 -1 8 {} O 0.0 {0.273421 0.0230492 0.236975} O962 1446 0.0 -1 8 {} O 0.0 {0.261985 0.019821 0.0873988} O963 1447 0.0 -1 8 {} O 0.0 {0.273693 0.0485845 0.240174} O964 1448 0.0 -1 8 {} O 0.0 {0.276928 0.0361872 0.138609} O965 1449 0.0 -1 8 {} O 0.0 {0.26753 0.0359436 0.162684} O966 1450 0.0 -1 8 {} O 0.0 {0.267457 0.0131423 0.321803} O967 1451 0.0 -1 8 {} O 0.0 {0.257666 0.00788845 0.323119} O968 1452 0.0 -1 14 {} Si 0.0 {0.262666 0.0120277 0.366913} Si485 1453 0.0 -1 14 {} Si 0.0 {0.271886 0.0111196 0.619618} Si486 1454 0.0 -1 14 {} Si 0.0 {0.261762 0.0375432 0.449341} Si487 1455 0.0 -1 14 {} Si 0.0 {0.271864 0.0352852 0.531103} Si488 1456 0.0 -1 8 {} O 0.0 {0.263654 0.00104659 0.415169} O969 1457 0.0 -1 8 {} O 0.0 {0.27222 0.0245783 0.581622} O970 1458 0.0 -1 8 {} O 0.0 {0.261526 0.0254687 0.401305} O971 1459 0.0 -1 8 {} O 0.0 {0.273306 0.0491056 0.559515} O972 1460 0.0 -1 8 {} O 0.0 {0.275987 0.0319114 0.478785} O973 1461 0.0 -1 8 {} O 0.0 {0.266368 0.0359567 0.499961} O974 1462 0.0 -1 8 {} O 0.0 {0.26665 0.00926046 0.654785} O975 1463 0.0 -1 8 {} O 0.0 {0.25687 0.00402994 0.640801} O976 1464 0.0 -1 14 {} Si 0.0 {0.26149 0.00548578 0.690681} Si489 1465 0.0 -1 14 {} Si 0.0 {0.272185 0.00620723 0.962215} Si490 1466 0.0 -1 14 {} Si 0.0 {0.26102 0.0300376 0.770495} Si491 1467 0.0 -1 14 {} Si 0.0 {0.270649 0.0295579 0.864823} Si492 1468 0.0 -1 8 {} O 0.0 {0.261785 0.991838 0.727346} O977 1469 0.0 -1 8 {} O 0.0 {0.270239 0.0167651 0.911625} O978 1470 0.0 -1 8 {} O 0.0 {0.260184 0.01646 0.738053} O979 1471 0.0 -1 8 {} O 0.0 {0.270062 0.0427572 0.900119} O980 1472 0.0 -1 8 {} O 0.0 {0.276447 0.0298699 0.836412} O981 1473 0.0 -1 8 {} O 0.0 {0.266535 0.0306237 0.806627} O982 1474 0.0 -1 8 {} O 0.0 {0.267607 0.00424365 0.0106031} O983 1475 0.0 -1 8 {} O 0.0 {0.258121 0.00846046 0.989162} O984 1476 0.0 -1 14 {} Si 0.0 {0.262239 0.0559772 0.0239394} Si493 1477 0.0 -1 14 {} Si 0.0 {0.272393 0.0605207 0.284197} Si494 1478 0.0 -1 14 {} Si 0.0 {0.262218 0.0707386 0.147064} Si495 1479 0.0 -1 14 {} Si 0.0 {0.272341 0.0847319 0.190293} Si496 1480 0.0 -1 8 {} O 0.0 {0.263152 0.0430753 0.0615826} O985 1481 0.0 -1 8 {} O 0.0 {0.273548 0.0722817 0.237723} O986 1482 0.0 -1 8 {} O 0.0 {0.261865 0.0680382 0.0740657} O987 1483 0.0 -1 8 {} O 0.0 {0.271459 0.0982738 0.225937} O988 1484 0.0 -1 8 {} O 0.0 {0.276152 0.0876538 0.135708} O989 1485 0.0 -1 8 {} O 0.0 {0.26732 0.0803829 0.152807} O990 1486 0.0 -1 8 {} O 0.0 {0.266573 0.0627412 0.304928} O991 1487 0.0 -1 8 {} O 0.0 {0.256765 0.0569654 0.315731} O992 1488 0.0 -1 14 {} Si 0.0 {0.2619 0.0608902 0.354104} Si497 1489 0.0 -1 14 {} Si 0.0 {0.272336 0.0589689 0.616324} Si498 1490 0.0 -1 14 {} Si 0.0 {0.261606 0.0845318 0.440856} Si499 1491 0.0 -1 14 {} Si 0.0 {0.271121 0.0829113 0.531259} Si500 1492 0.0 -1 8 {} O 0.0 {0.262747 0.04981 0.403818} O993 1493 0.0 -1 8 {} O 0.0 {0.272022 0.072926 0.589219} O994 1494 0.0 -1 8 {} O 0.0 {0.261332 0.0750032 0.385929} O995 1495 0.0 -1 8 {} O 0.0 {0.271072 0.0968868 0.556925} O996 1496 0.0 -1 8 {} O 0.0 {0.27625 0.083018 0.483812} O997 1497 0.0 -1 8 {} O 0.0 {0.266339 0.0803856 0.484819} O998 1498 0.0 -1 8 {} O 0.0 {0.266865 0.0553625 0.648511} O999 1499 0.0 -1 8 {} O 0.0 {0.256908 0.0589177 0.651079} O1000 1500 0.0 -1 14 {} Si 0.0 {0.261977 0.0556217 0.690235} Si501 1501 0.0 -1 14 {} Si 0.0 {0.271701 0.0551853 0.938645} Si502 1502 0.0 -1 14 {} Si 0.0 {0.262209 0.0808794 0.773622} Si503 1503 0.0 -1 14 {} Si 0.0 {0.272227 0.0804468 0.854899} Si504 1504 0.0 -1 8 {} O 0.0 {0.261438 0.0419701 0.723799} O1001 1505 0.0 -1 8 {} O 0.0 {0.272051 0.0668637 0.888491} O1002 1506 0.0 -1 8 {} O 0.0 {0.262407 0.0669002 0.741878} O1003 1507 0.0 -1 8 {} O 0.0 {0.272083 0.0910985 0.911826} O1004 1508 0.0 -1 8 {} O 0.0 {0.276858 0.0836437 0.807891} O1005 1509 0.0 -1 8 {} O 0.0 {0.266813 0.0850441 0.818272} O1006 1510 0.0 -1 8 {} O 0.0 {0.267118 0.0593721 0.983422} O1007 1511 0.0 -1 8 {} O 0.0 {0.256606 0.0558219 0.991129} O1008 1512 0.0 -1 14 {} Si 0.0 {0.281822 0.962539 0.0332286} Si505 1513 0.0 -1 14 {} Si 0.0 {0.2915 0.962436 0.267531} Si506 1514 0.0 -1 14 {} Si 0.0 {0.281535 0.987594 0.111691} Si507 1515 0.0 -1 14 {} Si 0.0 {0.292232 0.987623 0.188169} Si508 1516 0.0 -1 8 {} O 0.0 {0.281422 0.952682 0.0938597} O1009 1517 0.0 -1 8 {} O 0.0 {0.292 0.97734 0.243759} O1010 1518 0.0 -1 8 {} O 0.0 {0.281741 0.976785 0.0588757} O1011 1519 0.0 -1 8 {} O 0.0 {0.292308 0.00184291 0.213378} O1012 1520 0.0 -1 8 {} O 0.0 {0.297896 0.984572 0.157682} O1013 1521 0.0 -1 8 {} O 0.0 {0.286922 0.984353 0.149689} O1014 1522 0.0 -1 8 {} O 0.0 {0.28672 0.957278 0.311692} O1015 1523 0.0 -1 8 {} O 0.0 {0.277087 0.957705 0.303388} O1016 1524 0.0 -1 14 {} Si 0.0 {0.281357 0.959101 0.355458} Si509 1525 0.0 -1 14 {} Si 0.0 {0.292138 0.956736 0.605514} Si510 1526 0.0 -1 14 {} Si 0.0 {0.281699 0.983694 0.443163} Si511 1527 0.0 -1 14 {} Si 0.0 {0.29203 0.980947 0.522928} Si512 1528 0.0 -1 8 {} O 0.0 {0.281497 0.945864 0.401667} O1017 1529 0.0 -1 8 {} O 0.0 {0.293763 0.96763 0.557908} O1018 1530 0.0 -1 8 {} O 0.0 {0.281129 0.972635 0.392811} O1019 1531 0.0 -1 8 {} O 0.0 {0.290636 0.991599 0.572077} O1020 1532 0.0 -1 8 {} O 0.0 {0.296693 0.984921 0.478727} O1021 1533 0.0 -1 8 {} O 0.0 {0.286711 0.979077 0.48133} O1022 1534 0.0 -1 8 {} O 0.0 {0.287234 0.959702 0.646982} O1023 1535 0.0 -1 8 {} O 0.0 {0.277153 0.955944 0.648832} O1024 1536 0.0 -1 14 {} Si 0.0 {0.282343 0.95685 0.689546} Si513 1537 0.0 -1 14 {} Si 0.0 {0.291482 0.960817 0.948657} Si514 1538 0.0 -1 14 {} Si 0.0 {0.281822 0.981427 0.77758} Si515 1539 0.0 -1 14 {} Si 0.0 {0.291605 0.983734 0.857189} Si516 1540 0.0 -1 8 {} O 0.0 {0.28267 0.943354 0.73065} O1025 1541 0.0 -1 8 {} O 0.0 {0.290224 0.974294 0.915256} O1026 1542 0.0 -1 8 {} O 0.0 {0.280657 0.968132 0.739937} O1027 1543 0.0 -1 8 {} O 0.0 {0.291159 0.997855 0.88872} O1028 1544 0.0 -1 8 {} O 0.0 {0.2974 0.982567 0.83082} O1029 1545 0.0 -1 8 {} O 0.0 {0.287506 0.981031 0.804409} O1030 1546 0.0 -1 8 {} O 0.0 {0.287096 0.957859 0.00139993} O1031 1547 0.0 -1 8 {} O 0.0 {0.277102 0.958134 0.988403} O1032 1548 0.0 -1 14 {} Si 0.0 {0.282917 0.0118581 0.030755} Si517 1549 0.0 -1 14 {} Si 0.0 {0.291465 0.0112246 0.273965} Si518 1550 0.0 -1 14 {} Si 0.0 {0.282551 0.0381312 0.109109} Si519 1551 0.0 -1 14 {} Si 0.0 {0.292287 0.0365857 0.201687} Si520 1552 0.0 -1 8 {} O 0.0 {0.281878 0.00220028 0.0882265} O1033 1553 0.0 -1 8 {} O 0.0 {0.290437 0.0255863 0.251652} O1034 1554 0.0 -1 8 {} O 0.0 {0.283718 0.0254696 0.0656878} O1035 1555 0.0 -1 8 {} O 0.0 {0.292901 0.0502675 0.236081} O1036 1556 0.0 -1 8 {} O 0.0 {0.29739 0.0329638 0.163689} O1037 1557 0.0 -1 8 {} O 0.0 {0.28723 0.0380196 0.159175} O1038 1558 0.0 -1 8 {} O 0.0 {0.286785 0.00525832 0.315345} O1039 1559 0.0 -1 8 {} O 0.0 {0.277052 0.00868264 0.319654} O1040 1560 0.0 -1 14 {} Si 0.0 {0.282205 0.00814711 0.362137} Si521 1561 0.0 -1 14 {} Si 0.0 {0.290889 0.00408131 0.612135} Si522 1562 0.0 -1 14 {} Si 0.0 {0.281714 0.0336642 0.44378} Si523 1563 0.0 -1 14 {} Si 0.0 {0.291299 0.0293733 0.528652} Si524 1564 0.0 -1 8 {} O 0.0 {0.282482 0.99816 0.417129} O1041 1565 0.0 -1 8 {} O 0.0 {0.290945 0.0157912 0.563847} O1042 1566 0.0 -1 8 {} O 0.0 {0.2831 0.0216662 0.396668} O1043 1567 0.0 -1 8 {} O 0.0 {0.292212 0.0400975 0.581322} O1044 1568 0.0 -1 8 {} O 0.0 {0.296277 0.0314967 0.48337} O1045 1569 0.0 -1 8 {} O 0.0 {0.285991 0.0327356 0.496394} O1046 1570 0.0 -1 8 {} O 0.0 {0.285754 0.0054667 0.653061} O1047 1571 0.0 -1 8 {} O 0.0 {0.276373 0.0118214 0.669832} O1048 1572 0.0 -1 14 {} Si 0.0 {0.281415 0.00736888 0.708024} Si525 1573 0.0 -1 14 {} Si 0.0 {0.292475 0.00799564 0.942405} Si526 1574 0.0 -1 14 {} Si 0.0 {0.281615 0.0310916 0.794069} Si527 1575 0.0 -1 14 {} Si 0.0 {0.292667 0.0340039 0.862603} Si528 1576 0.0 -1 8 {} O 0.0 {0.28083 0.993432 0.735518} O1049 1577 0.0 -1 8 {} O 0.0 {0.2925 0.0219637 0.910557} O1050 1578 0.0 -1 8 {} O 0.0 {0.282898 0.0176527 0.761575} O1051 1579 0.0 -1 8 {} O 0.0 {0.293985 0.0467846 0.900727} O1052 1580 0.0 -1 8 {} O 0.0 {0.296498 0.0330796 0.805357} O1053 1581 0.0 -1 8 {} O 0.0 {0.286746 0.0354365 0.835672} O1054 1582 0.0 -1 8 {} O 0.0 {0.28814 0.00850856 0.994271} O1055 1583 0.0 -1 8 {} O 0.0 {0.277728 0.0118257 0.991011} O1056 1584 0.0 -1 14 {} Si 0.0 {0.281932 0.0600033 0.0118715} Si529 1585 0.0 -1 14 {} Si 0.0 {0.292035 0.0622432 0.282583} Si530 1586 0.0 -1 14 {} Si 0.0 {0.281759 0.0852994 0.0985592} Si531 1587 0.0 -1 14 {} Si 0.0 {0.291408 0.0845076 0.186291} Si532 1588 0.0 -1 8 {} O 0.0 {0.282642 0.0508022 0.0693468} O1057 1589 0.0 -1 8 {} O 0.0 {0.291518 0.07573 0.248051} O1058 1590 0.0 -1 8 {} O 0.0 {0.281086 0.0746051 0.0408921} O1059 1591 0.0 -1 8 {} O 0.0 {0.291277 0.100451 0.205632} O1060 1592 0.0 -1 8 {} O 0.0 {0.296899 0.0838508 0.15307} O1061 1593 0.0 -1 8 {} O 0.0 {0.286577 0.0814216 0.140214} O1062 1594 0.0 -1 8 {} O 0.0 {0.286675 0.0587873 0.317572} O1063 1595 0.0 -1 8 {} O 0.0 {0.276603 0.0610449 0.337753} O1064 1596 0.0 -1 14 {} Si 0.0 {0.282075 0.0602477 0.367656} Si533 1597 0.0 -1 14 {} Si 0.0 {0.292277 0.0536065 0.619171} Si534 1598 0.0 -1 14 {} Si 0.0 {0.282028 0.0840942 0.456195} Si535 1599 0.0 -1 14 {} Si 0.0 {0.291406 0.0790105 0.543939} Si536 1600 0.0 -1 8 {} O 0.0 {0.282237 0.0472208 0.411257} O1065 1601 0.0 -1 8 {} O 0.0 {0.290454 0.0644096 0.570167} O1066 1602 0.0 -1 8 {} O 0.0 {0.283597 0.0728164 0.409497} O1067 1603 0.0 -1 8 {} O 0.0 {0.292329 0.0878357 0.604249} O1068 1604 0.0 -1 8 {} O 0.0 {0.296641 0.0805609 0.499558} O1069 1605 0.0 -1 8 {} O 0.0 {0.286321 0.0848958 0.510941} O1070 1606 0.0 -1 8 {} O 0.0 {0.287368 0.0531128 0.669487} O1071 1607 0.0 -1 8 {} O 0.0 {0.277576 0.0591659 0.65846} O1072 1608 0.0 -1 14 {} Si 0.0 {0.282101 0.0548263 0.707628} Si537 1609 0.0 -1 14 {} Si 0.0 {0.293093 0.0587934 0.943372} Si538 1610 0.0 -1 14 {} Si 0.0 {0.282556 0.0807958 0.778366} Si539 1611 0.0 -1 14 {} Si 0.0 {0.292342 0.0842756 0.859296} Si540 1612 0.0 -1 8 {} O 0.0 {0.280195 0.042326 0.746132} O1073 1613 0.0 -1 8 {} O 0.0 {0.293949 0.0719948 0.904378} O1074 1614 0.0 -1 8 {} O 0.0 {0.282568 0.0660893 0.757895} O1075 1615 0.0 -1 8 {} O 0.0 {0.293209 0.0969142 0.905172} O1076 1616 0.0 -1 8 {} O 0.0 {0.296265 0.0847625 0.800975} O1077 1617 0.0 -1 8 {} O 0.0 {0.286836 0.084667 0.829571} O1078 1618 0.0 -1 8 {} O 0.0 {0.28719 0.0597872 0.969796} O1079 1619 0.0 -1 8 {} O 0.0 {0.277071 0.054485 0.972347} O1080 1620 0.0 -1 14 {} Si 0.0 {0.301555 0.956576 0.0318422} Si541 1621 0.0 -1 14 {} Si 0.0 {0.311922 0.961319 0.283956} Si542 1622 0.0 -1 14 {} Si 0.0 {0.302665 0.982259 0.109602} Si543 1623 0.0 -1 14 {} Si 0.0 {0.312435 0.985017 0.191645} Si544 1624 0.0 -1 8 {} O 0.0 {0.300921 0.943927 0.0705169} O1081 1625 0.0 -1 8 {} O 0.0 {0.311496 0.974196 0.24502} O1082 1626 0.0 -1 8 {} O 0.0 {0.301875 0.968365 0.0830771} O1083 1627 0.0 -1 8 {} O 0.0 {0.311776 0.998576 0.230406} O1084 1628 0.0 -1 8 {} O 0.0 {0.31828 0.985187 0.164191} O1085 1629 0.0 -1 8 {} O 0.0 {0.308505 0.981953 0.137386} O1086 1630 0.0 -1 8 {} O 0.0 {0.306995 0.958873 0.325629} O1087 1631 0.0 -1 8 {} O 0.0 {0.296643 0.959802 0.306536} O1088 1632 0.0 -1 14 {} Si 0.0 {0.301313 0.961873 0.353476} Si545 1633 0.0 -1 14 {} Si 0.0 {0.311463 0.959788 0.605212} Si546 1634 0.0 -1 14 {} Si 0.0 {0.301606 0.987238 0.434106} Si547 1635 0.0 -1 14 {} Si 0.0 {0.311817 0.983657 0.519514} Si548 1636 0.0 -1 8 {} O 0.0 {0.299552 0.952945 0.412166} O1089 1637 0.0 -1 8 {} O 0.0 {0.310809 0.969796 0.546897} O1090 1638 0.0 -1 8 {} O 0.0 {0.30145 0.976094 0.381034} O1091 1639 0.0 -1 8 {} O 0.0 {0.312735 0.9936 0.574968} O1092 1640 0.0 -1 8 {} O 0.0 {0.316878 0.984825 0.4733} O1093 1641 0.0 -1 8 {} O 0.0 {0.306611 0.98641 0.481891} O1094 1642 0.0 -1 8 {} O 0.0 {0.306738 0.95715 0.649866} O1095 1643 0.0 -1 8 {} O 0.0 {0.296397 0.95346 0.656534} O1096 1644 0.0 -1 14 {} Si 0.0 {0.301828 0.95555 0.693962} Si549 1645 0.0 -1 14 {} Si 0.0 {0.311492 0.954485 0.950364} Si550 1646 0.0 -1 14 {} Si 0.0 {0.301889 0.979597 0.778596} Si551 1647 0.0 -1 14 {} Si 0.0 {0.311866 0.979678 0.863351} Si552 1648 0.0 -1 8 {} O 0.0 {0.302659 0.941683 0.727727} O1097 1649 0.0 -1 8 {} O 0.0 {0.310979 0.966074 0.896484} O1098 1650 0.0 -1 8 {} O 0.0 {0.301231 0.965674 0.751978} O1099 1651 0.0 -1 8 {} O 0.0 {0.312025 0.990513 0.914125} O1100 1652 0.0 -1 8 {} O 0.0 {0.317263 0.981827 0.824538} O1101 1653 0.0 -1 8 {} O 0.0 {0.307244 0.982104 0.81523} O1102 1654 0.0 -1 8 {} O 0.0 {0.306998 0.954929 0.00105174} O1103 1655 0.0 -1 8 {} O 0.0 {0.296989 0.958394 0.979} O1104 1656 0.0 -1 14 {} Si 0.0 {0.302636 0.00768252 0.0255359} Si553 1657 0.0 -1 14 {} Si 0.0 {0.312215 0.0103358 0.279236} Si554 1658 0.0 -1 14 {} Si 0.0 {0.302217 0.0304017 0.117636} Si555 1659 0.0 -1 14 {} Si 0.0 {0.312758 0.034529 0.192263} Si556 1660 0.0 -1 8 {} O 0.0 {0.302637 0.993656 0.0588643} O1105 1661 0.0 -1 8 {} O 0.0 {0.313423 0.0235711 0.243642} O1106 1662 0.0 -1 8 {} O 0.0 {0.301391 0.0168532 0.0822668} O1107 1663 0.0 -1 8 {} O 0.0 {0.311853 0.0482809 0.228824} O1108 1664 0.0 -1 8 {} O 0.0 {0.31793 0.0350913 0.152252} O1109 1665 0.0 -1 8 {} O 0.0 {0.307813 0.0305126 0.151997} O1110 1666 0.0 -1 8 {} O 0.0 {0.306964 0.0118687 0.315934} O1111 1667 0.0 -1 8 {} O 0.0 {0.296689 0.0109129 0.315894} O1112 1668 0.0 -1 14 {} Si 0.0 {0.301638 0.0125984 0.358356} Si557 1669 0.0 -1 14 {} Si 0.0 {0.311651 0.00663265 0.610473} Si558 1670 0.0 -1 14 {} Si 0.0 {0.301552 0.0360162 0.447347} Si559 1671 0.0 -1 14 {} Si 0.0 {0.31199 0.0322575 0.532665} Si560 1672 0.0 -1 8 {} O 0.0 {0.301848 0.00205918 0.411546} O1113 1673 0.0 -1 8 {} O 0.0 {0.31091 0.0183421 0.563817} O1114 1674 0.0 -1 8 {} O 0.0 {0.30161 0.0271872 0.387656} O1115 1675 0.0 -1 8 {} O 0.0 {0.313459 0.0425497 0.584856} O1116 1676 0.0 -1 8 {} O 0.0 {0.316356 0.0324199 0.479955} O1117 1677 0.0 -1 8 {} O 0.0 {0.30664 0.0353356 0.495223} O1118 1678 0.0 -1 8 {} O 0.0 {0.306351 0.00435147 0.649818} O1119 1679 0.0 -1 8 {} O 0.0 {0.29614 0.00555501 0.652165} O1120 1680 0.0 -1 14 {} Si 0.0 {0.301424 0.00330821 0.693176} Si561 1681 0.0 -1 14 {} Si 0.0 {0.312224 0.00527706 0.941082} Si562 1682 0.0 -1 14 {} Si 0.0 {0.301749 0.0295791 0.767189} Si563 1683 0.0 -1 14 {} Si 0.0 {0.311684 0.0294826 0.858593} Si564 1684 0.0 -1 8 {} O 0.0 {0.301317 0.989046 0.72191} O1121 1685 0.0 -1 8 {} O 0.0 {0.312053 0.0152321 0.884349} O1122 1686 0.0 -1 8 {} O 0.0 {0.301266 0.0150719 0.739149} O1123 1687 0.0 -1 8 {} O 0.0 {0.311513 0.0405996 0.910877} O1124 1688 0.0 -1 8 {} O 0.0 {0.316999 0.0341685 0.819146} O1125 1689 0.0 -1 8 {} O 0.0 {0.306524 0.0289232 0.816286} O1126 1690 0.0 -1 8 {} O 0.0 {0.308458 0.0101257 0.997715} O1127 1691 0.0 -1 8 {} O 0.0 {0.298249 0.00662873 0.973058} O1128 1692 0.0 -1 14 {} Si 0.0 {0.30268 0.0559442 0.0364484} Si565 1693 0.0 -1 14 {} Si 0.0 {0.312186 0.0579886 0.288813} Si566 1694 0.0 -1 14 {} Si 0.0 {0.302716 0.0796017 0.124354} Si567 1695 0.0 -1 14 {} Si 0.0 {0.312614 0.0828142 0.210261} Si568 1696 0.0 -1 8 {} O 0.0 {0.302286 0.0412843 0.0631388} O1129 1697 0.0 -1 8 {} O 0.0 {0.312367 0.072534 0.264938} O1130 1698 0.0 -1 8 {} O 0.0 {0.302452 0.0655289 0.0925648} O1131 1699 0.0 -1 8 {} O 0.0 {0.31216 0.0964615 0.246043} O1132 1700 0.0 -1 8 {} O 0.0 {0.317788 0.0825624 0.167007} O1133 1701 0.0 -1 8 {} O 0.0 {0.307505 0.081864 0.167358} O1134 1702 0.0 -1 8 {} O 0.0 {0.306979 0.0565281 0.330497} O1135 1703 0.0 -1 8 {} O 0.0 {0.297041 0.0627564 0.327918} O1136 1704 0.0 -1 14 {} Si 0.0 {0.302119 0.0611649 0.370355} Si569 1705 0.0 -1 14 {} Si 0.0 {0.312919 0.0561197 0.617986} Si570 1706 0.0 -1 14 {} Si 0.0 {0.30199 0.0832286 0.466694} Si571 1707 0.0 -1 14 {} Si 0.0 {0.312631 0.0804107 0.536642} Si572 1708 0.0 -1 8 {} O 0.0 {0.301372 0.0510221 0.42591} O1137 1709 0.0 -1 8 {} O 0.0 {0.313307 0.0661584 0.559922} O1138 1710 0.0 -1 8 {} O 0.0 {0.302953 0.075052 0.407145} O1139 1711 0.0 -1 8 {} O 0.0 {0.314008 0.0895127 0.597194} O1140 1712 0.0 -1 8 {} O 0.0 {0.317489 0.0833548 0.489638} O1141 1713 0.0 -1 8 {} O 0.0 {0.306859 0.0837694 0.511615} O1142 1714 0.0 -1 8 {} O 0.0 {0.30724 0.0581017 0.647834} O1143 1715 0.0 -1 8 {} O 0.0 {0.297371 0.0569717 0.655079} O1144 1716 0.0 -1 14 {} Si 0.0 {0.302433 0.0552664 0.695706} Si573 1717 0.0 -1 14 {} Si 0.0 {0.311841 0.0547204 0.938731} Si574 1718 0.0 -1 14 {} Si 0.0 {0.301998 0.0813354 0.774613} Si575 1719 0.0 -1 14 {} Si 0.0 {0.311644 0.0796356 0.859835} Si576 1720 0.0 -1 8 {} O 0.0 {0.302997 0.0404846 0.718855} O1145 1721 0.0 -1 8 {} O 0.0 {0.311638 0.0653078 0.883863} O1146 1722 0.0 -1 8 {} O 0.0 {0.302069 0.0660619 0.749986} O1147 1723 0.0 -1 8 {} O 0.0 {0.312066 0.0889306 0.920908} O1148 1724 0.0 -1 8 {} O 0.0 {0.316713 0.0847553 0.81781} O1149 1725 0.0 -1 8 {} O 0.0 {0.306421 0.0832505 0.824792} O1150 1726 0.0 -1 8 {} O 0.0 {0.307389 0.0578849 0.992216} O1151 1727 0.0 -1 8 {} O 0.0 {0.29746 0.0586832 0.996015} O1152 1728 0.0 -1 14 {} Si 0.0 {0.321761 0.956359 0.0254573} Si577 1729 0.0 -1 14 {} Si 0.0 {0.332876 0.958073 0.281961} Si578 1730 0.0 -1 14 {} Si 0.0 {0.321772 0.981289 0.104288} Si579 1731 0.0 -1 14 {} Si 0.0 {0.331973 0.981604 0.193683} Si580 1732 0.0 -1 8 {} O 0.0 {0.321301 0.943891 0.0681468} O1153 1733 0.0 -1 8 {} O 0.0 {0.333676 0.968282 0.22697} O1154 1734 0.0 -1 8 {} O 0.0 {0.320733 0.96839 0.0689212} O1155 1735 0.0 -1 8 {} O 0.0 {0.330947 0.992435 0.245716} O1156 1736 0.0 -1 8 {} O 0.0 {0.337179 0.985068 0.153292} O1157 1737 0.0 -1 8 {} O 0.0 {0.327234 0.979113 0.142034} O1158 1738 0.0 -1 8 {} O 0.0 {0.32749 0.960496 0.315842} O1159 1739 0.0 -1 8 {} O 0.0 {0.31738 0.959817 0.320134} O1160 1740 0.0 -1 14 {} Si 0.0 {0.32265 0.959929 0.360382} Si581 1741 0.0 -1 14 {} Si 0.0 {0.332501 0.961539 0.601793} Si582 1742 0.0 -1 14 {} Si 0.0 {0.32244 0.984526 0.443562} Si583 1743 0.0 -1 14 {} Si 0.0 {0.332571 0.987093 0.528056} Si584 1744 0.0 -1 8 {} O 0.0 {0.322745 0.946085 0.396048} O1161 1745 0.0 -1 8 {} O 0.0 {0.333823 0.9761 0.580509} O1162 1746 0.0 -1 8 {} O 0.0 {0.323052 0.970426 0.416826} O1163 1747 0.0 -1 8 {} O 0.0 {0.333151 0.000470789 0.567995} O1164 1748 0.0 -1 8 {} O 0.0 {0.336725 0.984563 0.474865} O1165 1749 0.0 -1 8 {} O 0.0 {0.326901 0.987381 0.494467} O1166 1750 0.0 -1 8 {} O 0.0 {0.327049 0.962397 0.633702} O1167 1751 0.0 -1 8 {} O 0.0 {0.316611 0.962989 0.645303} O1168 1752 0.0 -1 14 {} Si 0.0 {0.322123 0.95984 0.679994} Si585 1753 0.0 -1 14 {} Si 0.0 {0.331801 0.962716 0.948553} Si586 1754 0.0 -1 14 {} Si 0.0 {0.321954 0.982174 0.775587} Si587 1755 0.0 -1 14 {} Si 0.0 {0.331485 0.98716 0.867391} Si588 1756 0.0 -1 8 {} O 0.0 {0.321798 0.944419 0.690895} O1169 1757 0.0 -1 8 {} O 0.0 {0.330855 0.976636 0.922872} O1170 1758 0.0 -1 8 {} O 0.0 {0.322527 0.968471 0.742649} O1171 1759 0.0 -1 8 {} O 0.0 {0.332082 0.00193158 0.890345} O1172 1760 0.0 -1 8 {} O 0.0 {0.336971 0.983178 0.833983} O1173 1761 0.0 -1 8 {} O 0.0 {0.326769 0.985993 0.819044} O1174 1762 0.0 -1 8 {} O 0.0 {0.32782 0.956456 0.99518} O1175 1763 0.0 -1 8 {} O 0.0 {0.317384 0.954445 0.972254} O1176 1764 0.0 -1 14 {} Si 0.0 {0.322511 0.00671343 0.0279629} Si589 1765 0.0 -1 14 {} Si 0.0 {0.332548 0.00611428 0.273821} Si590 1766 0.0 -1 14 {} Si 0.0 {0.322531 0.0321357 0.102228} Si591 1767 0.0 -1 14 {} Si 0.0 {0.332748 0.0306744 0.186225} Si592 1768 0.0 -1 8 {} O 0.0 {0.322181 0.992784 0.054051} O1177 1769 0.0 -1 8 {} O 0.0 {0.333087 0.0171719 0.21917} O1178 1770 0.0 -1 8 {} O 0.0 {0.321587 0.0179195 0.0788202} O1179 1771 0.0 -1 8 {} O 0.0 {0.331488 0.0404296 0.243721} O1180 1772 0.0 -1 8 {} O 0.0 {0.337857 0.0343783 0.149778} O1181 1773 0.0 -1 8 {} O 0.0 {0.328043 0.0328393 0.136731} O1182 1774 0.0 -1 8 {} O 0.0 {0.32766 0.0112095 0.310865} O1183 1775 0.0 -1 8 {} O 0.0 {0.317423 0.00772753 0.320778} O1184 1776 0.0 -1 14 {} Si 0.0 {0.322744 0.00927975 0.356115} Si593 1777 0.0 -1 14 {} Si 0.0 {0.331841 0.0101997 0.620327} Si594 1778 0.0 -1 14 {} Si 0.0 {0.322149 0.032677 0.448903} Si595 1779 0.0 -1 14 {} Si 0.0 {0.331683 0.0350935 0.538541} Si596 1780 0.0 -1 8 {} O 0.0 {0.323076 0.995104 0.390953} O1185 1781 0.0 -1 8 {} O 0.0 {0.33285 0.0246952 0.594875} O1186 1782 0.0 -1 8 {} O 0.0 {0.322437 0.0205844 0.404512} O1187 1783 0.0 -1 8 {} O 0.0 {0.33091 0.0488571 0.566709} O1188 1784 0.0 -1 8 {} O 0.0 {0.336552 0.0336348 0.494056} O1189 1785 0.0 -1 8 {} O 0.0 {0.326713 0.0305729 0.500698} O1190 1786 0.0 -1 8 {} O 0.0 {0.326247 0.00908293 0.647557} O1191 1787 0.0 -1 8 {} O 0.0 {0.316127 0.0102575 0.659447} O1192 1788 0.0 -1 14 {} Si 0.0 {0.321411 0.0074002 0.693304} Si597 1789 0.0 -1 14 {} Si 0.0 {0.332544 0.0115935 0.947416} Si598 1790 0.0 -1 14 {} Si 0.0 {0.322215 0.0321286 0.779385} Si599 1791 0.0 -1 14 {} Si 0.0 {0.332052 0.035627 0.863502} Si600 1792 0.0 -1 8 {} O 0.0 {0.321789 0.992669 0.71972} O1193 1793 0.0 -1 8 {} O 0.0 {0.332576 0.0259541 0.920424} O1194 1794 0.0 -1 8 {} O 0.0 {0.321655 0.018322 0.745747} O1195 1795 0.0 -1 8 {} O 0.0 {0.331972 0.0497343 0.890377} O1196 1796 0.0 -1 8 {} O 0.0 {0.337581 0.0341795 0.823309} O1197 1797 0.0 -1 8 {} O 0.0 {0.326831 0.0316903 0.825194} O1198 1798 0.0 -1 8 {} O 0.0 {0.32777 0.01043 0.994027} O1199 1799 0.0 -1 8 {} O 0.0 {0.317844 0.00672073 0.976132} O1200 1800 0.0 -1 14 {} Si 0.0 {0.32238 0.0563996 0.0193371} Si601 1801 0.0 -1 14 {} Si 0.0 {0.331821 0.0543516 0.272124} Si602 1802 0.0 -1 14 {} Si 0.0 {0.321728 0.0808017 0.11154} Si603 1803 0.0 -1 14 {} Si 0.0 {0.33218 0.0788249 0.182966} Si604 1804 0.0 -1 8 {} O 0.0 {0.322575 0.0421486 0.0459613} O1201 1805 0.0 -1 8 {} O 0.0 {0.331164 0.0653921 0.219614} O1202 1806 0.0 -1 8 {} O 0.0 {0.3209 0.0681128 0.0684538} O1203 1807 0.0 -1 8 {} O 0.0 {0.332124 0.0900236 0.235217} O1204 1808 0.0 -1 8 {} O 0.0 {0.338083 0.0777186 0.154146} O1205 1809 0.0 -1 8 {} O 0.0 {0.327481 0.0818976 0.137222} O1206 1810 0.0 -1 8 {} O 0.0 {0.327562 0.0586667 0.320441} O1207 1811 0.0 -1 8 {} O 0.0 {0.317266 0.0540482 0.328759} O1208 1812 0.0 -1 14 {} Si 0.0 {0.322556 0.0563685 0.363491} Si605 1813 0.0 -1 14 {} Si 0.0 {0.332207 0.0599255 0.616583} Si606 1814 0.0 -1 14 {} Si 0.0 {0.32269 0.0818498 0.450232} Si607 1815 0.0 -1 14 {} Si 0.0 {0.332613 0.0839782 0.531013} Si608 1816 0.0 -1 8 {} O 0.0 {0.323873 0.0452588 0.41154} O1209 1817 0.0 -1 8 {} O 0.0 {0.333205 0.0742939 0.587747} O1210 1818 0.0 -1 8 {} O 0.0 {0.32199 0.0695047 0.404427} O1211 1819 0.0 -1 8 {} O 0.0 {0.331291 0.0982779 0.561755} O1212 1820 0.0 -1 8 {} O 0.0 {0.337964 0.085216 0.492301} O1213 1821 0.0 -1 8 {} O 0.0 {0.327583 0.080332 0.492795} O1214 1822 0.0 -1 8 {} O 0.0 {0.327317 0.0628165 0.663173} O1215 1823 0.0 -1 8 {} O 0.0 {0.317326 0.0582757 0.669972} O1216 1824 0.0 -1 14 {} Si 0.0 {0.322708 0.0573019 0.705336} Si609 1825 0.0 -1 14 {} Si 0.0 {0.332634 0.0608957 0.938479} Si610 1826 0.0 -1 14 {} Si 0.0 {0.322242 0.0821794 0.787381} Si611 1827 0.0 -1 14 {} Si 0.0 {0.332482 0.0871949 0.868391} Si612 1828 0.0 -1 8 {} O 0.0 {0.323206 0.0429608 0.72857} O1217 1829 0.0 -1 8 {} O 0.0 {0.33341 0.0748517 0.910784} O1218 1830 0.0 -1 8 {} O 0.0 {0.322624 0.0674647 0.762523} O1219 1831 0.0 -1 8 {} O 0.0 {0.333535 0.100322 0.909675} O1220 1832 0.0 -1 8 {} O 0.0 {0.337314 0.0885341 0.821209} O1221 1833 0.0 -1 8 {} O 0.0 {0.327081 0.0862473 0.833145} O1222 1834 0.0 -1 8 {} O 0.0 {0.327118 0.0613964 0.976961} O1223 1835 0.0 -1 8 {} O 0.0 {0.317524 0.0558017 0.972972} O1224 1836 0.0 -1 14 {} Si 0.0 {0.341446 0.957305 0.0300149} Si613 1837 0.0 -1 14 {} Si 0.0 {0.352656 0.959568 0.279525} Si614 1838 0.0 -1 14 {} Si 0.0 {0.342503 0.980975 0.117585} Si615 1839 0.0 -1 14 {} Si 0.0 {0.352122 0.985378 0.20618} Si616 1840 0.0 -1 8 {} O 0.0 {0.340671 0.942861 0.0554296} O1225 1841 0.0 -1 8 {} O 0.0 {0.35337 0.973486 0.247834} O1226 1842 0.0 -1 8 {} O 0.0 {0.341413 0.966776 0.0901605} O1227 1843 0.0 -1 8 {} O 0.0 {0.35076 0.999086 0.239193} O1228 1844 0.0 -1 8 {} O 0.0 {0.35734 0.988717 0.164659} O1229 1845 0.0 -1 8 {} O 0.0 {0.347523 0.982152 0.158015} O1230 1846 0.0 -1 8 {} O 0.0 {0.347822 0.958424 0.325317} O1231 1847 0.0 -1 8 {} O 0.0 {0.337738 0.957288 0.330563} O1232 1848 0.0 -1 14 {} Si 0.0 {0.342849 0.961629 0.3661} Si617 1849 0.0 -1 14 {} Si 0.0 {0.351359 0.959229 0.608096} Si618 1850 0.0 -1 14 {} Si 0.0 {0.342225 0.986489 0.444622} Si619 1851 0.0 -1 14 {} Si 0.0 {0.352391 0.984168 0.528032} Si620 1852 0.0 -1 8 {} O 0.0 {0.343263 0.952426 0.425451} O1233 1853 0.0 -1 8 {} O 0.0 {0.352153 0.973392 0.582037} O1234 1854 0.0 -1 8 {} O 0.0 {0.34309 0.976557 0.387404} O1235 1855 0.0 -1 8 {} O 0.0 {0.351585 0.998632 0.553889} O1236 1856 0.0 -1 8 {} O 0.0 {0.357825 0.984008 0.489309} O1237 1857 0.0 -1 8 {} O 0.0 {0.347075 0.98245 0.486577} O1238 1858 0.0 -1 8 {} O 0.0 {0.346693 0.95902 0.656771} O1239 1859 0.0 -1 8 {} O 0.0 {0.336824 0.955199 0.647086} O1240 1860 0.0 -1 14 {} Si 0.0 {0.341335 0.957282 0.696694} Si621 1861 0.0 -1 14 {} Si 0.0 {0.352298 0.957446 0.952339} Si622 1862 0.0 -1 14 {} Si 0.0 {0.341889 0.98148 0.783595} Si623 1863 0.0 -1 14 {} Si 0.0 {0.352656 0.981482 0.862119} Si624 1864 0.0 -1 8 {} O 0.0 {0.342685 0.942862 0.726584} O1241 1865 0.0 -1 8 {} O 0.0 {0.353158 0.96917 0.904558} O1242 1866 0.0 -1 8 {} O 0.0 {0.341254 0.967466 0.753141} O1243 1867 0.0 -1 8 {} O 0.0 {0.352223 0.994074 0.90515} O1244 1868 0.0 -1 8 {} O 0.0 {0.357606 0.983536 0.817253} O1245 1869 0.0 -1 8 {} O 0.0 {0.347885 0.982518 0.816305} O1246 1870 0.0 -1 8 {} O 0.0 {0.347263 0.958055 0.996098} O1247 1871 0.0 -1 8 {} O 0.0 {0.337585 0.961052 0.975437} O1248 1872 0.0 -1 14 {} Si 0.0 {0.342808 0.0057209 0.0277849} Si625 1873 0.0 -1 14 {} Si 0.0 {0.352441 0.0103853 0.284083} Si626 1874 0.0 -1 14 {} Si 0.0 {0.342688 0.0303657 0.107402} Si627 1875 0.0 -1 14 {} Si 0.0 {0.352718 0.0350822 0.191716} Si628 1876 0.0 -1 8 {} O 0.0 {0.342518 0.991749 0.0605534} O1249 1877 0.0 -1 8 {} O 0.0 {0.352792 0.0232455 0.239762} O1250 1878 0.0 -1 8 {} O 0.0 {0.342481 0.0152367 0.0851239} O1251 1879 0.0 -1 8 {} O 0.0 {0.351778 0.0478315 0.229137} O1252 1880 0.0 -1 8 {} O 0.0 {0.358431 0.03463 0.160262} O1253 1881 0.0 -1 8 {} O 0.0 {0.348017 0.0325942 0.145235} O1254 1882 0.0 -1 8 {} O 0.0 {0.348005 0.0144943 0.332585} O1255 1883 0.0 -1 8 {} O 0.0 {0.33787 0.00625547 0.313178} O1256 1884 0.0 -1 14 {} Si 0.0 {0.342195 0.011709 0.359711} Si629 1885 0.0 -1 14 {} Si 0.0 {0.351719 0.00877844 0.60859} Si630 1886 0.0 -1 14 {} Si 0.0 {0.34151 0.0348296 0.448612} Si631 1887 0.0 -1 14 {} Si 0.0 {0.351668 0.0343707 0.533664} Si632 1888 0.0 -1 8 {} O 0.0 {0.342942 0.000450159 0.410601} O1257 1889 0.0 -1 8 {} O 0.0 {0.35159 0.0234796 0.582045} O1258 1890 0.0 -1 8 {} O 0.0 {0.340287 0.0240887 0.395607} O1259 1891 0.0 -1 8 {} O 0.0 {0.350764 0.0482355 0.566588} O1260 1892 0.0 -1 8 {} O 0.0 {0.35689 0.0344078 0.494542} O1261 1893 0.0 -1 8 {} O 0.0 {0.347255 0.0334395 0.482033} O1262 1894 0.0 -1 8 {} O 0.0 {0.347033 0.00558477 0.654805} O1263 1895 0.0 -1 8 {} O 0.0 {0.336387 0.00920785 0.669722} O1264 1896 0.0 -1 14 {} Si 0.0 {0.341908 0.00653911 0.704115} Si633 1897 0.0 -1 14 {} Si 0.0 {0.353364 0.00651154 0.952596} Si634 1898 0.0 -1 14 {} Si 0.0 {0.342928 0.0307727 0.787701} Si635 1899 0.0 -1 14 {} Si 0.0 {0.353262 0.0315294 0.865518} Si636 1900 0.0 -1 8 {} O 0.0 {0.341696 0.99222 0.728852} O1265 1901 0.0 -1 8 {} O 0.0 {0.353351 0.0191455 0.911245} O1266 1902 0.0 -1 8 {} O 0.0 {0.343787 0.0168255 0.756553} O1267 1903 0.0 -1 8 {} O 0.0 {0.354651 0.0450759 0.897123} O1268 1904 0.0 -1 8 {} O 0.0 {0.357614 0.0285604 0.813518} O1269 1905 0.0 -1 8 {} O 0.0 {0.347889 0.0334558 0.830255} O1270 1906 0.0 -1 8 {} O 0.0 {0.348424 0.00635401 0.994758} O1271 1907 0.0 -1 8 {} O 0.0 {0.337739 0.00748626 0.980087} O1272 1908 0.0 -1 14 {} Si 0.0 {0.342728 0.0546571 0.0188323} Si637 1909 0.0 -1 14 {} Si 0.0 {0.352333 0.0578106 0.28365} Si638 1910 0.0 -1 14 {} Si 0.0 {0.343177 0.0693868 0.145031} Si639 1911 0.0 -1 14 {} Si 0.0 {0.353583 0.080855 0.192429} Si640 1912 0.0 -1 8 {} O 0.0 {0.342514 0.0411771 0.0544233} O1273 1913 0.0 -1 8 {} O 0.0 {0.3527 0.0719147 0.253065} O1274 1914 0.0 -1 8 {} O 0.0 {0.34338 0.0667055 0.0692774} O1275 1915 0.0 -1 8 {} O 0.0 {0.353973 0.0967135 0.205437} O1276 1916 0.0 -1 8 {} O 0.0 {0.358507 0.0783375 0.147302} O1277 1917 0.0 -1 8 {} O 0.0 {0.347982 0.0787921 0.157038} O1278 1918 0.0 -1 8 {} O 0.0 {0.347639 0.0570052 0.331272} O1279 1919 0.0 -1 8 {} O 0.0 {0.337547 0.0555046 0.299321} O1280 1920 0.0 -1 14 {} Si 0.0 {0.341732 0.0576665 0.356805} Si641 1921 0.0 -1 14 {} Si 0.0 {0.351926 0.0602781 0.614701} Si642 1922 0.0 -1 14 {} Si 0.0 {0.34215 0.083704 0.436215} Si643 1923 0.0 -1 14 {} Si 0.0 {0.352155 0.0828815 0.515998} Si644 1924 0.0 -1 8 {} O 0.0 {0.340517 0.0482475 0.411633} O1281 1925 0.0 -1 8 {} O 0.0 {0.352116 0.072164 0.571019} O1282 1926 0.0 -1 8 {} O 0.0 {0.341103 0.0721469 0.391273} O1283 1927 0.0 -1 8 {} O 0.0 {0.350969 0.0968304 0.548296} O1284 1928 0.0 -1 8 {} O 0.0 {0.357789 0.0847328 0.483041} O1285 1929 0.0 -1 8 {} O 0.0 {0.34803 0.0813767 0.461286} O1286 1930 0.0 -1 8 {} O 0.0 {0.34714 0.0606519 0.661541} O1287 1931 0.0 -1 8 {} O 0.0 {0.337461 0.0571248 0.656812} O1288 1932 0.0 -1 14 {} Si 0.0 {0.342609 0.0555557 0.703832} Si645 1933 0.0 -1 14 {} Si 0.0 {0.353175 0.0573028 0.937798} Si646 1934 0.0 -1 14 {} Si 0.0 {0.341598 0.0812549 0.778148} Si647 1935 0.0 -1 14 {} Si 0.0 {0.352292 0.0823412 0.851031} Si648 1936 0.0 -1 8 {} O 0.0 {0.342602 0.041487 0.731772} O1289 1937 0.0 -1 8 {} O 0.0 {0.352638 0.0698534 0.895238} O1290 1938 0.0 -1 8 {} O 0.0 {0.341089 0.0664595 0.75596} O1291 1939 0.0 -1 8 {} O 0.0 {0.352479 0.0948341 0.895803} O1292 1940 0.0 -1 8 {} O 0.0 {0.357619 0.0835393 0.808068} O1293 1941 0.0 -1 8 {} O 0.0 {0.347244 0.0835284 0.807345} O1294 1942 0.0 -1 8 {} O 0.0 {0.347508 0.0541676 0.970088} O1295 1943 0.0 -1 8 {} O 0.0 {0.337336 0.0575093 0.982718} O1296 1944 0.0 -1 14 {} Si 0.0 {0.362158 0.96037 0.0438478} Si649 1945 0.0 -1 14 {} Si 0.0 {0.371507 0.96002 0.278757} Si650 1946 0.0 -1 14 {} Si 0.0 {0.36218 0.985691 0.119771} Si651 1947 0.0 -1 14 {} Si 0.0 {0.371876 0.985143 0.202332} Si652 1948 0.0 -1 8 {} O 0.0 {0.362285 0.950371 0.102663} O1297 1949 0.0 -1 8 {} O 0.0 {0.372482 0.974373 0.25695} O1298 1950 0.0 -1 8 {} O 0.0 {0.361107 0.975101 0.0691316} O1299 1951 0.0 -1 8 {} O 0.0 {0.370882 0.99893 0.22822} O1300 1952 0.0 -1 8 {} O 0.0 {0.377232 0.984957 0.163314} O1301 1953 0.0 -1 8 {} O 0.0 {0.367106 0.981324 0.158008} O1302 1954 0.0 -1 8 {} O 0.0 {0.367682 0.956 0.335505} O1303 1955 0.0 -1 8 {} O 0.0 {0.35785 0.955303 0.310649} O1304 1956 0.0 -1 14 {} Si 0.0 {0.362096 0.95551 0.366591} Si653 1957 0.0 -1 14 {} Si 0.0 {0.372057 0.955062 0.60628} Si654 1958 0.0 -1 14 {} Si 0.0 {0.36256 0.980442 0.445048} Si655 1959 0.0 -1 14 {} Si 0.0 {0.373557 0.978942 0.520501} Si656 1960 0.0 -1 8 {} O 0.0 {0.361743 0.941505 0.403166} O1305 1961 0.0 -1 8 {} O 0.0 {0.374102 0.966832 0.562814} O1306 1962 0.0 -1 8 {} O 0.0 {0.361304 0.967223 0.411856} O1307 1963 0.0 -1 8 {} O 0.0 {0.373956 0.991413 0.564319} O1308 1964 0.0 -1 8 {} O 0.0 {0.378079 0.980978 0.466616} O1309 1965 0.0 -1 8 {} O 0.0 {0.367752 0.979778 0.49072} O1310 1966 0.0 -1 8 {} O 0.0 {0.366325 0.957311 0.637019} O1311 1967 0.0 -1 8 {} O 0.0 {0.35651 0.954616 0.643152} O1312 1968 0.0 -1 14 {} Si 0.0 {0.361524 0.955585 0.683902} Si657 1969 0.0 -1 14 {} Si 0.0 {0.371459 0.957536 0.953172} Si658 1970 0.0 -1 14 {} Si 0.0 {0.362266 0.980625 0.763646} Si659 1971 0.0 -1 14 {} Si 0.0 {0.371535 0.979278 0.855538} Si660 1972 0.0 -1 8 {} O 0.0 {0.362294 0.942461 0.720581} O1313 1973 0.0 -1 8 {} O 0.0 {0.370425 0.966799 0.895366} O1314 1974 0.0 -1 8 {} O 0.0 {0.361132 0.966499 0.736435} O1315 1975 0.0 -1 8 {} O 0.0 {0.371289 0.991487 0.901736} O1316 1976 0.0 -1 8 {} O 0.0 {0.377105 0.97682 0.820641} O1317 1977 0.0 -1 8 {} O 0.0 {0.367646 0.980709 0.799279} O1318 1978 0.0 -1 8 {} O 0.0 {0.367627 0.959017 0.0115625} O1319 1979 0.0 -1 8 {} O 0.0 {0.357427 0.956715 0.996418} O1320 1980 0.0 -1 14 {} Si 0.0 {0.36345 0.00953006 0.0288827} Si661 1981 0.0 -1 14 {} Si 0.0 {0.372266 0.00937167 0.282092} Si662 1982 0.0 -1 14 {} Si 0.0 {0.362429 0.0347363 0.10202} Si663 1983 0.0 -1 14 {} Si 0.0 {0.372436 0.0335006 0.18972} Si664 1984 0.0 -1 8 {} O 0.0 {0.363831 0.999091 0.0845872} O1321 1985 0.0 -1 8 {} O 0.0 {0.371977 0.0234321 0.251127} O1322 1986 0.0 -1 8 {} O 0.0 {0.36179 0.0232639 0.0551582} O1323 1987 0.0 -1 8 {} O 0.0 {0.371649 0.0472771 0.222938} O1324 1988 0.0 -1 8 {} O 0.0 {0.377874 0.0331092 0.157999} O1325 1989 0.0 -1 8 {} O 0.0 {0.367623 0.0313932 0.140654} O1326 1990 0.0 -1 8 {} O 0.0 {0.367448 0.00994068 0.330634} O1327 1991 0.0 -1 8 {} O 0.0 {0.357435 0.0071923 0.324699} O1328 1992 0.0 -1 14 {} Si 0.0 {0.362307 0.00610603 0.371243} Si665 1993 0.0 -1 14 {} Si 0.0 {0.372888 0.00411744 0.605039} Si666 1994 0.0 -1 14 {} Si 0.0 {0.361838 0.0305896 0.452659} Si667 1995 0.0 -1 14 {} Si 0.0 {0.372721 0.0306416 0.52844} Si668 1996 0.0 -1 8 {} O 0.0 {0.362954 0.991893 0.397226} O1329 1997 0.0 -1 8 {} O 0.0 {0.373494 0.0163308 0.55765} O1330 1998 0.0 -1 8 {} O 0.0 {0.361913 0.0160729 0.426617} O1331 1999 0.0 -1 8 {} O 0.0 {0.372934 0.042675 0.575683} O1332 2000 0.0 -1 8 {} O 0.0 {0.376921 0.0336898 0.47302} O1333 2001 0.0 -1 8 {} O 0.0 {0.367288 0.0313485 0.496268} O1334 2002 0.0 -1 8 {} O 0.0 {0.366991 0.0034669 0.630191} O1335 2003 0.0 -1 8 {} O 0.0 {0.357182 0.00821662 0.643613} O1336 2004 0.0 -1 14 {} Si 0.0 {0.362495 0.00497405 0.681813} Si669 2005 0.0 -1 14 {} Si 0.0 {0.372861 0.00449157 0.939492} Si670 2006 0.0 -1 14 {} Si 0.0 {0.362929 0.0287874 0.770452} Si671 2007 0.0 -1 14 {} Si 0.0 {0.372297 0.0299487 0.859102} Si672 2008 0.0 -1 8 {} O 0.0 {0.361175 0.9915 0.713371} O1337 2009 0.0 -1 8 {} O 0.0 {0.372861 0.0160605 0.889868} O1338 2010 0.0 -1 8 {} O 0.0 {0.363447 0.0153079 0.736882} O1339 2011 0.0 -1 8 {} O 0.0 {0.373181 0.040871 0.909913} O1340 2012 0.0 -1 8 {} O 0.0 {0.377255 0.0296194 0.811712} O1341 2013 0.0 -1 8 {} O 0.0 {0.367032 0.0320097 0.821879} O1342 2014 0.0 -1 8 {} O 0.0 {0.368466 0.00867087 0.9883} O1343 2015 0.0 -1 8 {} O 0.0 {0.35875 0.00457942 0.98824} O1344 2016 0.0 -1 14 {} Si 0.0 {0.36282 0.0603027 0.0205206} Si673 2017 0.0 -1 14 {} Si 0.0 {0.372464 0.0572583 0.276947} Si674 2018 0.0 -1 14 {} Si 0.0 {0.363093 0.083925 0.106561} Si675 2019 0.0 -1 14 {} Si 0.0 {0.373241 0.0818919 0.190093} Si676 2020 0.0 -1 8 {} O 0.0 {0.363378 0.0483946 0.0641836} O1345 2021 0.0 -1 8 {} O 0.0 {0.372593 0.0713558 0.245266} O1346 2022 0.0 -1 8 {} O 0.0 {0.363495 0.0752183 0.046061} O1347 2023 0.0 -1 8 {} O 0.0 {0.373547 0.0957005 0.222879} O1348 2024 0.0 -1 8 {} O 0.0 {0.378327 0.0795148 0.147943} O1349 2025 0.0 -1 8 {} O 0.0 {0.368279 0.0829302 0.144729} O1350 2026 0.0 -1 8 {} O 0.0 {0.367716 0.0566124 0.325286} O1351 2027 0.0 -1 8 {} O 0.0 {0.357685 0.0556839 0.318648} O1352 2028 0.0 -1 14 {} Si 0.0 {0.362603 0.0546934 0.363418} Si677 2029 0.0 -1 14 {} Si 0.0 {0.372402 0.0555397 0.613499} Si678 2030 0.0 -1 14 {} Si 0.0 {0.362702 0.0784886 0.449844} Si679 2031 0.0 -1 14 {} Si 0.0 {0.373394 0.0794252 0.527188} Si680 2032 0.0 -1 8 {} O 0.0 {0.362335 0.040833 0.397009} O1353 2033 0.0 -1 8 {} O 0.0 {0.374271 0.0669642 0.567871} O1354 2034 0.0 -1 8 {} O 0.0 {0.362059 0.064801 0.419535} O1355 2035 0.0 -1 8 {} O 0.0 {0.373355 0.0911922 0.576721} O1356 2036 0.0 -1 8 {} O 0.0 {0.377325 0.0820607 0.47274} O1357 2037 0.0 -1 8 {} O 0.0 {0.367711 0.0794153 0.495216} O1358 2038 0.0 -1 8 {} O 0.0 {0.366806 0.0563114 0.647472} O1359 2039 0.0 -1 8 {} O 0.0 {0.357199 0.0581549 0.653188} O1360 2040 0.0 -1 14 {} Si 0.0 {0.362026 0.0542805 0.697886} Si681 2041 0.0 -1 14 {} Si 0.0 {0.372789 0.0552374 0.937549} Si682 2042 0.0 -1 14 {} Si 0.0 {0.363134 0.0783605 0.789196} Si683 2043 0.0 -1 14 {} Si 0.0 {0.373503 0.0806528 0.864884} Si684 2044 0.0 -1 8 {} O 0.0 {0.362035 0.0396238 0.719677} O1361 2045 0.0 -1 8 {} O 0.0 {0.374229 0.0653899 0.882255} O1362 2046 0.0 -1 8 {} O 0.0 {0.362722 0.0639484 0.755012} O1363 2047 0.0 -1 8 {} O 0.0 {0.37386 0.0868294 0.934881} O1364 2048 0.0 -1 8 {} O 0.0 {0.377878 0.0846561 0.81571} O1365 2049 0.0 -1 8 {} O 0.0 {0.36773 0.0821516 0.838484} O1366 2050 0.0 -1 8 {} O 0.0 {0.366796 0.0580307 0.964874} O1367 2051 0.0 -1 8 {} O 0.0 {0.35707 0.060091 0.991523} O1368 2052 0.0 -1 14 {} Si 0.0 {0.381861 0.960538 0.0248922} Si685 2053 0.0 -1 14 {} Si 0.0 {0.393199 0.956151 0.274192} Si686 2054 0.0 -1 14 {} Si 0.0 {0.382058 0.985025 0.120066} Si687 2055 0.0 -1 14 {} Si 0.0 {0.393001 0.980715 0.191467} Si688 2056 0.0 -1 8 {} O 0.0 {0.382224 0.947139 0.0632641} O1369 2057 0.0 -1 8 {} O 0.0 {0.393478 0.966483 0.218922} O1370 2058 0.0 -1 8 {} O 0.0 {0.380914 0.972204 0.075735} O1371 2059 0.0 -1 8 {} O 0.0 {0.392455 0.990803 0.248335} O1372 2060 0.0 -1 8 {} O 0.0 {0.398049 0.98398 0.148564} O1373 2061 0.0 -1 8 {} O 0.0 {0.387509 0.981795 0.153982} O1374 2062 0.0 -1 8 {} O 0.0 {0.387292 0.952582 0.294013} O1375 2063 0.0 -1 8 {} O 0.0 {0.377174 0.954697 0.294412} O1376 2064 0.0 -1 14 {} Si 0.0 {0.382339 0.955617 0.337492} Si689 2065 0.0 -1 14 {} Si 0.0 {0.392312 0.954627 0.626401} Si690 2066 0.0 -1 14 {} Si 0.0 {0.383328 0.979679 0.43} Si691 2067 0.0 -1 14 {} Si 0.0 {0.392399 0.978536 0.530739} Si692 2068 0.0 -1 8 {} O 0.0 {0.382022 0.941923 0.379107} O1377 2069 0.0 -1 8 {} O 0.0 {0.392542 0.964946 0.570731} O1378 2070 0.0 -1 8 {} O 0.0 {0.382992 0.967141 0.384509} O1379 2071 0.0 -1 8 {} O 0.0 {0.391848 0.989859 0.576466} O1380 2072 0.0 -1 8 {} O 0.0 {0.397859 0.977991 0.492327} O1381 2073 0.0 -1 8 {} O 0.0 {0.387911 0.977406 0.47924} O1382 2074 0.0 -1 8 {} O 0.0 {0.386561 0.954293 0.648611} O1383 2075 0.0 -1 8 {} O 0.0 {0.375994 0.953803 0.665463} O1384 2076 0.0 -1 14 {} Si 0.0 {0.381589 0.956815 0.693195} Si693 2077 0.0 -1 14 {} Si 0.0 {0.392521 0.957242 0.954522} Si694 2078 0.0 -1 14 {} Si 0.0 {0.382147 0.981043 0.78028} Si695 2079 0.0 -1 14 {} Si 0.0 {0.392596 0.97937 0.858232} Si696 2080 0.0 -1 8 {} O 0.0 {0.382157 0.947029 0.755164} O1385 2081 0.0 -1 8 {} O 0.0 {0.392884 0.965502 0.891227} O1386 2082 0.0 -1 8 {} O 0.0 {0.381837 0.970528 0.724872} O1387 2083 0.0 -1 8 {} O 0.0 {0.392781 0.991092 0.907335} O1388 2084 0.0 -1 8 {} O 0.0 {0.397387 0.980003 0.814023} O1389 2085 0.0 -1 8 {} O 0.0 {0.387333 0.980192 0.81817} O1390 2086 0.0 -1 8 {} O 0.0 {0.38732 0.961829 0.990418} O1391 2087 0.0 -1 8 {} O 0.0 {0.377561 0.958274 0.971472} O1392 2088 0.0 -1 14 {} Si 0.0 {0.382611 0.0075413 0.0202771} Si697 2089 0.0 -1 14 {} Si 0.0 {0.39252 0.00501846 0.274654} Si698 2090 0.0 -1 14 {} Si 0.0 {0.381939 0.0318075 0.102877} Si699 2091 0.0 -1 14 {} Si 0.0 {0.392377 0.0291467 0.184565} Si700 2092 0.0 -1 8 {} O 0.0 {0.382629 0.99716 0.0767363} O1393 2093 0.0 -1 8 {} O 0.0 {0.392871 0.0155505 0.217751} O1394 2094 0.0 -1 8 {} O 0.0 {0.380923 0.0209745 0.0540059} O1395 2095 0.0 -1 8 {} O 0.0 {0.392159 0.0402005 0.235502} O1396 2096 0.0 -1 8 {} O 0.0 {0.397258 0.0331662 0.142919} O1397 2097 0.0 -1 8 {} O 0.0 {0.38755 0.0287409 0.138028} O1398 2098 0.0 -1 8 {} O 0.0 {0.388046 0.00958086 0.323533} O1399 2099 0.0 -1 8 {} O 0.0 {0.377725 0.00449293 0.31239} O1400 2100 0.0 -1 14 {} Si 0.0 {0.382803 0.0057133 0.359418} Si701 2101 0.0 -1 14 {} Si 0.0 {0.392279 0.00385859 0.614342} Si702 2102 0.0 -1 14 {} Si 0.0 {0.3822 0.031148 0.441339} Si703 2103 0.0 -1 14 {} Si 0.0 {0.392024 0.0283502 0.530818} Si704 2104 0.0 -1 8 {} O 0.0 {0.384462 0.992221 0.38786} O1401 2105 0.0 -1 8 {} O 0.0 {0.391234 0.0157785 0.568938} O1402 2106 0.0 -1 8 {} O 0.0 {0.382069 0.0166908 0.414524} O1403 2107 0.0 -1 8 {} O 0.0 {0.393075 0.0415235 0.573379} O1404 2108 0.0 -1 8 {} O 0.0 {0.397222 0.0274446 0.487203} O1405 2109 0.0 -1 8 {} O 0.0 {0.386972 0.0325369 0.492166} O1406 2110 0.0 -1 8 {} O 0.0 {0.38692 0.00257394 0.655216} O1407 2111 0.0 -1 8 {} O 0.0 {0.376793 0.00852172 0.658021} O1408 2112 0.0 -1 14 {} Si 0.0 {0.381913 0.00614051 0.698989} Si705 2113 0.0 -1 14 {} Si 0.0 {0.393246 0.0045348 0.942552} Si706 2114 0.0 -1 14 {} Si 0.0 {0.382939 0.0309551 0.778122} Si707 2115 0.0 -1 14 {} Si 0.0 {0.393483 0.0288776 0.859069} Si708 2116 0.0 -1 8 {} O 0.0 {0.380724 0.99438 0.748824} O1409 2117 0.0 -1 8 {} O 0.0 {0.39441 0.0157478 0.895719} O1410 2118 0.0 -1 8 {} O 0.0 {0.383543 0.0195632 0.727363} O1411 2119 0.0 -1 8 {} O 0.0 {0.392907 0.0406719 0.906378} O1412 2120 0.0 -1 8 {} O 0.0 {0.397443 0.0340542 0.805767} O1413 2121 0.0 -1 8 {} O 0.0 {0.387858 0.0279818 0.823314} O1414 2122 0.0 -1 8 {} O 0.0 {0.387989 0.00770017 0.983458} O1415 2123 0.0 -1 8 {} O 0.0 {0.378323 0.00324323 0.971503} O1416 2124 0.0 -1 14 {} Si 0.0 {0.382426 0.0575242 0.020777} Si709 2125 0.0 -1 14 {} Si 0.0 {0.392724 0.0544706 0.261505} Si710 2126 0.0 -1 14 {} Si 0.0 {0.383533 0.0818432 0.10825} Si711 2127 0.0 -1 14 {} Si 0.0 {0.393272 0.0813332 0.19666} Si712 2128 0.0 -1 8 {} O 0.0 {0.382976 0.0459521 0.0694076} O1417 2129 0.0 -1 8 {} O 0.0 {0.392924 0.0660013 0.210883} O1418 2130 0.0 -1 8 {} O 0.0 {0.383737 0.0715132 0.0515284} O1419 2131 0.0 -1 8 {} O 0.0 {0.392678 0.0898727 0.261475} O1420 2132 0.0 -1 8 {} O 0.0 {0.398382 0.0824377 0.156885} O1421 2133 0.0 -1 8 {} O 0.0 {0.388343 0.0847303 0.150718} O1422 2134 0.0 -1 8 {} O 0.0 {0.387764 0.0570021 0.305705} O1423 2135 0.0 -1 8 {} O 0.0 {0.377822 0.0556645 0.312894} O1424 2136 0.0 -1 14 {} Si 0.0 {0.383012 0.0550311 0.356997} Si713 2137 0.0 -1 14 {} Si 0.0 {0.391987 0.0545987 0.610105} Si714 2138 0.0 -1 14 {} Si 0.0 {0.382813 0.08049 0.438799} Si715 2139 0.0 -1 14 {} Si 0.0 {0.392338 0.0797393 0.528235} Si716 2140 0.0 -1 8 {} O 0.0 {0.383286 0.0408877 0.383452} O1425 2141 0.0 -1 8 {} O 0.0 {0.391618 0.0660165 0.55863} O1426 2142 0.0 -1 8 {} O 0.0 {0.383774 0.0667045 0.406335} O1427 2143 0.0 -1 8 {} O 0.0 {0.392272 0.0900691 0.585293} O1428 2144 0.0 -1 8 {} O 0.0 {0.397984 0.0820784 0.499186} O1429 2145 0.0 -1 8 {} O 0.0 {0.387732 0.0837771 0.482285} O1430 2146 0.0 -1 8 {} O 0.0 {0.38663 0.0545413 0.651089} O1431 2147 0.0 -1 8 {} O 0.0 {0.376948 0.0539001 0.666179} O1432 2148 0.0 -1 14 {} Si 0.0 {0.382358 0.0558043 0.70066} Si717 2149 0.0 -1 14 {} Si 0.0 {0.392456 0.0545147 0.944852} Si718 2150 0.0 -1 14 {} Si 0.0 {0.382787 0.0818436 0.774233} Si719 2151 0.0 -1 14 {} Si 0.0 {0.393229 0.0782484 0.855272} Si720 2152 0.0 -1 8 {} O 0.0 {0.383147 0.0452996 0.753139} O1433 2153 0.0 -1 8 {} O 0.0 {0.394048 0.065339 0.892704} O1434 2154 0.0 -1 8 {} O 0.0 {0.382412 0.0704657 0.72582} O1435 2155 0.0 -1 8 {} O 0.0 {0.393356 0.0887414 0.91152} O1436 2156 0.0 -1 8 {} O 0.0 {0.398367 0.0824638 0.814246} O1437 2157 0.0 -1 8 {} O 0.0 {0.387631 0.0809955 0.82506} O1438 2158 0.0 -1 8 {} O 0.0 {0.386525 0.0552498 0.967418} O1439 2159 0.0 -1 8 {} O 0.0 {0.376789 0.0576717 0.994541} O1440 2160 0.0 -1 14 {} Si 0.0 {0.403059 0.960022 0.0232914} Si721 2161 0.0 -1 14 {} Si 0.0 {0.412783 0.959371 0.276302} Si722 2162 0.0 -1 14 {} Si 0.0 {0.403468 0.984568 0.113408} Si723 2163 0.0 -1 14 {} Si 0.0 {0.413874 0.982746 0.185482} Si724 2164 0.0 -1 8 {} O 0.0 {0.404442 0.949709 0.0799702} O1441 2165 0.0 -1 8 {} O 0.0 {0.414884 0.970601 0.231103} O1442 2166 0.0 -1 8 {} O 0.0 {0.403388 0.973871 0.0577474} O1443 2167 0.0 -1 8 {} O 0.0 {0.413625 0.995987 0.22533} O1444 2168 0.0 -1 8 {} O 0.0 {0.41764 0.984425 0.128761} O1445 2169 0.0 -1 8 {} O 0.0 {0.407996 0.981338 0.160933} O1446 2170 0.0 -1 8 {} O 0.0 {0.406885 0.959271 0.30129} O1447 2171 0.0 -1 8 {} O 0.0 {0.397167 0.956514 0.332563} O1448 2172 0.0 -1 14 {} Si 0.0 {0.403002 0.95585 0.358451} Si725 2173 0.0 -1 14 {} Si 0.0 {0.412285 0.955469 0.613444} Si726 2174 0.0 -1 14 {} Si 0.0 {0.402766 0.979267 0.448829} Si727 2175 0.0 -1 14 {} Si 0.0 {0.41269 0.980027 0.533305} Si728 2176 0.0 -1 8 {} O 0.0 {0.403661 0.941388 0.390808} O1449 2177 0.0 -1 8 {} O 0.0 {0.412276 0.965787 0.559184} O1450 2178 0.0 -1 8 {} O 0.0 {0.403299 0.965771 0.415696} O1451 2179 0.0 -1 8 {} O 0.0 {0.412744 0.990337 0.586731} O1452 2180 0.0 -1 8 {} O 0.0 {0.417844 0.982005 0.486497} O1453 2181 0.0 -1 8 {} O 0.0 {0.408101 0.982508 0.485857} O1454 2182 0.0 -1 8 {} O 0.0 {0.406816 0.953897 0.651505} O1455 2183 0.0 -1 8 {} O 0.0 {0.396695 0.955757 0.676529} O1456 2184 0.0 -1 14 {} Si 0.0 {0.402509 0.958851 0.69978} Si729 2185 0.0 -1 14 {} Si 0.0 {0.413401 0.958788 0.945549} Si730 2186 0.0 -1 14 {} Si 0.0 {0.402592 0.98373 0.777089} Si731 2187 0.0 -1 14 {} Si 0.0 {0.412843 0.982412 0.858719} Si732 2188 0.0 -1 8 {} O 0.0 {0.403253 0.950396 0.764174} O1457 2189 0.0 -1 8 {} O 0.0 {0.413915 0.968902 0.892419} O1458 2190 0.0 -1 8 {} O 0.0 {0.403272 0.973221 0.722512} O1459 2191 0.0 -1 8 {} O 0.0 {0.413758 0.993631 0.907821} O1460 2192 0.0 -1 8 {} O 0.0 {0.417313 0.984127 0.805321} O1461 2193 0.0 -1 8 {} O 0.0 {0.407272 0.983408 0.827443} O1462 2194 0.0 -1 8 {} O 0.0 {0.407651 0.957266 0.971584} O1463 2195 0.0 -1 8 {} O 0.0 {0.397445 0.957951 0.998065} O1464 2196 0.0 -1 14 {} Si 0.0 {0.402835 0.00878219 0.0306065} Si733 2197 0.0 -1 14 {} Si 0.0 {0.413115 0.0071375 0.279557} Si734 2198 0.0 -1 14 {} Si 0.0 {0.402867 0.0349105 0.108751} Si735 2199 0.0 -1 14 {} Si 0.0 {0.412653 0.0319484 0.198529} Si736 2200 0.0 -1 8 {} O 0.0 {0.403775 0.998806 0.0848412} O1465 2201 0.0 -1 8 {} O 0.0 {0.413374 0.0209362 0.251157} O1466 2202 0.0 -1 8 {} O 0.0 {0.403157 0.0231313 0.0623348} O1467 2203 0.0 -1 8 {} O 0.0 {0.41266 0.0453663 0.238975} O1468 2204 0.0 -1 8 {} O 0.0 {0.417871 0.030532 0.15522} O1469 2205 0.0 -1 8 {} O 0.0 {0.407668 0.032393 0.155875} O1470 2206 0.0 -1 8 {} O 0.0 {0.407736 0.00369627 0.314293} O1471 2207 0.0 -1 8 {} O 0.0 {0.397461 0.00617363 0.317492} O1472 2208 0.0 -1 14 {} Si 0.0 {0.402887 0.00401791 0.360522} Si737 2209 0.0 -1 14 {} Si 0.0 {0.412699 0.00515194 0.609387} Si738 2210 0.0 -1 14 {} Si 0.0 {0.402495 0.0281179 0.446606} Si739 2211 0.0 -1 14 {} Si 0.0 {0.412519 0.0293084 0.5268} Si740 2212 0.0 -1 8 {} O 0.0 {0.401883 0.99129 0.400359} O1473 2213 0.0 -1 8 {} O 0.0 {0.412287 0.0144458 0.55179} O1474 2214 0.0 -1 8 {} O 0.0 {0.403606 0.0151213 0.410717} O1475 2215 0.0 -1 8 {} O 0.0 {0.413981 0.0394689 0.583659} O1476 2216 0.0 -1 8 {} O 0.0 {0.416988 0.029779 0.473813} O1477 2217 0.0 -1 8 {} O 0.0 {0.407242 0.032299 0.489023} O1478 2218 0.0 -1 8 {} O 0.0 {0.407797 0.00649416 0.655902} O1479 2219 0.0 -1 8 {} O 0.0 {0.397718 0.00502363 0.649781} O1480 2220 0.0 -1 14 {} Si 0.0 {0.402593 0.00788594 0.693695} Si741 2221 0.0 -1 14 {} Si 0.0 {0.412702 0.00723062 0.941332} Si742 2222 0.0 -1 14 {} Si 0.0 {0.402675 0.0335521 0.767791} Si743 2223 0.0 -1 14 {} Si 0.0 {0.412832 0.0308618 0.855373} Si744 2224 0.0 -1 8 {} O 0.0 {0.402247 0.997994 0.748924} O1481 2225 0.0 -1 8 {} O 0.0 {0.412253 0.0170973 0.884533} O1482 2226 0.0 -1 8 {} O 0.0 {0.402841 0.0227304 0.716757} O1483 2227 0.0 -1 8 {} O 0.0 {0.413419 0.040487 0.91394} O1484 2228 0.0 -1 8 {} O 0.0 {0.417726 0.0323312 0.810838} O1485 2229 0.0 -1 8 {} O 0.0 {0.407904 0.033001 0.811164} O1486 2230 0.0 -1 8 {} O 0.0 {0.407448 0.00739946 0.981975} O1487 2231 0.0 -1 8 {} O 0.0 {0.397602 0.00450084 0.995275} O1488 2232 0.0 -1 14 {} Si 0.0 {0.402996 0.0590828 0.0225098} Si745 2233 0.0 -1 14 {} Si 0.0 {0.4122 0.057655 0.282477} Si746 2234 0.0 -1 14 {} Si 0.0 {0.403225 0.0842417 0.100827} Si747 2235 0.0 -1 14 {} Si 0.0 {0.41241 0.0807155 0.191843} Si748 2236 0.0 -1 8 {} O 0.0 {0.403426 0.0488864 0.0764015} O1489 2237 0.0 -1 8 {} O 0.0 {0.410452 0.0680396 0.232895} O1490 2238 0.0 -1 8 {} O 0.0 {0.402682 0.0733323 0.048695} O1491 2239 0.0 -1 8 {} O 0.0 {0.412892 0.0920874 0.242124} O1492 2240 0.0 -1 8 {} O 0.0 {0.417929 0.0787611 0.159415} O1493 2241 0.0 -1 8 {} O 0.0 {0.408778 0.0849593 0.133733} O1494 2242 0.0 -1 8 {} O 0.0 {0.40774 0.0567761 0.333014} O1495 2243 0.0 -1 8 {} O 0.0 {0.39805 0.0544611 0.305827} O1496 2244 0.0 -1 14 {} Si 0.0 {0.402102 0.0540853 0.362167} Si749 2245 0.0 -1 14 {} Si 0.0 {0.413389 0.0540887 0.60543} Si750 2246 0.0 -1 14 {} Si 0.0 {0.402025 0.0791506 0.443436} Si751 2247 0.0 -1 14 {} Si 0.0 {0.412128 0.0786321 0.52522} Si752 2248 0.0 -1 8 {} O 0.0 {0.40148 0.0397705 0.392255} O1497 2249 0.0 -1 8 {} O 0.0 {0.412489 0.0639626 0.546425} O1498 2250 0.0 -1 8 {} O 0.0 {0.400988 0.0651556 0.413255} O1499 2251 0.0 -1 8 {} O 0.0 {0.410545 0.0866458 0.585305} O1500 2252 0.0 -1 8 {} O 0.0 {0.417423 0.0834 0.495463} O1501 2253 0.0 -1 8 {} O 0.0 {0.407776 0.0804884 0.471888} O1502 2254 0.0 -1 8 {} O 0.0 {0.408087 0.0566186 0.646035} O1503 2255 0.0 -1 8 {} O 0.0 {0.397049 0.0578608 0.651695} O1504 2256 0.0 -1 14 {} Si 0.0 {0.402697 0.0584825 0.682934} Si753 2257 0.0 -1 14 {} Si 0.0 {0.413612 0.0546444 0.940659} Si754 2258 0.0 -1 14 {} Si 0.0 {0.403424 0.0829193 0.767234} Si755 2259 0.0 -1 14 {} Si 0.0 {0.413525 0.0785292 0.854085} Si756 2260 0.0 -1 8 {} O 0.0 {0.403482 0.0479065 0.739069} O1505 2261 0.0 -1 8 {} O 0.0 {0.413467 0.0641455 0.881974} O1506 2262 0.0 -1 8 {} O 0.0 {0.402909 0.0729013 0.707547} O1507 2263 0.0 -1 8 {} O 0.0 {0.412321 0.0886658 0.911375} O1508 2264 0.0 -1 8 {} O 0.0 {0.419007 0.0836967 0.83239} O1509 2265 0.0 -1 8 {} O 0.0 {0.40869 0.0797739 0.802899} O1510 2266 0.0 -1 8 {} O 0.0 {0.408285 0.0576283 0.981184} O1511 2267 0.0 -1 8 {} O 0.0 {0.397481 0.0551419 0.985814} O1512 2268 0.0 -1 14 {} Si 0.0 {0.423413 0.958422 0.031158} Si757 2269 0.0 -1 14 {} Si 0.0 {0.432639 0.959137 0.277595} Si758 2270 0.0 -1 14 {} Si 0.0 {0.423369 0.984114 0.100695} Si759 2271 0.0 -1 14 {} Si 0.0 {0.433256 0.981593 0.184024} Si760 2272 0.0 -1 8 {} O 0.0 {0.424216 0.945258 0.0665928} O1513 2273 0.0 -1 8 {} O 0.0 {0.43279 0.967451 0.215402} O1514 2274 0.0 -1 8 {} O 0.0 {0.424516 0.969463 0.0784376} O1515 2275 0.0 -1 8 {} O 0.0 {0.434208 0.992139 0.236809} O1516 2276 0.0 -1 8 {} O 0.0 {0.438004 0.981896 0.134632} O1517 2277 0.0 -1 8 {} O 0.0 {0.42807 0.986158 0.152003} O1518 2278 0.0 -1 8 {} O 0.0 {0.427065 0.958131 0.308272} O1519 2279 0.0 -1 8 {} O 0.0 {0.416703 0.958083 0.332777} O1520 2280 0.0 -1 14 {} Si 0.0 {0.422746 0.96068 0.358158} Si761 2281 0.0 -1 14 {} Si 0.0 {0.433099 0.960884 0.614102} Si762 2282 0.0 -1 14 {} Si 0.0 {0.423059 0.983993 0.449827} Si763 2283 0.0 -1 14 {} Si 0.0 {0.433265 0.984386 0.526056} Si764 2284 0.0 -1 8 {} O 0.0 {0.423005 0.950177 0.415144} O1521 2285 0.0 -1 8 {} O 0.0 {0.43407 0.974417 0.581258} O1522 2286 0.0 -1 8 {} O 0.0 {0.423078 0.974667 0.38994} O1523 2287 0.0 -1 8 {} O 0.0 {0.433426 0.99807 0.558889} O1524 2288 0.0 -1 8 {} O 0.0 {0.437555 0.981542 0.474364} O1525 2289 0.0 -1 8 {} O 0.0 {0.42786 0.980872 0.493999} O1526 2290 0.0 -1 8 {} O 0.0 {0.427413 0.95875 0.638048} O1527 2291 0.0 -1 8 {} O 0.0 {0.417173 0.958125 0.65676} O1528 2292 0.0 -1 14 {} Si 0.0 {0.422835 0.961372 0.687793} Si765 2293 0.0 -1 14 {} Si 0.0 {0.432486 0.958099 0.932513} Si766 2294 0.0 -1 14 {} Si 0.0 {0.42259 0.9856 0.769608} Si767 2295 0.0 -1 14 {} Si 0.0 {0.432649 0.98231 0.849701} Si768 2296 0.0 -1 8 {} O 0.0 {0.423559 0.94986 0.74337} O1529 2297 0.0 -1 8 {} O 0.0 {0.432803 0.967781 0.874463} O1530 2298 0.0 -1 8 {} O 0.0 {0.422902 0.97554 0.713951} O1531 2299 0.0 -1 8 {} O 0.0 {0.431986 0.991083 0.910571} O1532 2300 0.0 -1 8 {} O 0.0 {0.438302 0.984483 0.817649} O1533 2301 0.0 -1 8 {} O 0.0 {0.427872 0.98414 0.804373} O1534 2302 0.0 -1 8 {} O 0.0 {0.427346 0.960235 0.973853} O1535 2303 0.0 -1 8 {} O 0.0 {0.417501 0.958811 0.00241541} O1536 2304 0.0 -1 14 {} Si 0.0 {0.422679 0.00901751 0.018168} Si769 2305 0.0 -1 14 {} Si 0.0 {0.433116 0.00617523 0.27064} Si770 2306 0.0 -1 14 {} Si 0.0 {0.423076 0.0324377 0.115033} Si771 2307 0.0 -1 14 {} Si 0.0 {0.433059 0.0314107 0.195871} Si772 2308 0.0 -1 8 {} O 0.0 {0.423112 0.994358 0.0444393} O1537 2309 0.0 -1 8 {} O 0.0 {0.432209 0.0162767 0.218187} O1538 2310 0.0 -1 8 {} O 0.0 {0.423385 0.0205716 0.0674148} O1539 2311 0.0 -1 8 {} O 0.0 {0.433774 0.0414163 0.251657} O1540 2312 0.0 -1 8 {} O 0.0 {0.437996 0.0305533 0.15136} O1541 2313 0.0 -1 8 {} O 0.0 {0.428039 0.0349592 0.156046} O1542 2314 0.0 -1 8 {} O 0.0 {0.428278 0.00624254 0.316684} O1543 2315 0.0 -1 8 {} O 0.0 {0.417806 0.0064425 0.328266} O1544 2316 0.0 -1 14 {} Si 0.0 {0.423302 0.00792404 0.364552} Si773 2317 0.0 -1 14 {} Si 0.0 {0.433486 0.010222 0.607642} Si774 2318 0.0 -1 14 {} Si 0.0 {0.422471 0.0340707 0.435159} Si775 2319 0.0 -1 14 {} Si 0.0 {0.432656 0.0348767 0.518635} Si776 2320 0.0 -1 8 {} O 0.0 {0.423375 0.998141 0.422964} O1545 2321 0.0 -1 8 {} O 0.0 {0.433711 0.0233195 0.566215} O1546 2322 0.0 -1 8 {} O 0.0 {0.423433 0.0226557 0.385434} O1547 2323 0.0 -1 8 {} O 0.0 {0.432942 0.0480591 0.558472} O1548 2324 0.0 -1 8 {} O 0.0 {0.437307 0.0359713 0.468586} O1549 2325 0.0 -1 8 {} O 0.0 {0.426954 0.0339666 0.485071} O1550 2326 0.0 -1 8 {} O 0.0 {0.428147 0.00860673 0.646378} O1551 2327 0.0 -1 8 {} O 0.0 {0.41776 0.00916403 0.647618} O1552 2328 0.0 -1 14 {} Si 0.0 {0.423009 0.0103075 0.686673} Si777 2329 0.0 -1 14 {} Si 0.0 {0.432938 0.00496227 0.94197} Si778 2330 0.0 -1 14 {} Si 0.0 {0.423119 0.0346541 0.773755} Si779 2331 0.0 -1 14 {} Si 0.0 {0.433175 0.0291291 0.858747} Si780 2332 0.0 -1 8 {} O 0.0 {0.422584 0.999929 0.742624} O1553 2333 0.0 -1 8 {} O 0.0 {0.43433 0.0153736 0.889602} O1554 2334 0.0 -1 8 {} O 0.0 {0.42278 0.025081 0.713885} O1555 2335 0.0 -1 8 {} O 0.0 {0.433465 0.0398224 0.913494} O1556 2336 0.0 -1 8 {} O 0.0 {0.438115 0.0328251 0.815545} O1557 2337 0.0 -1 8 {} O 0.0 {0.428145 0.0301861 0.813249} O1558 2338 0.0 -1 8 {} O 0.0 {0.42726 0.00884715 0.966187} O1559 2339 0.0 -1 8 {} O 0.0 {0.417216 0.0105745 0.986638} O1560 2340 0.0 -1 14 {} Si 0.0 {0.423109 0.0579564 0.0317053} Si781 2341 0.0 -1 14 {} Si 0.0 {0.432586 0.0558914 0.277625} Si782 2342 0.0 -1 14 {} Si 0.0 {0.422823 0.0824607 0.114303} Si783 2343 0.0 -1 14 {} Si 0.0 {0.432815 0.0816021 0.197406} Si784 2344 0.0 -1 8 {} O 0.0 {0.422379 0.0446185 0.0744832} O1561 2345 0.0 -1 8 {} O 0.0 {0.431994 0.0667657 0.226324} O1562 2346 0.0 -1 8 {} O 0.0 {0.424092 0.0707799 0.0688046} O1563 2347 0.0 -1 8 {} O 0.0 {0.432554 0.0908115 0.259191} O1564 2348 0.0 -1 8 {} O 0.0 {0.43838 0.0827838 0.169551} O1565 2349 0.0 -1 8 {} O 0.0 {0.427901 0.0860474 0.153748} O1566 2350 0.0 -1 8 {} O 0.0 {0.427689 0.0563293 0.325257} O1567 2351 0.0 -1 8 {} O 0.0 {0.417724 0.0608779 0.314978} O1568 2352 0.0 -1 14 {} Si 0.0 {0.422467 0.0597459 0.362614} Si785 2353 0.0 -1 14 {} Si 0.0 {0.433417 0.0596955 0.607323} Si786 2354 0.0 -1 14 {} Si 0.0 {0.422741 0.082639 0.454141} Si787 2355 0.0 -1 14 {} Si 0.0 {0.433025 0.084201 0.526832} Si788 2356 0.0 -1 8 {} O 0.0 {0.421298 0.0482262 0.406223} O1569 2357 0.0 -1 8 {} O 0.0 {0.434451 0.0736238 0.577405} O1570 2358 0.0 -1 8 {} O 0.0 {0.423615 0.0726938 0.397784} O1571 2359 0.0 -1 8 {} O 0.0 {0.434314 0.0979025 0.562339} O1572 2360 0.0 -1 8 {} O 0.0 {0.436911 0.0852602 0.469936} O1573 2361 0.0 -1 8 {} O 0.0 {0.427292 0.0835759 0.503214} O1574 2362 0.0 -1 8 {} O 0.0 {0.428518 0.0588976 0.651509} O1575 2363 0.0 -1 8 {} O 0.0 {0.418412 0.0574342 0.646224} O1576 2364 0.0 -1 14 {} Si 0.0 {0.423134 0.0592892 0.693095} Si789 2365 0.0 -1 14 {} Si 0.0 {0.433137 0.0538385 0.945249} Si790 2366 0.0 -1 14 {} Si 0.0 {0.423901 0.0825243 0.783189} Si791 2367 0.0 -1 14 {} Si 0.0 {0.433393 0.0793969 0.870521} Si792 2368 0.0 -1 8 {} O 0.0 {0.42374 0.0490441 0.746718} O1577 2369 0.0 -1 8 {} O 0.0 {0.433179 0.0646891 0.894796} O1578 2370 0.0 -1 8 {} O 0.0 {0.423045 0.0726737 0.72769} O1579 2371 0.0 -1 8 {} O 0.0 {0.43231 0.0897806 0.925255} O1580 2372 0.0 -1 8 {} O 0.0 {0.438972 0.0834142 0.842836} O1581 2373 0.0 -1 8 {} O 0.0 {0.429212 0.0835649 0.819831} O1582 2374 0.0 -1 8 {} O 0.0 {0.42802 0.0546737 0.987757} O1583 2375 0.0 -1 8 {} O 0.0 {0.418255 0.0583954 0.987126} O1584 2376 0.0 -1 14 {} Si 0.0 {0.442917 0.960703 0.0133551} Si793 2377 0.0 -1 14 {} Si 0.0 {0.453298 0.960706 0.280419} Si794 2378 0.0 -1 14 {} Si 0.0 {0.443644 0.98381 0.104775} Si795 2379 0.0 -1 14 {} Si 0.0 {0.45306 0.985287 0.199075} Si796 2380 0.0 -1 8 {} O 0.0 {0.442606 0.948425 0.0626451} O1585 2381 0.0 -1 8 {} O 0.0 {0.453975 0.974704 0.251269} O1586 2382 0.0 -1 8 {} O 0.0 {0.444188 0.973501 0.0494471} O1587 2383 0.0 -1 8 {} O 0.0 {0.452578 0.999408 0.2275} O1588 2384 0.0 -1 8 {} O 0.0 {0.457622 0.984569 0.144894} O1589 2385 0.0 -1 8 {} O 0.0 {0.447777 0.981804 0.162439} O1590 2386 0.0 -1 8 {} O 0.0 {0.44765 0.957778 0.311698} O1591 2387 0.0 -1 8 {} O 0.0 {0.437574 0.962121 0.320118} O1592 2388 0.0 -1 14 {} Si 0.0 {0.44275 0.958456 0.357899} Si797 2389 0.0 -1 14 {} Si 0.0 {0.453235 0.961557 0.615629} Si798 2390 0.0 -1 14 {} Si 0.0 {0.44316 0.982435 0.440613} Si799 2391 0.0 -1 14 {} Si 0.0 {0.453074 0.984325 0.524193} Si800 2392 0.0 -1 8 {} O 0.0 {0.442026 0.943998 0.384931} O1593 2393 0.0 -1 8 {} O 0.0 {0.452757 0.970359 0.55588} O1594 2394 0.0 -1 8 {} O 0.0 {0.444229 0.968259 0.409113} O1595 2395 0.0 -1 8 {} O 0.0 {0.453852 0.994419 0.580804} O1596 2396 0.0 -1 8 {} O 0.0 {0.457923 0.98611 0.475392} O1597 2397 0.0 -1 8 {} O 0.0 {0.447824 0.98626 0.483965} O1598 2398 0.0 -1 8 {} O 0.0 {0.447595 0.96056 0.64753} O1599 2399 0.0 -1 8 {} O 0.0 {0.437261 0.957637 0.666512} O1600 2400 0.0 -1 14 {} Si 0.0 {0.442852 0.962424 0.696325} Si801 2401 0.0 -1 14 {} Si 0.0 {0.453266 0.959022 0.940591} Si802 2402 0.0 -1 14 {} Si 0.0 {0.443446 0.987381 0.775736} Si803 2403 0.0 -1 14 {} Si 0.0 {0.453525 0.98382 0.860224} Si804 2404 0.0 -1 8 {} O 0.0 {0.444691 0.953776 0.755944} O1601 2405 0.0 -1 8 {} O 0.0 {0.453864 0.969618 0.88658} O1602 2406 0.0 -1 8 {} O 0.0 {0.443513 0.977355 0.719253} O1603 2407 0.0 -1 8 {} O 0.0 {0.453537 0.994325 0.914818} O1604 2408 0.0 -1 8 {} O 0.0 {0.457817 0.986281 0.808321} O1605 2409 0.0 -1 8 {} O 0.0 {0.448183 0.984544 0.821027} O1606 2410 0.0 -1 8 {} O 0.0 {0.447402 0.95716 0.968538} O1607 2411 0.0 -1 8 {} O 0.0 {0.437425 0.961558 0.975663} O1608 2412 0.0 -1 14 {} Si 0.0 {0.443254 0.0096591 0.0236598} Si805 2413 0.0 -1 14 {} Si 0.0 {0.453592 0.0099901 0.280233} Si806 2414 0.0 -1 14 {} Si 0.0 {0.443104 0.0334071 0.10952} Si807 2415 0.0 -1 14 {} Si 0.0 {0.452806 0.0345471 0.198585} Si808 2416 0.0 -1 8 {} O 0.0 {0.443925 0.998393 0.0772414} O1609 2417 0.0 -1 8 {} O 0.0 {0.453615 0.0239697 0.24861} O1610 2418 0.0 -1 8 {} O 0.0 {0.443577 0.0239797 0.0503387} O1611 2419 0.0 -1 8 {} O 0.0 {0.451823 0.0489108 0.222314} O1612 2420 0.0 -1 8 {} O 0.0 {0.45769 0.0359458 0.151121} O1613 2421 0.0 -1 8 {} O 0.0 {0.447711 0.0303825 0.156972} O1614 2422 0.0 -1 8 {} O 0.0 {0.448725 0.00875617 0.329752} O1615 2423 0.0 -1 8 {} O 0.0 {0.438556 0.0093787 0.307322} O1616 2424 0.0 -1 14 {} Si 0.0 {0.443 0.00666283 0.359624} Si809 2425 0.0 -1 14 {} Si 0.0 {0.453758 0.00837317 0.609243} Si810 2426 0.0 -1 14 {} Si 0.0 {0.442635 0.0313959 0.438018} Si811 2427 0.0 -1 14 {} Si 0.0 {0.452669 0.0325282 0.527383} Si812 2428 0.0 -1 8 {} O 0.0 {0.442416 0.992658 0.386537} O1617 2429 0.0 -1 8 {} O 0.0 {0.452991 0.0184921 0.553109} O1618 2430 0.0 -1 8 {} O 0.0 {0.442538 0.0170625 0.412505} O1619 2431 0.0 -1 8 {} O 0.0 {0.452434 0.0433266 0.582587} O1620 2432 0.0 -1 8 {} O 0.0 {0.457777 0.0357881 0.488571} O1621 2433 0.0 -1 8 {} O 0.0 {0.447646 0.0325846 0.482961} O1622 2434 0.0 -1 8 {} O 0.0 {0.448688 0.0082832 0.653096} O1623 2435 0.0 -1 8 {} O 0.0 {0.438465 0.0100703 0.653855} O1624 2436 0.0 -1 14 {} Si 0.0 {0.443587 0.0119274 0.694335} Si813 2437 0.0 -1 14 {} Si 0.0 {0.453654 0.00870075 0.948596} Si814 2438 0.0 -1 14 {} Si 0.0 {0.443457 0.0360566 0.778012} Si815 2439 0.0 -1 14 {} Si 0.0 {0.45359 0.0323875 0.862654} Si816 2440 0.0 -1 8 {} O 0.0 {0.443298 0.0026104 0.752165} O1625 2441 0.0 -1 8 {} O 0.0 {0.454686 0.018187 0.891069} O1626 2442 0.0 -1 8 {} O 0.0 {0.443344 0.0264289 0.720719} O1627 2443 0.0 -1 8 {} O 0.0 {0.452693 0.041627 0.920917} O1628 2444 0.0 -1 8 {} O 0.0 {0.458566 0.037469 0.823794} O1629 2445 0.0 -1 8 {} O 0.0 {0.448758 0.0340056 0.816313} O1630 2446 0.0 -1 8 {} O 0.0 {0.44756 0.00999001 0.972521} O1631 2447 0.0 -1 8 {} O 0.0 {0.437587 0.00667938 0.99012} O1632 2448 0.0 -1 14 {} Si 0.0 {0.442941 0.058868 0.036567} Si817 2449 0.0 -1 14 {} Si 0.0 {0.452705 0.0594239 0.274885} Si818 2450 0.0 -1 14 {} Si 0.0 {0.442753 0.0837681 0.116847} Si819 2451 0.0 -1 14 {} Si 0.0 {0.453093 0.0843832 0.191662} Si820 2452 0.0 -1 8 {} O 0.0 {0.443602 0.0477583 0.0867631} O1633 2453 0.0 -1 8 {} O 0.0 {0.453086 0.073621 0.242143} O1634 2454 0.0 -1 8 {} O 0.0 {0.442114 0.0728399 0.0661165} O1635 2455 0.0 -1 8 {} O 0.0 {0.45247 0.0982789 0.226055} O1636 2456 0.0 -1 8 {} O 0.0 {0.458487 0.0858211 0.154144} O1637 2457 0.0 -1 8 {} O 0.0 {0.448355 0.0829456 0.146409} O1638 2458 0.0 -1 8 {} O 0.0 {0.448096 0.0607417 0.322558} O1639 2459 0.0 -1 8 {} O 0.0 {0.438013 0.0583844 0.315413} O1640 2460 0.0 -1 14 {} Si 0.0 {0.442911 0.0561951 0.360543} Si821 2461 0.0 -1 14 {} Si 0.0 {0.452794 0.0574368 0.609697} Si822 2462 0.0 -1 14 {} Si 0.0 {0.442439 0.0809567 0.438956} Si823 2463 0.0 -1 14 {} Si 0.0 {0.452635 0.0807896 0.520817} Si824 2464 0.0 -1 8 {} O 0.0 {0.443755 0.0417554 0.384144} O1641 2465 0.0 -1 8 {} O 0.0 {0.452691 0.0670564 0.552594} O1642 2466 0.0 -1 8 {} O 0.0 {0.442275 0.0663572 0.414087} O1643 2467 0.0 -1 8 {} O 0.0 {0.453078 0.0916011 0.57864} O1644 2468 0.0 -1 8 {} O 0.0 {0.457451 0.0842706 0.478273} O1645 2469 0.0 -1 8 {} O 0.0 {0.447572 0.084637 0.480686} O1646 2470 0.0 -1 8 {} O 0.0 {0.448745 0.0598384 0.663286} O1647 2471 0.0 -1 8 {} O 0.0 {0.438717 0.0563522 0.647931} O1648 2472 0.0 -1 14 {} Si 0.0 {0.443238 0.0608021 0.69729} Si825 2473 0.0 -1 14 {} Si 0.0 {0.452925 0.0569386 0.948464} Si826 2474 0.0 -1 14 {} Si 0.0 {0.443196 0.0834152 0.789438} Si827 2475 0.0 -1 14 {} Si 0.0 {0.453558 0.0814982 0.868835} Si828 2476 0.0 -1 8 {} O 0.0 {0.442816 0.0503254 0.752063} O1649 2477 0.0 -1 8 {} O 0.0 {0.452245 0.0672602 0.891159} O1650 2478 0.0 -1 8 {} O 0.0 {0.441811 0.0735581 0.732711} O1651 2479 0.0 -1 8 {} O 0.0 {0.453888 0.0902449 0.929402} O1652 2480 0.0 -1 8 {} O 0.0 {0.458954 0.0824959 0.835917} O1653 2481 0.0 -1 8 {} O 0.0 {0.449171 0.0855482 0.813744} O1654 2482 0.0 -1 8 {} O 0.0 {0.448559 0.0590286 0.999524} O1655 2483 0.0 -1 8 {} O 0.0 {0.438109 0.0541738 0.99243} O1656 2484 0.0 -1 14 {} Si 0.0 {0.462877 0.959091 0.0270454} Si829 2485 0.0 -1 14 {} Si 0.0 {0.472581 0.958902 0.279261} Si830 2486 0.0 -1 14 {} Si 0.0 {0.463133 0.983362 0.110245} Si831 2487 0.0 -1 14 {} Si 0.0 {0.472868 0.983992 0.200968} Si832 2488 0.0 -1 8 {} O 0.0 {0.463151 0.945061 0.0612525} O1657 2489 0.0 -1 8 {} O 0.0 {0.472283 0.969937 0.228853} O1658 2490 0.0 -1 8 {} O 0.0 {0.464226 0.969596 0.0783632} O1659 2491 0.0 -1 8 {} O 0.0 {0.47323 0.9953 0.253535} O1660 2492 0.0 -1 8 {} O 0.0 {0.47775 0.983543 0.154066} O1661 2493 0.0 -1 8 {} O 0.0 {0.467408 0.985834 0.162829} O1662 2494 0.0 -1 8 {} O 0.0 {0.46743 0.955459 0.318231} O1663 2495 0.0 -1 8 {} O 0.0 {0.457716 0.958876 0.333517} O1664 2496 0.0 -1 14 {} Si 0.0 {0.463222 0.956769 0.371245} Si833 2497 0.0 -1 14 {} Si 0.0 {0.473493 0.960822 0.609589} Si834 2498 0.0 -1 14 {} Si 0.0 {0.463321 0.983175 0.444037} Si835 2499 0.0 -1 14 {} Si 0.0 {0.473305 0.986086 0.530121} Si836 2500 0.0 -1 8 {} O 0.0 {0.462643 0.942506 0.401576} O1665 2501 0.0 -1 8 {} O 0.0 {0.474176 0.975851 0.583041} O1666 2502 0.0 -1 8 {} O 0.0 {0.463719 0.96819 0.424069} O1667 2503 0.0 -1 8 {} O 0.0 {0.472798 0.000110362 0.555418} O1668 2504 0.0 -1 8 {} O 0.0 {0.477906 0.983666 0.481686} O1669 2505 0.0 -1 8 {} O 0.0 {0.467826 0.983437 0.493728} O1670 2506 0.0 -1 8 {} O 0.0 {0.46853 0.961097 0.656688} O1671 2507 0.0 -1 8 {} O 0.0 {0.458228 0.965195 0.656009} O1672 2508 0.0 -1 14 {} Si 0.0 {0.463261 0.962502 0.694895} Si837 2509 0.0 -1 14 {} Si 0.0 {0.472764 0.963696 0.941135} Si838 2510 0.0 -1 14 {} Si 0.0 {0.463543 0.986558 0.779504} Si839 2511 0.0 -1 14 {} Si 0.0 {0.473512 0.988435 0.86155} Si840 2512 0.0 -1 8 {} O 0.0 {0.462237 0.948184 0.721911} O1673 2513 0.0 -1 8 {} O 0.0 {0.473612 0.977948 0.916765} O1674 2514 0.0 -1 8 {} O 0.0 {0.464511 0.97238 0.750261} O1675 2515 0.0 -1 8 {} O 0.0 {0.473651 0.00307919 0.891955} O1676 2516 0.0 -1 8 {} O 0.0 {0.478461 0.985718 0.820244} O1677 2517 0.0 -1 8 {} O 0.0 {0.467711 0.987554 0.831868} O1678 2518 0.0 -1 8 {} O 0.0 {0.466921 0.960036 0.969449} O1679 2519 0.0 -1 8 {} O 0.0 {0.457291 0.960598 0.9967} O1680 2520 0.0 -1 14 {} Si 0.0 {0.463127 0.00863618 0.0360469} Si841 2521 0.0 -1 14 {} Si 0.0 {0.473694 0.00977868 0.278606} Si842 2522 0.0 -1 14 {} Si 0.0 {0.46295 0.0329149 0.117912} Si843 2523 0.0 -1 14 {} Si 0.0 {0.473383 0.0338737 0.195844} Si844 2524 0.0 -1 8 {} O 0.0 {0.463009 0.994146 0.0587787} O1681 2525 0.0 -1 8 {} O 0.0 {0.472579 0.0193743 0.221015} O1682 2526 0.0 -1 8 {} O 0.0 {0.463764 0.0190288 0.0892948} O1683 2527 0.0 -1 8 {} O 0.0 {0.473909 0.0447405 0.248096} O1684 2528 0.0 -1 8 {} O 0.0 {0.477978 0.0363789 0.143941} O1685 2529 0.0 -1 8 {} O 0.0 {0.467837 0.0357522 0.161365} O1686 2530 0.0 -1 8 {} O 0.0 {0.46894 0.0113594 0.32644} O1687 2531 0.0 -1 8 {} O 0.0 {0.459038 0.0076243 0.312732} O1688 2532 0.0 -1 14 {} Si 0.0 {0.463697 0.00728241 0.361333} Si845 2533 0.0 -1 14 {} Si 0.0 {0.473827 0.0115959 0.60299} Si846 2534 0.0 -1 14 {} Si 0.0 {0.462535 0.033139 0.442285} Si847 2535 0.0 -1 14 {} Si 0.0 {0.472877 0.0369341 0.522239} Si848 2536 0.0 -1 8 {} O 0.0 {0.464253 0.993069 0.3882} O1689 2537 0.0 -1 8 {} O 0.0 {0.474329 0.0248267 0.564919} O1690 2538 0.0 -1 8 {} O 0.0 {0.462544 0.0181254 0.41288} O1691 2539 0.0 -1 8 {} O 0.0 {0.471735 0.0499623 0.560259} O1692 2540 0.0 -1 8 {} O 0.0 {0.477084 0.0389956 0.467007} O1693 2541 0.0 -1 8 {} O 0.0 {0.467613 0.0320559 0.48942} O1694 2542 0.0 -1 8 {} O 0.0 {0.468822 0.0142842 0.647759} O1695 2543 0.0 -1 8 {} O 0.0 {0.459111 0.0127577 0.640911} O1696 2544 0.0 -1 14 {} Si 0.0 {0.463906 0.0119917 0.690816} Si849 2545 0.0 -1 14 {} Si 0.0 {0.473129 0.0136136 0.94467} Si850 2546 0.0 -1 14 {} Si 0.0 {0.463167 0.0360966 0.775276} Si851 2547 0.0 -1 14 {} Si 0.0 {0.473426 0.0376263 0.861056} Si852 2548 0.0 -1 8 {} O 0.0 {0.46403 0.997737 0.725624} O1697 2549 0.0 -1 8 {} O 0.0 {0.47193 0.0268763 0.912217} O1698 2550 0.0 -1 8 {} O 0.0 {0.462538 0.0227974 0.737399} O1699 2551 0.0 -1 8 {} O 0.0 {0.473581 0.0517605 0.888418} O1700 2552 0.0 -1 8 {} O 0.0 {0.478849 0.0339974 0.830066} O1701 2553 0.0 -1 8 {} O 0.0 {0.468667 0.0358883 0.809917} O1702 2554 0.0 -1 8 {} O 0.0 {0.468106 0.0105688 0.987868} O1703 2555 0.0 -1 8 {} O 0.0 {0.457729 0.0116066 0.000851312} O1704 2556 0.0 -1 14 {} Si 0.0 {0.463233 0.0560408 0.0251029} Si853 2557 0.0 -1 14 {} Si 0.0 {0.473133 0.0584077 0.276121} Si854 2558 0.0 -1 14 {} Si 0.0 {0.463277 0.0808318 0.108223} Si855 2559 0.0 -1 14 {} Si 0.0 {0.473737 0.082301 0.181382} Si856 2560 0.0 -1 8 {} O 0.0 {0.463406 0.0423361 0.0574859} O1705 2561 0.0 -1 8 {} O 0.0 {0.473058 0.0688044 0.216284} O1706 2562 0.0 -1 8 {} O 0.0 {0.463289 0.0672069 0.0759581} O1707 2563 0.0 -1 8 {} O 0.0 {0.473151 0.0929088 0.236927} O1708 2564 0.0 -1 8 {} O 0.0 {0.479335 0.0865054 0.15255} O1709 2565 0.0 -1 8 {} O 0.0 {0.468985 0.08484 0.134358} O1710 2566 0.0 -1 8 {} O 0.0 {0.467948 0.060244 0.316549} O1711 2567 0.0 -1 8 {} O 0.0 {0.45801 0.056159 0.30845} O1712 2568 0.0 -1 14 {} Si 0.0 {0.462835 0.05694 0.355722} Si857 2569 0.0 -1 14 {} Si 0.0 {0.473321 0.0604644 0.60784} Si858 2570 0.0 -1 14 {} Si 0.0 {0.462655 0.0818629 0.441607} Si859 2571 0.0 -1 14 {} Si 0.0 {0.472995 0.083332 0.518115} Si860 2572 0.0 -1 8 {} O 0.0 {0.463402 0.0434359 0.388757} O1713 2573 0.0 -1 8 {} O 0.0 {0.474712 0.0733515 0.569747} O1714 2574 0.0 -1 8 {} O 0.0 {0.462089 0.0691305 0.400857} O1715 2575 0.0 -1 8 {} O 0.0 {0.47217 0.0978269 0.550461} O1716 2576 0.0 -1 8 {} O 0.0 {0.477778 0.0869125 0.473792} O1717 2577 0.0 -1 8 {} O 0.0 {0.46755 0.0801679 0.483315} O1718 2578 0.0 -1 8 {} O 0.0 {0.468986 0.0631211 0.658769} O1719 2579 0.0 -1 8 {} O 0.0 {0.458795 0.0588969 0.637037} O1720 2580 0.0 -1 14 {} Si 0.0 {0.463187 0.061301 0.689254} Si861 2581 0.0 -1 14 {} Si 0.0 {0.473504 0.061628 0.944496} Si862 2582 0.0 -1 14 {} Si 0.0 {0.462953 0.084622 0.779582} Si863 2583 0.0 -1 14 {} Si 0.0 {0.473149 0.0854293 0.856183} Si864 2584 0.0 -1 8 {} O 0.0 {0.463088 0.0482003 0.729397} O1721 2585 0.0 -1 8 {} O 0.0 {0.473057 0.0757706 0.916055} O1722 2586 0.0 -1 8 {} O 0.0 {0.461731 0.0748469 0.722386} O1723 2587 0.0 -1 8 {} O 0.0 {0.472441 0.0993609 0.887615} O1724 2588 0.0 -1 8 {} O 0.0 {0.478718 0.0871519 0.827698} O1725 2589 0.0 -1 8 {} O 0.0 {0.468722 0.0833087 0.805412} O1726 2590 0.0 -1 8 {} O 0.0 {0.46872 0.0582557 0.991815} O1727 2591 0.0 -1 8 {} O 0.0 {0.458824 0.0584134 0.975107} O1728 2592 0.0 -1 14 {} Si 0.0 {0.4822 0.959316 0.0297968} Si865 2593 0.0 -1 14 {} Si 0.0 {0.493292 0.963469 0.271082} Si866 2594 0.0 -1 14 {} Si 0.0 {0.482513 0.985073 0.108999} Si867 2595 0.0 -1 14 {} Si 0.0 {0.492856 0.988445 0.191985} Si868 2596 0.0 -1 8 {} O 0.0 {0.482893 0.946456 0.0730779} O1729 2597 0.0 -1 8 {} O 0.0 {0.493443 0.977122 0.239537} O1730 2598 0.0 -1 8 {} O 0.0 {0.483365 0.971972 0.0733256} O1731 2599 0.0 -1 8 {} O 0.0 {0.493782 0.00209675 0.224989} O1732 2600 0.0 -1 8 {} O 0.0 {0.497249 0.986185 0.142692} O1733 2601 0.0 -1 8 {} O 0.0 {0.487623 0.987685 0.152184} O1734 2602 0.0 -1 8 {} O 0.0 {0.487774 0.960445 0.304149} O1735 2603 0.0 -1 8 {} O 0.0 {0.477455 0.96061 0.323323} O1736 2604 0.0 -1 14 {} Si 0.0 {0.483285 0.962096 0.351824} Si869 2605 0.0 -1 14 {} Si 0.0 {0.492985 0.961265 0.610605} Si870 2606 0.0 -1 14 {} Si 0.0 {0.482907 0.98718 0.437738} Si871 2607 0.0 -1 14 {} Si 0.0 {0.492673 0.986396 0.532717} Si872 2608 0.0 -1 8 {} O 0.0 {0.483898 0.95059 0.402426} O1737 2609 0.0 -1 8 {} O 0.0 {0.492021 0.975313 0.584408} O1738 2610 0.0 -1 8 {} O 0.0 {0.483396 0.976011 0.389211} O1739 2611 0.0 -1 8 {} O 0.0 {0.493149 0.000811635 0.554724} O1740 2612 0.0 -1 8 {} O 0.0 {0.49804 0.98356 0.497884} O1741 2613 0.0 -1 8 {} O 0.0 {0.487786 0.985296 0.485509} O1742 2614 0.0 -1 8 {} O 0.0 {0.488895 0.958376 0.6668} O1743 2615 0.0 -1 8 {} O 0.0 {0.478674 0.956514 0.640664} O1744 2616 0.0 -1 14 {} Si 0.0 {0.483111 0.95967 0.697058} Si873 2617 0.0 -1 14 {} Si 0.0 {0.492519 0.9611 0.955091} Si874 2618 0.0 -1 14 {} Si 0.0 {0.483609 0.984738 0.776413} Si875 2619 0.0 -1 14 {} Si 0.0 {0.492982 0.985764 0.865905} Si876 2620 0.0 -1 8 {} O 0.0 {0.482413 0.94876 0.751542} O1745 2621 0.0 -1 8 {} O 0.0 {0.492825 0.975248 0.92129} O1746 2622 0.0 -1 8 {} O 0.0 {0.482383 0.973217 0.731042} O1747 2623 0.0 -1 8 {} O 0.0 {0.492025 0.00020161 0.890467} O1748 2624 0.0 -1 8 {} O 0.0 {0.498594 0.985552 0.830872} O1749 2625 0.0 -1 8 {} O 0.0 {0.488664 0.981752 0.817855} O1750 2626 0.0 -1 8 {} O 0.0 {0.486878 0.956586 0.982064} O1751 2627 0.0 -1 8 {} O 0.0 {0.476874 0.959915 0.992513} O1752 2628 0.0 -1 14 {} Si 0.0 {0.4824 0.0102833 0.0331857} Si877 2629 0.0 -1 14 {} Si 0.0 {0.493825 0.0128465 0.280507} Si878 2630 0.0 -1 14 {} Si 0.0 {0.483497 0.0350668 0.112056} Si879 2631 0.0 -1 14 {} Si 0.0 {0.493888 0.0379098 0.193707} Si880 2632 0.0 -1 8 {} O 0.0 {0.481725 0.995779 0.0574078} O1753 2633 0.0 -1 8 {} O 0.0 {0.493161 0.0271456 0.245408} O1754 2634 0.0 -1 8 {} O 0.0 {0.48425 0.0201455 0.0845055} O1755 2635 0.0 -1 8 {} O 0.0 {0.495014 0.0513952 0.225732} O1756 2636 0.0 -1 8 {} O 0.0 {0.498737 0.0332117 0.155031} O1757 2637 0.0 -1 8 {} O 0.0 {0.488376 0.039694 0.15679} O1758 2638 0.0 -1 8 {} O 0.0 {0.488964 0.0107428 0.324015} O1759 2639 0.0 -1 8 {} O 0.0 {0.479129 0.0122527 0.310179} O1760 2640 0.0 -1 14 {} Si 0.0 {0.483453 0.0124506 0.362144} Si881 2641 0.0 -1 14 {} Si 0.0 {0.493512 0.0119519 0.606657} Si882 2642 0.0 -1 14 {} Si 0.0 {0.482644 0.0389725 0.437437} Si883 2643 0.0 -1 14 {} Si 0.0 {0.49236 0.0370758 0.528656} Si884 2644 0.0 -1 8 {} O 0.0 {0.482919 0.00143135 0.410315} O1761 2645 0.0 -1 8 {} O 0.0 {0.493331 0.0260133 0.579465} O1762 2646 0.0 -1 8 {} O 0.0 {0.483216 0.0261026 0.395204} O1763 2647 0.0 -1 8 {} O 0.0 {0.493888 0.0513664 0.556555} O1764 2648 0.0 -1 8 {} O 0.0 {0.497026 0.0348429 0.478681} O1765 2649 0.0 -1 8 {} O 0.0 {0.486718 0.0369792 0.49327} O1766 2650 0.0 -1 8 {} O 0.0 {0.488926 0.0107366 0.658452} O1767 2651 0.0 -1 8 {} O 0.0 {0.479076 0.0102149 0.642651} O1768 2652 0.0 -1 14 {} Si 0.0 {0.483347 0.0108974 0.694048} Si885 2653 0.0 -1 14 {} Si 0.0 {0.492929 0.0106956 0.944116} Si886 2654 0.0 -1 14 {} Si 0.0 {0.483363 0.0346927 0.783006} Si887 2655 0.0 -1 14 {} Si 0.0 {0.493994 0.034966 0.861298} Si888 2656 0.0 -1 8 {} O 0.0 {0.483857 0.997933 0.73572} O1769 2657 0.0 -1 8 {} O 0.0 {0.49251 0.0242019 0.911202} O1770 2658 0.0 -1 8 {} O 0.0 {0.48259 0.0234024 0.734786} O1771 2659 0.0 -1 8 {} O 0.0 {0.494676 0.0485667 0.890756} O1772 2660 0.0 -1 8 {} O 0.0 {0.499585 0.0324873 0.82904} O1773 2661 0.0 -1 8 {} O 0.0 {0.489059 0.0352675 0.813878} O1774 2662 0.0 -1 8 {} O 0.0 {0.487586 0.00999235 0.988754} O1775 2663 0.0 -1 8 {} O 0.0 {0.477351 0.0153231 0.998975} O1776 2664 0.0 -1 14 {} Si 0.0 {0.483806 0.0595214 0.0304661} Si889 2665 0.0 -1 14 {} Si 0.0 {0.494221 0.0623733 0.276328} Si890 2666 0.0 -1 14 {} Si 0.0 {0.484752 0.0836037 0.115603} Si891 2667 0.0 -1 14 {} Si 0.0 {0.494557 0.0872109 0.196458} Si892 2668 0.0 -1 8 {} O 0.0 {0.483001 0.0449077 0.0541718} O1777 2669 0.0 -1 8 {} O 0.0 {0.495325 0.0764738 0.252796} O1778 2670 0.0 -1 8 {} O 0.0 {0.484377 0.0698674 0.083917} O1779 2671 0.0 -1 8 {} O 0.0 {0.495633 0.102135 0.218252} O1780 2672 0.0 -1 8 {} O 0.0 {0.498806 0.0865913 0.138984} O1781 2673 0.0 -1 8 {} O 0.0 {0.489076 0.0865046 0.167922} O1782 2674 0.0 -1 8 {} O 0.0 {0.488502 0.0615862 0.308091} O1783 2675 0.0 -1 8 {} O 0.0 {0.477953 0.0617091 0.319136} O1784 2676 0.0 -1 14 {} Si 0.0 {0.483546 0.0629431 0.353037} Si893 2677 0.0 -1 14 {} Si 0.0 {0.493498 0.0620789 0.612095} Si894 2678 0.0 -1 14 {} Si 0.0 {0.483345 0.0866242 0.446061} Si895 2679 0.0 -1 14 {} Si 0.0 {0.493639 0.0870438 0.530346} Si896 2680 0.0 -1 8 {} O 0.0 {0.484115 0.0521584 0.403196} O1785 2681 0.0 -1 8 {} O 0.0 {0.493784 0.0759015 0.584727} O1786 2682 0.0 -1 8 {} O 0.0 {0.483695 0.076492 0.388087} O1787 2683 0.0 -1 8 {} O 0.0 {0.492455 0.100817 0.562107} O1788 2684 0.0 -1 8 {} O 0.0 {0.499161 0.0866029 0.49216} O1789 2685 0.0 -1 8 {} O 0.0 {0.488323 0.0840094 0.493256} O1790 2686 0.0 -1 8 {} O 0.0 {0.488342 0.0609725 0.652103} O1791 2687 0.0 -1 8 {} O 0.0 {0.478375 0.0561012 0.646758} O1792 2688 0.0 -1 14 {} Si 0.0 {0.483152 0.0593494 0.69363} Si897 2689 0.0 -1 14 {} Si 0.0 {0.493774 0.0595535 0.941066} Si898 2690 0.0 -1 14 {} Si 0.0 {0.482957 0.084461 0.7728} Si899 2691 0.0 -1 14 {} Si 0.0 {0.493563 0.082811 0.850345} Si900 2692 0.0 -1 8 {} O 0.0 {0.483481 0.0486019 0.748451} O1793 2693 0.0 -1 8 {} O 0.0 {0.493784 0.0734036 0.908701} O1794 2694 0.0 -1 8 {} O 0.0 {0.481895 0.0725625 0.724946} O1795 2695 0.0 -1 8 {} O 0.0 {0.494514 0.0970312 0.880411} O1796 2696 0.0 -1 8 {} O 0.0 {0.498783 0.0795471 0.812635} O1797 2697 0.0 -1 8 {} O 0.0 {0.488484 0.0830017 0.807445} O1798 2698 0.0 -1 8 {} O 0.0 {0.488649 0.0593075 0.984476} O1799 2699 0.0 -1 8 {} O 0.0 {0.4788 0.062429 0.985242} O1800 2700 0.0 -1 14 {} Si 0.0 {0.502886 0.957989 0.0278919} Si901 2701 0.0 -1 14 {} Si 0.0 {0.513088 0.970132 0.311552} Si902 2702 0.0 -1 14 {} Si 0.0 {0.502749 0.982994 0.105418} Si903 2703 0.0 -1 14 {} Si 0.0 {0.512802 0.985208 0.188318} Si904 2704 0.0 -1 8 {} O 0.0 {0.504225 0.943876 0.061512} O1801 2705 0.0 -1 8 {} O 0.0 {0.512823 0.97372 0.240971} O1802 2706 0.0 -1 8 {} O 0.0 {0.502966 0.967734 0.0859907} O1803 2707 0.0 -1 8 {} O 0.0 {0.513523 0.998127 0.226452} O1804 2708 0.0 -1 8 {} O 0.0 {0.517584 0.982716 0.14057} O1805 2709 0.0 -1 8 {} O 0.0 {0.507343 0.984031 0.154147} O1806 2710 0.0 -1 8 {} O 0.0 {0.508192 0.960682 0.32486} O1807 2711 0.0 -1 8 {} O 0.0 {0.497769 0.959334 0.31882} O1808 2712 0.0 -1 14 {} Si 0.0 {0.502773 0.958835 0.36104} Si905 2713 0.0 -1 14 {} Si 0.0 {0.512908 0.960441 0.610779} Si906 2714 0.0 -1 14 {} Si 0.0 {0.502579 0.983072 0.443998} Si907 2715 0.0 -1 14 {} Si 0.0 {0.513318 0.98437 0.523476} Si908 2716 0.0 -1 8 {} O 0.0 {0.50305 0.943217 0.384779} O1809 2717 0.0 -1 8 {} O 0.0 {0.512735 0.974747 0.58011} O1810 2718 0.0 -1 8 {} O 0.0 {0.502299 0.968699 0.416736} O1811 2719 0.0 -1 8 {} O 0.0 {0.514016 0.99876 0.551646} O1812 2720 0.0 -1 8 {} O 0.0 {0.518399 0.980829 0.481399} O1813 2721 0.0 -1 8 {} O 0.0 {0.50787 0.984153 0.484348} O1814 2722 0.0 -1 8 {} O 0.0 {0.508657 0.959634 0.665693} O1815 2723 0.0 -1 8 {} O 0.0 {0.4985 0.960683 0.645243} O1816 2724 0.0 -1 14 {} Si 0.0 {0.503093 0.960865 0.696537} Si909 2725 0.0 -1 14 {} Si 0.0 {0.512985 0.958741 0.938069} Si910 2726 0.0 -1 14 {} Si 0.0 {0.503205 0.985797 0.779172} Si911 2727 0.0 -1 14 {} Si 0.0 {0.513854 0.982359 0.852997} Si912 2728 0.0 -1 8 {} O 0.0 {0.50217 0.947575 0.73907} O1817 2729 0.0 -1 8 {} O 0.0 {0.513495 0.968094 0.878213} O1818 2730 0.0 -1 8 {} O 0.0 {0.502327 0.972166 0.744012} O1819 2731 0.0 -1 8 {} O 0.0 {0.513585 0.991001 0.914647} O1820 2732 0.0 -1 8 {} O 0.0 {0.518457 0.98626 0.809432} O1821 2733 0.0 -1 8 {} O 0.0 {0.508426 0.985 0.817136} O1822 2734 0.0 -1 8 {} O 0.0 {0.507256 0.95807 0.975348} O1823 2735 0.0 -1 8 {} O 0.0 {0.497059 0.958199 0.00317395} O1824 2736 0.0 -1 14 {} Si 0.0 {0.503396 0.006895 0.0208857} Si913 2737 0.0 -1 14 {} Si 0.0 {0.513429 0.0100394 0.276212} Si914 2738 0.0 -1 14 {} Si 0.0 {0.503771 0.0308888 0.111293} Si915 2739 0.0 -1 14 {} Si 0.0 {0.513882 0.0344426 0.192541} Si916 2740 0.0 -1 8 {} O 0.0 {0.503396 0.992998 0.0500181} O1825 2741 0.0 -1 8 {} O 0.0 {0.513485 0.0238448 0.243293} O1826 2742 0.0 -1 8 {} O 0.0 {0.504165 0.017091 0.0776528} O1827 2743 0.0 -1 8 {} O 0.0 {0.514066 0.0484527 0.226671} O1828 2744 0.0 -1 8 {} O 0.0 {0.518977 0.032825 0.152033} O1829 2745 0.0 -1 8 {} O 0.0 {0.508884 0.0350123 0.149576} O1830 2746 0.0 -1 8 {} O 0.0 {0.508974 0.00643362 0.324721} O1831 2747 0.0 -1 8 {} O 0.0 {0.498989 0.013175 0.316826} O1832 2748 0.0 -1 14 {} Si 0.0 {0.503455 0.0075676 0.361418} Si917 2749 0.0 -1 14 {} Si 0.0 {0.513825 0.00827373 0.608601} Si918 2750 0.0 -1 14 {} Si 0.0 {0.503014 0.0320459 0.451219} Si919 2751 0.0 -1 14 {} Si 0.0 {0.512921 0.0333353 0.531591} Si920 2752 0.0 -1 8 {} O 0.0 {0.502772 0.993941 0.392663} O1833 2753 0.0 -1 8 {} O 0.0 {0.513153 0.0229379 0.586733} O1834 2754 0.0 -1 8 {} O 0.0 {0.503313 0.0184617 0.417719} O1835 2755 0.0 -1 8 {} O 0.0 {0.514379 0.0474205 0.562209} O1836 2756 0.0 -1 8 {} O 0.0 {0.517582 0.0324154 0.479788} O1837 2757 0.0 -1 8 {} O 0.0 {0.507076 0.034899 0.505248} O1838 2758 0.0 -1 8 {} O 0.0 {0.508604 0.00579231 0.646039} O1839 2759 0.0 -1 8 {} O 0.0 {0.498945 0.0115856 0.645511} O1840 2760 0.0 -1 14 {} Si 0.0 {0.503664 0.00985875 0.694167} Si921 2761 0.0 -1 14 {} Si 0.0 {0.513808 0.00561367 0.942727} Si922 2762 0.0 -1 14 {} Si 0.0 {0.504216 0.0346167 0.781499} Si923 2763 0.0 -1 14 {} Si 0.0 {0.514463 0.0306126 0.865659} Si924 2764 0.0 -1 8 {} O 0.0 {0.502143 0.997545 0.734475} O1841 2765 0.0 -1 8 {} O 0.0 {0.513859 0.0162643 0.888814} O1842 2766 0.0 -1 8 {} O 0.0 {0.504327 0.0229753 0.732516} O1843 2767 0.0 -1 8 {} O 0.0 {0.514025 0.0406846 0.920081} O1844 2768 0.0 -1 8 {} O 0.0 {0.51954 0.0330431 0.820897} O1845 2769 0.0 -1 8 {} O 0.0 {0.509699 0.0329138 0.816144} O1846 2770 0.0 -1 8 {} O 0.0 {0.508518 0.00866925 0.978026} O1847 2771 0.0 -1 8 {} O 0.0 {0.498518 0.00919535 0.97848} O1848 2772 0.0 -1 14 {} Si 0.0 {0.503771 0.0557948 0.0307648} Si925 2773 0.0 -1 14 {} Si 0.0 {0.514289 0.0579042 0.283244} Si926 2774 0.0 -1 14 {} Si 0.0 {0.504149 0.0813186 0.106658} Si927 2775 0.0 -1 14 {} Si 0.0 {0.51414 0.0816823 0.195689} Si928 2776 0.0 -1 8 {} O 0.0 {0.503508 0.0415766 0.0555066} O1849 2777 0.0 -1 8 {} O 0.0 {0.514737 0.0718106 0.251625} O1850 2778 0.0 -1 8 {} O 0.0 {0.50377 0.0669133 0.0813195} O1851 2779 0.0 -1 8 {} O 0.0 {0.514676 0.0961482 0.22179} O1852 2780 0.0 -1 8 {} O 0.0 {0.518688 0.0803743 0.143034} O1853 2781 0.0 -1 8 {} O 0.0 {0.5087 0.0827235 0.157981} O1854 2782 0.0 -1 8 {} O 0.0 {0.508858 0.0581394 0.323616} O1855 2783 0.0 -1 8 {} O 0.0 {0.498363 0.0584598 0.329426} O1856 2784 0.0 -1 14 {} Si 0.0 {0.503867 0.0561316 0.366544} Si929 2785 0.0 -1 14 {} Si 0.0 {0.514067 0.0590983 0.61005} Si930 2786 0.0 -1 14 {} Si 0.0 {0.503658 0.081427 0.443906} Si931 2787 0.0 -1 14 {} Si 0.0 {0.513998 0.0820675 0.518468} Si932 2788 0.0 -1 8 {} O 0.0 {0.503694 0.0414997 0.393007} O1857 2789 0.0 -1 8 {} O 0.0 {0.512692 0.0719616 0.573505} O1858 2790 0.0 -1 8 {} O 0.0 {0.503683 0.0672478 0.419649} O1859 2791 0.0 -1 8 {} O 0.0 {0.51559 0.0952124 0.55739} O1860 2792 0.0 -1 8 {} O 0.0 {0.519143 0.0784428 0.48046} O1861 2793 0.0 -1 8 {} O 0.0 {0.508829 0.0854877 0.476783} O1862 2794 0.0 -1 8 {} O 0.0 {0.509222 0.0544791 0.65146} O1863 2795 0.0 -1 8 {} O 0.0 {0.498872 0.0596457 0.651716} O1864 2796 0.0 -1 14 {} Si 0.0 {0.504072 0.0581271 0.693735} Si933 2797 0.0 -1 14 {} Si 0.0 {0.514203 0.0550566 0.947917} Si934 2798 0.0 -1 14 {} Si 0.0 {0.504156 0.0819712 0.779573} Si935 2799 0.0 -1 14 {} Si 0.0 {0.514045 0.0799247 0.86939} Si936 2800 0.0 -1 8 {} O 0.0 {0.503194 0.0474581 0.7453} O1865 2801 0.0 -1 8 {} O 0.0 {0.513492 0.0654964 0.893105} O1866 2802 0.0 -1 8 {} O 0.0 {0.505404 0.0715169 0.727923} O1867 2803 0.0 -1 8 {} O 0.0 {0.51397 0.0890958 0.930785} O1868 2804 0.0 -1 8 {} O 0.0 {0.519357 0.083542 0.835411} O1869 2805 0.0 -1 8 {} O 0.0 {0.509187 0.0835742 0.826534} O1870 2806 0.0 -1 8 {} O 0.0 {0.50905 0.0582149 0.99106} O1871 2807 0.0 -1 8 {} O 0.0 {0.498877 0.0590192 0.986337} O1872 2808 0.0 -1 14 {} Si 0.0 {0.522986 0.962852 0.0173561} Si937 2809 0.0 -1 14 {} Si 0.0 {0.533506 0.954235 0.270421} Si938 2810 0.0 -1 14 {} Si 0.0 {0.523102 0.985991 0.114733} Si939 2811 0.0 -1 14 {} Si 0.0 {0.533191 0.980049 0.194664} Si940 2812 0.0 -1 8 {} O 0.0 {0.523478 0.951244 0.0679652} O1873 2813 0.0 -1 8 {} O 0.0 {0.533175 0.965956 0.220373} O1874 2814 0.0 -1 8 {} O 0.0 {0.523749 0.975557 0.0580505} O1875 2815 0.0 -1 8 {} O 0.0 {0.533943 0.990342 0.24788} O1876 2816 0.0 -1 8 {} O 0.0 {0.537383 0.981439 0.13886} O1877 2817 0.0 -1 8 {} O 0.0 {0.527527 0.982523 0.165474} O1878 2818 0.0 -1 8 {} O 0.0 {0.528012 0.95203 0.305475} O1879 2819 0.0 -1 8 {} O 0.0 {0.518074 0.960842 0.31686} O1880 2820 0.0 -1 14 {} Si 0.0 {0.523446 0.957076 0.351811} Si941 2821 0.0 -1 14 {} Si 0.0 {0.533828 0.958485 0.615995} Si942 2822 0.0 -1 14 {} Si 0.0 {0.523839 0.979825 0.44615} Si943 2823 0.0 -1 14 {} Si 0.0 {0.534361 0.980902 0.522266} Si944 2824 0.0 -1 8 {} O 0.0 {0.522376 0.944034 0.394719} O1881 2825 0.0 -1 8 {} O 0.0 {0.534709 0.967429 0.554127} O1882 2826 0.0 -1 8 {} O 0.0 {0.524499 0.966661 0.408842} O1883 2827 0.0 -1 8 {} O 0.0 {0.535071 0.992044 0.569998} O1884 2828 0.0 -1 8 {} O 0.0 {0.539054 0.982239 0.475342} O1885 2829 0.0 -1 8 {} O 0.0 {0.528688 0.982191 0.49155} O1886 2830 0.0 -1 8 {} O 0.0 {0.528519 0.962505 0.650516} O1887 2831 0.0 -1 8 {} O 0.0 {0.518517 0.956422 0.645145} O1888 2832 0.0 -1 14 {} Si 0.0 {0.523523 0.958221 0.690055} Si945 2833 0.0 -1 14 {} Si 0.0 {0.533121 0.955136 0.947537} Si946 2834 0.0 -1 14 {} Si 0.0 {0.523782 0.982242 0.773503} Si947 2835 0.0 -1 14 {} Si 0.0 {0.533717 0.97877 0.86} Si948 2836 0.0 -1 8 {} O 0.0 {0.523991 0.943894 0.715017} O1889 2837 0.0 -1 8 {} O 0.0 {0.534182 0.964514 0.891131} O1890 2838 0.0 -1 8 {} O 0.0 {0.522614 0.968646 0.744333} O1891 2839 0.0 -1 8 {} O 0.0 {0.534127 0.989793 0.910995} O1892 2840 0.0 -1 8 {} O 0.0 {0.538521 0.980228 0.811228} O1893 2841 0.0 -1 8 {} O 0.0 {0.528318 0.980873 0.826957} O1894 2842 0.0 -1 8 {} O 0.0 {0.527391 0.958805 0.96842} O1895 2843 0.0 -1 8 {} O 0.0 {0.51731 0.962039 0.989784} O1896 2844 0.0 -1 14 {} Si 0.0 {0.523794 0.00965356 0.0281499} Si949 2845 0.0 -1 14 {} Si 0.0 {0.533675 0.00424324 0.277669} Si950 2846 0.0 -1 14 {} Si 0.0 {0.523877 0.0345849 0.106948} Si951 2847 0.0 -1 14 {} Si 0.0 {0.53432 0.0286941 0.190436} Si952 2848 0.0 -1 8 {} O 0.0 {0.523801 4.86848e-005 0.0858971} O1897 2849 0.0 -1 8 {} O 0.0 {0.534308 0.0156304 0.226825} O1898 2850 0.0 -1 8 {} O 0.0 {0.523455 0.0243057 0.0516582} O1899 2851 0.0 -1 8 {} O 0.0 {0.534808 0.0405252 0.237515} O1900 2852 0.0 -1 8 {} O 0.0 {0.539267 0.0299577 0.148012} O1901 2853 0.0 -1 8 {} O 0.0 {0.529239 0.0315204 0.148442} O1902 2854 0.0 -1 8 {} O 0.0 {0.528785 0.00649996 0.32571} O1903 2855 0.0 -1 8 {} O 0.0 {0.518814 0.0078881 0.317324} O1904 2856 0.0 -1 14 {} Si 0.0 {0.523521 0.00529063 0.362687} Si953 2857 0.0 -1 14 {} Si 0.0 {0.534042 0.00602957 0.603555} Si954 2858 0.0 -1 14 {} Si 0.0 {0.523135 0.0293683 0.447809} Si955 2859 0.0 -1 14 {} Si 0.0 {0.53334 0.0318595 0.524644} Si956 2860 0.0 -1 8 {} O 0.0 {0.522879 0.990886 0.392389} O1905 2861 0.0 -1 8 {} O 0.0 {0.534604 0.0176779 0.553962} O1906 2862 0.0 -1 8 {} O 0.0 {0.523291 0.015039 0.42064} O1907 2863 0.0 -1 8 {} O 0.0 {0.533962 0.0412214 0.585124} O1908 2864 0.0 -1 8 {} O 0.0 {0.537905 0.0348914 0.479701} O1909 2865 0.0 -1 8 {} O 0.0 {0.527406 0.0319705 0.500704} O1910 2866 0.0 -1 8 {} O 0.0 {0.528451 0.00618247 0.633376} O1911 2867 0.0 -1 8 {} O 0.0 {0.518407 0.0049946 0.658092} O1912 2868 0.0 -1 14 {} Si 0.0 {0.524324 0.0054269 0.68643} Si957 2869 0.0 -1 14 {} Si 0.0 {0.533747 0.00366666 0.93842} Si958 2870 0.0 -1 14 {} Si 0.0 {0.524089 0.0311143 0.769156} Si959 2871 0.0 -1 14 {} Si 0.0 {0.534376 0.0287108 0.849638} Si960 2872 0.0 -1 8 {} O 0.0 {0.525373 0.992841 0.723797} O1913 2873 0.0 -1 8 {} O 0.0 {0.533851 0.0145936 0.886819} O1914 2874 0.0 -1 8 {} O 0.0 {0.524565 0.0179205 0.728088} O1915 2875 0.0 -1 8 {} O 0.0 {0.53384 0.0385614 0.909316} O1916 2876 0.0 -1 8 {} O 0.0 {0.539865 0.0311947 0.817719} O1917 2877 0.0 -1 8 {} O 0.0 {0.529751 0.0314215 0.802416} O1918 2878 0.0 -1 8 {} O 0.0 {0.528632 0.00707045 0.976295} O1919 2879 0.0 -1 8 {} O 0.0 {0.518782 0.0063952 0.988394} O1920 2880 0.0 -1 14 {} Si 0.0 {0.524609 0.0584094 0.0208512} Si961 2881 0.0 -1 14 {} Si 0.0 {0.533913 0.0546124 0.264442} Si962 2882 0.0 -1 14 {} Si 0.0 {0.524066 0.0819156 0.107417} Si963 2883 0.0 -1 14 {} Si 0.0 {0.533962 0.0797238 0.188944} Si964 2884 0.0 -1 8 {} O 0.0 {0.524661 0.0484138 0.0764792} O1921 2885 0.0 -1 8 {} O 0.0 {0.533986 0.0647588 0.206859} O1922 2886 0.0 -1 8 {} O 0.0 {0.524822 0.0722396 0.050055} O1923 2887 0.0 -1 8 {} O 0.0 {0.534203 0.087909 0.251654} O1924 2888 0.0 -1 8 {} O 0.0 {0.539158 0.0826184 0.154282} O1925 2889 0.0 -1 8 {} O 0.0 {0.528945 0.0823906 0.150961} O1926 2890 0.0 -1 8 {} O 0.0 {0.528658 0.0557069 0.306538} O1927 2891 0.0 -1 8 {} O 0.0 {0.519092 0.055225 0.32945} O1928 2892 0.0 -1 14 {} Si 0.0 {0.524633 0.0527939 0.361825} Si965 2893 0.0 -1 14 {} Si 0.0 {0.534265 0.055046 0.612743} Si966 2894 0.0 -1 14 {} Si 0.0 {0.524814 0.0767743 0.447544} Si967 2895 0.0 -1 14 {} Si 0.0 {0.535083 0.0797776 0.525954} Si968 2896 0.0 -1 8 {} O 0.0 {0.525108 0.0381898 0.387896} O1929 2897 0.0 -1 8 {} O 0.0 {0.535335 0.0663192 0.564893} O1930 2898 0.0 -1 8 {} O 0.0 {0.525897 0.0631558 0.415509} O1931 2899 0.0 -1 8 {} O 0.0 {0.535744 0.0915169 0.573992} O1932 2900 0.0 -1 8 {} O 0.0 {0.539119 0.0815739 0.467311} O1933 2901 0.0 -1 8 {} O 0.0 {0.529206 0.0815237 0.497906} O1934 2902 0.0 -1 8 {} O 0.0 {0.529098 0.0575801 0.65084} O1935 2903 0.0 -1 8 {} O 0.0 {0.519197 0.0605532 0.655621} O1936 2904 0.0 -1 14 {} Si 0.0 {0.524153 0.0568682 0.697036} Si969 2905 0.0 -1 14 {} Si 0.0 {0.534309 0.0530276 0.931953} Si970 2906 0.0 -1 14 {} Si 0.0 {0.524363 0.079119 0.792321} Si971 2907 0.0 -1 14 {} Si 0.0 {0.534983 0.0782649 0.857223} Si972 2908 0.0 -1 8 {} O 0.0 {0.523309 0.0420554 0.716643} O1937 2909 0.0 -1 8 {} O 0.0 {0.534528 0.0634942 0.87785} O1938 2910 0.0 -1 8 {} O 0.0 {0.524777 0.0652867 0.760558} O1939 2911 0.0 -1 8 {} O 0.0 {0.536912 0.0859415 0.920526} O1940 2912 0.0 -1 8 {} O 0.0 {0.539626 0.0806257 0.813137} O1941 2913 0.0 -1 8 {} O 0.0 {0.529552 0.0826253 0.830645} O1942 2914 0.0 -1 8 {} O 0.0 {0.52984 0.0560638 0.981924} O1943 2915 0.0 -1 8 {} O 0.0 {0.519815 0.0584177 0.973646} O1944 2916 0.0 -1 14 {} Si 0.0 {0.543176 0.958458 0.0279087} Si973 2917 0.0 -1 14 {} Si 0.0 {0.554214 0.960707 0.279037} Si974 2918 0.0 -1 14 {} Si 0.0 {0.542974 0.982986 0.108246} Si975 2919 0.0 -1 14 {} Si 0.0 {0.553144 0.984178 0.193108} Si976 2920 0.0 -1 8 {} O 0.0 {0.544764 0.948732 0.0876858} O1945 2921 0.0 -1 8 {} O 0.0 {0.554483 0.974731 0.247026} O1946 2922 0.0 -1 8 {} O 0.0 {0.544153 0.972607 0.0563894} O1947 2923 0.0 -1 8 {} O 0.0 {0.552817 0.998189 0.216585} O1948 2924 0.0 -1 8 {} O 0.0 {0.557845 0.982833 0.143477} O1949 2925 0.0 -1 8 {} O 0.0 {0.547801 0.980778 0.157263} O1950 2926 0.0 -1 8 {} O 0.0 {0.548588 0.956699 0.306674} O1951 2927 0.0 -1 8 {} O 0.0 {0.53827 0.956638 0.318339} O1952 2928 0.0 -1 14 {} Si 0.0 {0.543594 0.95576 0.354903} Si977 2929 0.0 -1 14 {} Si 0.0 {0.553371 0.957879 0.601172} Si978 2930 0.0 -1 14 {} Si 0.0 {0.544047 0.981341 0.430048} Si979 2931 0.0 -1 14 {} Si 0.0 {0.554084 0.984196 0.521764} Si980 2932 0.0 -1 8 {} O 0.0 {0.543615 0.942219 0.393629} O1953 2933 0.0 -1 8 {} O 0.0 {0.553801 0.972498 0.57255} O1954 2934 0.0 -1 8 {} O 0.0 {0.543997 0.967256 0.402611} O1955 2935 0.0 -1 8 {} O 0.0 {0.554028 0.997991 0.553926} O1956 2936 0.0 -1 8 {} O 0.0 {0.559094 0.983249 0.477548} O1957 2937 0.0 -1 8 {} O 0.0 {0.548918 0.980897 0.480751} O1958 2938 0.0 -1 8 {} O 0.0 {0.547883 0.953608 0.629819} O1959 2939 0.0 -1 8 {} O 0.0 {0.538704 0.95856 0.661774} O1960 2940 0.0 -1 14 {} Si 0.0 {0.544091 0.954504 0.690956} Si981 2941 0.0 -1 14 {} Si 0.0 {0.553805 0.956759 0.952238} Si982 2942 0.0 -1 14 {} Si 0.0 {0.544003 0.97853 0.774215} Si983 2943 0.0 -1 14 {} Si 0.0 {0.553594 0.979145 0.858629} Si984 2944 0.0 -1 8 {} O 0.0 {0.544135 0.940564 0.720539} O1961 2945 0.0 -1 8 {} O 0.0 {0.554195 0.965641 0.894562} O1962 2946 0.0 -1 8 {} O 0.0 {0.54534 0.965389 0.741201} O1963 2947 0.0 -1 8 {} O 0.0 {0.554653 0.989987 0.910233} O1964 2948 0.0 -1 8 {} O 0.0 {0.558248 0.98119 0.806648} O1965 2949 0.0 -1 8 {} O 0.0 {0.547936 0.980078 0.831701} O1966 2950 0.0 -1 8 {} O 0.0 {0.547631 0.956223 0.980112} O1967 2951 0.0 -1 8 {} O 0.0 {0.537304 0.95559 0.00181544} O1968 2952 0.0 -1 14 {} Si 0.0 {0.54373 0.00704612 0.0253753} Si985 2953 0.0 -1 14 {} Si 0.0 {0.553912 0.00942623 0.266878} Si986 2954 0.0 -1 14 {} Si 0.0 {0.544361 0.0319335 0.104327} Si987 2955 0.0 -1 14 {} Si 0.0 {0.554643 0.0337798 0.185465} Si988 2956 0.0 -1 8 {} O 0.0 {0.543609 0.996585 0.0778273} O1969 2957 0.0 -1 8 {} O 0.0 {0.554969 0.0232798 0.239494} O1970 2958 0.0 -1 8 {} O 0.0 {0.544973 0.0207882 0.0566199} O1971 2959 0.0 -1 8 {} O 0.0 {0.554925 0.0479038 0.214369} O1972 2960 0.0 -1 8 {} O 0.0 {0.55913 0.0330871 0.132931} O1973 2961 0.0 -1 8 {} O 0.0 {0.549005 0.0325731 0.15297} O1974 2962 0.0 -1 8 {} O 0.0 {0.548844 0.0113079 0.313995} O1975 2963 0.0 -1 8 {} O 0.0 {0.538874 0.00550646 0.319867} O1976 2964 0.0 -1 14 {} Si 0.0 {0.544259 0.00739558 0.360168} Si989 2965 0.0 -1 14 {} Si 0.0 {0.553354 0.00804259 0.608572} Si990 2966 0.0 -1 14 {} Si 0.0 {0.543037 0.0314515 0.442176} Si991 2967 0.0 -1 14 {} Si 0.0 {0.553458 0.0320546 0.52094} Si992 2968 0.0 -1 8 {} O 0.0 {0.545222 0.992991 0.381923} O1977 2969 0.0 -1 8 {} O 0.0 {0.553133 0.0218186 0.576493} O1978 2970 0.0 -1 8 {} O 0.0 {0.542988 0.0171983 0.41392} O1979 2971 0.0 -1 8 {} O 0.0 {0.555087 0.0453628 0.549932} O1980 2972 0.0 -1 8 {} O 0.0 {0.558328 0.0270069 0.478531} O1981 2973 0.0 -1 8 {} O 0.0 {0.548117 0.0336436 0.482364} O1982 2974 0.0 -1 8 {} O 0.0 {0.548163 0.00571639 0.647599} O1983 2975 0.0 -1 8 {} O 0.0 {0.538132 0.00637025 0.661104} O1984 2976 0.0 -1 14 {} Si 0.0 {0.543286 0.00387061 0.698507} Si993 2977 0.0 -1 14 {} Si 0.0 {0.554139 0.00413639 0.943365} Si994 2978 0.0 -1 14 {} Si 0.0 {0.544645 0.0289224 0.772921} Si995 2979 0.0 -1 14 {} Si 0.0 {0.554754 0.0285588 0.860976} Si996 2980 0.0 -1 8 {} O 0.0 {0.544119 0.989754 0.720686} O1985 2981 0.0 -1 8 {} O 0.0 {0.555138 0.014566 0.890788} O1986 2982 0.0 -1 8 {} O 0.0 {0.544285 0.0140521 0.75196} O1987 2983 0.0 -1 8 {} O 0.0 {0.554049 0.0398634 0.909851} O1988 2984 0.0 -1 8 {} O 0.0 {0.560201 0.0302467 0.822825} O1989 2985 0.0 -1 8 {} O 0.0 {0.549986 0.030743 0.814282} O1990 2986 0.0 -1 8 {} O 0.0 {0.548286 0.00594602 0.972975} O1991 2987 0.0 -1 8 {} O 0.0 {0.53847 0.00735727 0.98187} O1992 2988 0.0 -1 14 {} Si 0.0 {0.544199 0.0579572 0.0190016} Si997 2989 0.0 -1 14 {} Si 0.0 {0.554205 0.0570889 0.27409} Si998 2990 0.0 -1 14 {} Si 0.0 {0.543919 0.0819495 0.106094} Si999 2991 0.0 -1 14 {} Si 0.0 {0.553778 0.0828707 0.190001} Si1000 2992 0.0 -1 8 {} O 0.0 {0.54434 0.0460034 0.0703808} O1993 2993 0.0 -1 8 {} O 0.0 {0.554332 0.0716309 0.242356} O1994 2994 0.0 -1 8 {} O 0.0 {0.543159 0.0714774 0.0526283} O1995 2995 0.0 -1 8 {} O 0.0 {0.552927 0.0959255 0.226733} O1996 2996 0.0 -1 8 {} O 0.0 {0.559019 0.0847186 0.151503} O1997 2997 0.0 -1 8 {} O 0.0 {0.549159 0.0798717 0.14126} O1998 2998 0.0 -1 8 {} O 0.0 {0.54864 0.05346 0.30299} O1999 2999 0.0 -1 8 {} O 0.0 {0.538363 0.0588359 0.311985} O2000 3000 0.0 -1 14 {} Si 0.0 {0.54366 0.0545802 0.347001} Si1001 3001 0.0 -1 14 {} Si 0.0 {0.554577 0.0562742 0.600936} Si1002 3002 0.0 -1 14 {} Si 0.0 {0.544546 0.0797769 0.435028} Si1003 3003 0.0 -1 14 {} Si 0.0 {0.554138 0.0820056 0.52247} Si1004 3004 0.0 -1 8 {} O 0.0 {0.542978 0.0417671 0.385834} O2001 3005 0.0 -1 8 {} O 0.0 {0.555052 0.0706764 0.570766} O2002 3006 0.0 -1 8 {} O 0.0 {0.544636 0.0656428 0.400186} O2003 3007 0.0 -1 8 {} O 0.0 {0.555006 0.0945294 0.562429} O2004 3008 0.0 -1 8 {} O 0.0 {0.558828 0.0839524 0.472566} O2005 3009 0.0 -1 8 {} O 0.0 {0.548894 0.0822107 0.483617} O2006 3010 0.0 -1 8 {} O 0.0 {0.548806 0.0565411 0.634591} O2007 3011 0.0 -1 8 {} O 0.0 {0.539114 0.056463 0.661473} O2008 3012 0.0 -1 14 {} Si 0.0 {0.544839 0.0531999 0.691183} Si1005 3013 0.0 -1 14 {} Si 0.0 {0.554503 0.0535622 0.941353} Si1006 3014 0.0 -1 14 {} Si 0.0 {0.545062 0.0777494 0.772907} Si1007 3015 0.0 -1 14 {} Si 0.0 {0.554698 0.0796441 0.85985} Si1008 3016 0.0 -1 8 {} O 0.0 {0.544978 0.038972 0.719018} O2009 3017 0.0 -1 8 {} O 0.0 {0.554621 0.0650291 0.88671} O2010 3018 0.0 -1 8 {} O 0.0 {0.545592 0.0631387 0.746851} O2011 3019 0.0 -1 8 {} O 0.0 {0.553797 0.0896531 0.918485} O2012 3020 0.0 -1 8 {} O 0.0 {0.560521 0.0828521 0.832599} O2013 3021 0.0 -1 8 {} O 0.0 {0.549977 0.0822379 0.811168} O2014 3022 0.0 -1 8 {} O 0.0 {0.549723 0.0578617 0.985445} O2015 3023 0.0 -1 8 {} O 0.0 {0.53965 0.0550137 0.969631} O2016 3024 0.0 -1 14 {} Si 0.0 {0.563369 0.959425 0.038797} Si1009 3025 0.0 -1 14 {} Si 0.0 {0.573903 0.954773 0.290797} Si1010 3026 0.0 -1 14 {} Si 0.0 {0.563654 0.984339 0.119285} Si1011 3027 0.0 -1 14 {} Si 0.0 {0.573489 0.978276 0.203329} Si1012 3028 0.0 -1 8 {} O 0.0 {0.564329 0.948077 0.0878553} O2017 3029 0.0 -1 8 {} O 0.0 {0.573036 0.964335 0.236511} O2018 3030 0.0 -1 8 {} O 0.0 {0.564312 0.974021 0.0633038} O2019 3031 0.0 -1 8 {} O 0.0 {0.57438 0.98949 0.252384} O2020 3032 0.0 -1 8 {} O 0.0 {0.578482 0.978997 0.157053} O2021 3033 0.0 -1 8 {} O 0.0 {0.567955 0.980527 0.170175} O2022 3034 0.0 -1 8 {} O 0.0 {0.568813 0.952419 0.329923} O2023 3035 0.0 -1 8 {} O 0.0 {0.558656 0.957468 0.326813} O2024 3036 0.0 -1 14 {} Si 0.0 {0.563812 0.958606 0.366463} Si1013 3037 0.0 -1 14 {} Si 0.0 {0.57326 0.955493 0.599778} Si1014 3038 0.0 -1 14 {} Si 0.0 {0.564499 0.98508 0.441534} Si1015 3039 0.0 -1 14 {} Si 0.0 {0.574136 0.981654 0.524895} Si1016 3040 0.0 -1 8 {} O 0.0 {0.563026 0.949611 0.433904} O2025 3041 0.0 -1 8 {} O 0.0 {0.573428 0.967522 0.555661} O2026 3042 0.0 -1 8 {} O 0.0 {0.565221 0.972493 0.398968} O2027 3043 0.0 -1 8 {} O 0.0 {0.575809 0.992036 0.573662} O2028 3044 0.0 -1 8 {} O 0.0 {0.579344 0.980495 0.481638} O2029 3045 0.0 -1 8 {} O 0.0 {0.568708 0.985646 0.495524} O2030 3046 0.0 -1 8 {} O 0.0 {0.567429 0.954365 0.632833} O2031 3047 0.0 -1 8 {} O 0.0 {0.55776 0.956269 0.65408} O2032 3048 0.0 -1 14 {} Si 0.0 {0.563416 0.95808 0.685108} Si1017 3049 0.0 -1 14 {} Si 0.0 {0.573109 0.95827 0.955021} Si1018 3050 0.0 -1 14 {} Si 0.0 {0.563672 0.983165 0.774107} Si1019 3051 0.0 -1 14 {} Si 0.0 {0.573693 0.981934 0.860903} Si1020 3052 0.0 -1 8 {} O 0.0 {0.563591 0.946278 0.736861} O2033 3053 0.0 -1 8 {} O 0.0 {0.573723 0.971175 0.91441} O2034 3054 0.0 -1 8 {} O 0.0 {0.563412 0.972005 0.71998} O2035 3055 0.0 -1 8 {} O 0.0 {0.574218 0.996158 0.88799} O2036 3056 0.0 -1 8 {} O 0.0 {0.578752 0.980518 0.815376} O2037 3057 0.0 -1 8 {} O 0.0 {0.568217 0.980258 0.82483} O2038 3058 0.0 -1 8 {} O 0.0 {0.567742 0.955885 0.98563} O2039 3059 0.0 -1 8 {} O 0.0 {0.557781 0.958258 0.00691876} O2040 3060 0.0 -1 14 {} Si 0.0 {0.564073 0.00759461 0.0310316} Si1021 3061 0.0 -1 14 {} Si 0.0 {0.574283 0.00418583 0.272744} Si1022 3062 0.0 -1 14 {} Si 0.0 {0.564777 0.0338784 0.0983666} Si1023 3063 0.0 -1 14 {} Si 0.0 {0.574637 0.0297068 0.188908} Si1024 3064 0.0 -1 8 {} O 0.0 {0.56416 0.998623 0.0897097} O2041 3065 0.0 -1 8 {} O 0.0 {0.575353 0.0158853 0.22059} O2042 3066 0.0 -1 8 {} O 0.0 {0.564856 0.0225431 0.050409} O2043 3067 0.0 -1 8 {} O 0.0 {0.575389 0.0414137 0.237474} O2044 3068 0.0 -1 8 {} O 0.0 {0.578979 0.0314192 0.136551} O2045 3069 0.0 -1 8 {} O 0.0 {0.568978 0.0308849 0.153494} O2046 3070 0.0 -1 8 {} O 0.0 {0.568897 0.00921792 0.298303} O2047 3071 0.0 -1 8 {} O 0.0 {0.558543 0.00646938 0.314899} O2048 3072 0.0 -1 14 {} Si 0.0 {0.56428 0.00864972 0.34865} Si1025 3073 0.0 -1 14 {} Si 0.0 {0.574617 0.00475916 0.615093} Si1026 3074 0.0 -1 14 {} Si 0.0 {0.56343 0.0313025 0.444293} Si1027 3075 0.0 -1 14 {} Si 0.0 {0.573564 0.0298531 0.527796} Si1028 3076 0.0 -1 8 {} O 0.0 {0.565426 0.99619 0.392073} O2049 3077 0.0 -1 8 {} O 0.0 {0.574638 0.0173793 0.569711} O2050 3078 0.0 -1 8 {} O 0.0 {0.564414 0.0222241 0.384428} O2051 3079 0.0 -1 8 {} O 0.0 {0.572674 0.0414851 0.575904} O2052 3080 0.0 -1 8 {} O 0.0 {0.578014 0.0340519 0.480574} O2053 3081 0.0 -1 8 {} O 0.0 {0.568216 0.0282184 0.488487} O2054 3082 0.0 -1 8 {} O 0.0 {0.569213 0.00376883 0.652333} O2055 3083 0.0 -1 8 {} O 0.0 {0.558778 0.00688104 0.649124} O2056 3084 0.0 -1 14 {} Si 0.0 {0.563825 0.00743474 0.689294} Si1029 3085 0.0 -1 14 {} Si 0.0 {0.57405 0.00724663 0.939355} Si1030 3086 0.0 -1 14 {} Si 0.0 {0.564798 0.0327419 0.773817} Si1031 3087 0.0 -1 14 {} Si 0.0 {0.574602 0.0325724 0.85723} Si1032 3088 0.0 -1 8 {} O 0.0 {0.563808 0.997036 0.743212} O2057 3089 0.0 -1 8 {} O 0.0 {0.574351 0.0214083 0.909121} O2058 3090 0.0 -1 8 {} O 0.0 {0.564579 0.0207191 0.721904} O2059 3091 0.0 -1 8 {} O 0.0 {0.573652 0.0456601 0.895677} O2060 3092 0.0 -1 8 {} O 0.0 {0.58056 0.0331652 0.828785} O2061 3093 0.0 -1 8 {} O 0.0 {0.570597 0.0311365 0.802496} O2062 3094 0.0 -1 8 {} O 0.0 {0.568634 0.00525679 0.979184} O2063 3095 0.0 -1 8 {} O 0.0 {0.558464 0.00503008 0.995538} O2064 3096 0.0 -1 14 {} Si 0.0 {0.564682 0.0593066 0.0238991} Si1033 3097 0.0 -1 14 {} Si 0.0 {0.573649 0.053652 0.276812} Si1034 3098 0.0 -1 14 {} Si 0.0 {0.564106 0.0829836 0.111005} Si1035 3099 0.0 -1 14 {} Si 0.0 {0.574287 0.0779378 0.193648} Si1036 3100 0.0 -1 8 {} O 0.0 {0.565683 0.0482181 0.0759036} O2065 3101 0.0 -1 8 {} O 0.0 {0.573022 0.0668302 0.242303} O2066 3102 0.0 -1 8 {} O 0.0 {0.563553 0.0730282 0.0546633} O2067 3103 0.0 -1 8 {} O 0.0 {0.574808 0.0922239 0.228851} O2068 3104 0.0 -1 8 {} O 0.0 {0.578787 0.0760194 0.14322} O2069 3105 0.0 -1 8 {} O 0.0 {0.569075 0.0807246 0.153038} O2070 3106 0.0 -1 8 {} O 0.0 {0.568362 0.0522095 0.314003} O2071 3107 0.0 -1 8 {} O 0.0 {0.558497 0.0561244 0.330618} O2072 3108 0.0 -1 14 {} Si 0.0 {0.56382 0.0569832 0.363894} Si1037 3109 0.0 -1 14 {} Si 0.0 {0.574123 0.0543459 0.609148} Si1038 3110 0.0 -1 14 {} Si 0.0 {0.564548 0.0822792 0.440277} Si1039 3111 0.0 -1 14 {} Si 0.0 {0.574814 0.0800759 0.525761} Si1040 3112 0.0 -1 8 {} O 0.0 {0.563867 0.04569 0.418044} O2073 3113 0.0 -1 8 {} O 0.0 {0.575192 0.0666331 0.562391} O2074 3114 0.0 -1 8 {} O 0.0 {0.564964 0.0714812 0.386504} O2075 3115 0.0 -1 8 {} O 0.0 {0.574423 0.0912848 0.574056} O2076 3116 0.0 -1 8 {} O 0.0 {0.579361 0.0834972 0.481841} O2077 3117 0.0 -1 8 {} O 0.0 {0.569143 0.0811339 0.492245} O2078 3118 0.0 -1 8 {} O 0.0 {0.569764 0.0595401 0.654607} O2079 3119 0.0 -1 8 {} O 0.0 {0.559389 0.0551011 0.649376} O2080 3120 0.0 -1 14 {} Si 0.0 {0.564406 0.058781 0.690224} Si1041 3121 0.0 -1 14 {} Si 0.0 {0.574895 0.0569555 0.942556} Si1042 3122 0.0 -1 14 {} Si 0.0 {0.564754 0.0820062 0.780583} Si1043 3123 0.0 -1 14 {} Si 0.0 {0.575546 0.080845 0.857025} Si1044 3124 0.0 -1 8 {} O 0.0 {0.564319 0.0462861 0.735567} O2081 3125 0.0 -1 8 {} O 0.0 {0.576959 0.0687654 0.898904} O2082 3126 0.0 -1 8 {} O 0.0 {0.563177 0.0708678 0.731238} O2083 3127 0.0 -1 8 {} O 0.0 {0.574592 0.092934 0.901566} O2084 3128 0.0 -1 8 {} O 0.0 {0.580071 0.0837918 0.807968} O2085 3129 0.0 -1 8 {} O 0.0 {0.570401 0.0794775 0.814646} O2086 3130 0.0 -1 8 {} O 0.0 {0.569673 0.061163 0.983835} O2087 3131 0.0 -1 8 {} O 0.0 {0.559838 0.0560107 0.976118} O2088 3132 0.0 -1 14 {} Si 0.0 {0.583858 0.955814 0.0269764} Si1045 3133 0.0 -1 14 {} Si 0.0 {0.593933 0.959135 0.277299} Si1046 3134 0.0 -1 14 {} Si 0.0 {0.583607 0.979151 0.115941} Si1047 3135 0.0 -1 14 {} Si 0.0 {0.593442 0.984587 0.200277} Si1048 3136 0.0 -1 8 {} O 0.0 {0.584609 0.941668 0.0544419} O2089 3137 0.0 -1 8 {} O 0.0 {0.593556 0.972628 0.244417} O2090 3138 0.0 -1 8 {} O 0.0 {0.5846 0.965413 0.0852616} O2091 3139 0.0 -1 8 {} O 0.0 {0.593817 0.997697 0.23862} O2092 3140 0.0 -1 8 {} O 0.0 {0.598899 0.982821 0.158876} O2093 3141 0.0 -1 8 {} O 0.0 {0.588661 0.983916 0.15407} O2094 3142 0.0 -1 8 {} O 0.0 {0.588388 0.954941 0.307072} O2095 3143 0.0 -1 8 {} O 0.0 {0.578879 0.958185 0.335046} O2096 3144 0.0 -1 14 {} Si 0.0 {0.584486 0.955909 0.365661} Si1049 3145 0.0 -1 14 {} Si 0.0 {0.593168 0.95641 0.610307} Si1050 3146 0.0 -1 14 {} Si 0.0 {0.584789 0.980594 0.445821} Si1051 3147 0.0 -1 14 {} Si 0.0 {0.594649 0.982263 0.533161} Si1052 3148 0.0 -1 8 {} O 0.0 {0.584842 0.941576 0.396392} O2097 3149 0.0 -1 8 {} O 0.0 {0.594318 0.968261 0.566113} O2098 3150 0.0 -1 8 {} O 0.0 {0.585525 0.966952 0.416738} O2099 3151 0.0 -1 8 {} O 0.0 {0.594977 0.992595 0.586656} O2100 3152 0.0 -1 8 {} O 0.0 {0.599097 0.981119 0.482243} O2101 3153 0.0 -1 8 {} O 0.0 {0.589412 0.983849 0.492797} O2102 3154 0.0 -1 8 {} O 0.0 {0.588017 0.954883 0.649416} O2103 3155 0.0 -1 8 {} O 0.0 {0.577524 0.955471 0.652701} O2104 3156 0.0 -1 14 {} Si 0.0 {0.582879 0.953238 0.689193} Si1053 3157 0.0 -1 14 {} Si 0.0 {0.593827 0.959996 0.942601} Si1054 3158 0.0 -1 14 {} Si 0.0 {0.584052 0.978534 0.773843} Si1055 3159 0.0 -1 14 {} Si 0.0 {0.593953 0.983682 0.856023} Si1056 3160 0.0 -1 8 {} O 0.0 {0.58239 0.93971 0.728747} O2105 3161 0.0 -1 8 {} O 0.0 {0.594391 0.973721 0.912797} O2106 3162 0.0 -1 8 {} O 0.0 {0.583005 0.963731 0.744504} O2107 3163 0.0 -1 8 {} O 0.0 {0.593536 0.997567 0.884132} O2108 3164 0.0 -1 8 {} O 0.0 {0.599235 0.981882 0.816048} O2109 3165 0.0 -1 8 {} O 0.0 {0.589204 0.979069 0.814768} O2110 3166 0.0 -1 8 {} O 0.0 {0.588405 0.958044 0.979179} O2111 3167 0.0 -1 8 {} O 0.0 {0.577785 0.957469 0.00342731} O2112 3168 0.0 -1 14 {} Si 0.0 {0.584198 0.0029816 0.0296581} Si1057 3169 0.0 -1 14 {} Si 0.0 {0.594062 0.0102103 0.286205} Si1058 3170 0.0 -1 14 {} Si 0.0 {0.584654 0.0289053 0.107449} Si1059 3171 0.0 -1 14 {} Si 0.0 {0.594138 0.0336906 0.197789} Si1060 3172 0.0 -1 8 {} O 0.0 {0.583241 0.989079 0.0574545} O2113 3173 0.0 -1 8 {} O 0.0 {0.593869 0.0244412 0.256225} O2114 3174 0.0 -1 8 {} O 0.0 {0.584357 0.0142177 0.0799423} O2115 3175 0.0 -1 8 {} O 0.0 {0.59366 0.0480554 0.222607} O2116 3176 0.0 -1 8 {} O 0.0 {0.599501 0.0315824 0.162429} O2117 3177 0.0 -1 8 {} O 0.0 {0.588688 0.0315116 0.161101} O2118 3178 0.0 -1 8 {} O 0.0 {0.588514 0.00885672 0.323533} O2119 3179 0.0 -1 8 {} O 0.0 {0.578319 0.00689003 0.330885} O2120 3180 0.0 -1 14 {} Si 0.0 {0.58374 0.00560497 0.368558} Si1061 3181 0.0 -1 14 {} Si 0.0 {0.594517 0.00667206 0.615168} Si1062 3182 0.0 -1 14 {} Si 0.0 {0.583584 0.0309253 0.44655} Si1063 3183 0.0 -1 14 {} Si 0.0 {0.593892 0.0307939 0.528149} Si1064 3184 0.0 -1 8 {} O 0.0 {0.584188 0.990713 0.389058} O2121 3185 0.0 -1 8 {} O 0.0 {0.594133 0.0165907 0.559134} O2122 3186 0.0 -1 8 {} O 0.0 {0.583747 0.0160665 0.425091} O2123 3187 0.0 -1 8 {} O 0.0 {0.594353 0.0404129 0.5848} O2124 3188 0.0 -1 8 {} O 0.0 {0.598658 0.0315683 0.481692} O2125 3189 0.0 -1 8 {} O 0.0 {0.588537 0.0335828 0.494} O2126 3190 0.0 -1 8 {} O 0.0 {0.589631 0.00685725 0.657328} O2127 3191 0.0 -1 8 {} O 0.0 {0.579168 0.00672774 0.663646} O2128 3192 0.0 -1 14 {} Si 0.0 {0.584505 0.00432564 0.701998} Si1065 3193 0.0 -1 14 {} Si 0.0 {0.594508 0.00735056 0.941992} Si1066 3194 0.0 -1 14 {} Si 0.0 {0.585064 0.0296351 0.780138} Si1067 3195 0.0 -1 14 {} Si 0.0 {0.595588 0.0327276 0.861199} Si1068 3196 0.0 -1 8 {} O 0.0 {0.584336 0.989366 0.72106} O2129 3197 0.0 -1 8 {} O 0.0 {0.595138 0.0219072 0.91296} O2130 3198 0.0 -1 8 {} O 0.0 {0.584591 0.0148625 0.757034} O2131 3199 0.0 -1 8 {} O 0.0 {0.596451 0.0465805 0.888264} O2132 3200 0.0 -1 8 {} O 0.0 {0.600518 0.0287307 0.818319} O2133 3201 0.0 -1 8 {} O 0.0 {0.590542 0.0315184 0.815596} O2134 3202 0.0 -1 8 {} O 0.0 {0.589431 0.00511032 0.989635} O2135 3203 0.0 -1 8 {} O 0.0 {0.579067 0.0045441 0.984779} O2136 3204 0.0 -1 14 {} Si 0.0 {0.585336 0.0528232 0.0231513} Si1069 3205 0.0 -1 14 {} Si 0.0 {0.593938 0.0586451 0.278642} Si1070 3206 0.0 -1 14 {} Si 0.0 {0.584457 0.0760023 0.112537} Si1071 3207 0.0 -1 14 {} Si 0.0 {0.594131 0.083243 0.198727} Si1072 3208 0.0 -1 8 {} O 0.0 {0.585518 0.0386133 0.0507029} O2137 3209 0.0 -1 8 {} O 0.0 {0.594034 0.0739985 0.255982} O2138 3210 0.0 -1 8 {} O 0.0 {0.585606 0.0626757 0.0800994} O2139 3211 0.0 -1 8 {} O 0.0 {0.594992 0.0974369 0.223192} O2140 3212 0.0 -1 8 {} O 0.0 {0.599396 0.0799147 0.162907} O2141 3213 0.0 -1 8 {} O 0.0 {0.588795 0.0828265 0.158167} O2142 3214 0.0 -1 8 {} O 0.0 {0.588776 0.0585334 0.319574} O2143 3215 0.0 -1 8 {} O 0.0 {0.578349 0.0560845 0.323805} O2144 3216 0.0 -1 14 {} Si 0.0 {0.583846 0.0546059 0.360848} Si1073 3217 0.0 -1 14 {} Si 0.0 {0.594959 0.0546036 0.613094} Si1074 3218 0.0 -1 14 {} Si 0.0 {0.584603 0.0785027 0.444379} Si1075 3219 0.0 -1 14 {} Si 0.0 {0.594318 0.0793744 0.527805} Si1076 3220 0.0 -1 8 {} O 0.0 {0.584235 0.0397803 0.38741} O2145 3221 0.0 -1 8 {} O 0.0 {0.594811 0.0651633 0.559811} O2146 3222 0.0 -1 8 {} O 0.0 {0.583673 0.0641625 0.41893} O2147 3223 0.0 -1 8 {} O 0.0 {0.593913 0.0891439 0.584813} O2148 3224 0.0 -1 8 {} O 0.0 {0.600048 0.0833914 0.494469} O2149 3225 0.0 -1 8 {} O 0.0 {0.589837 0.0819197 0.480235} O2150 3226 0.0 -1 8 {} O 0.0 {0.589695 0.0576922 0.654755} O2151 3227 0.0 -1 8 {} O 0.0 {0.579596 0.0529949 0.646013} O2152 3228 0.0 -1 14 {} Si 0.0 {0.584634 0.0527024 0.690267} Si1077 3229 0.0 -1 14 {} Si 0.0 {0.595492 0.0573596 0.942727} Si1078 3230 0.0 -1 14 {} Si 0.0 {0.584966 0.0771757 0.770383} Si1079 3231 0.0 -1 14 {} Si 0.0 {0.594733 0.0816813 0.859275} Si1080 3232 0.0 -1 8 {} O 0.0 {0.584437 0.0387698 0.721546} O2153 3233 0.0 -1 8 {} O 0.0 {0.595994 0.0709072 0.912219} O2154 3234 0.0 -1 8 {} O 0.0 {0.583899 0.0634227 0.740852} O2155 3235 0.0 -1 8 {} O 0.0 {0.593099 0.0947782 0.893836} O2156 3236 0.0 -1 8 {} O 0.0 {0.599814 0.0855254 0.821974} O2157 3237 0.0 -1 8 {} O 0.0 {0.590006 0.0777062 0.814261} O2158 3238 0.0 -1 8 {} O 0.0 {0.589967 0.0544764 0.974657} O2159 3239 0.0 -1 8 {} O 0.0 {0.579796 0.0550633 0.990118} O2160 3240 0.0 -1 14 {} Si 0.0 {0.60334 0.95844 0.0319958} Si1081 3241 0.0 -1 14 {} Si 0.0 {0.614661 0.954822 0.296474} Si1082 3242 0.0 -1 14 {} Si 0.0 {0.603981 0.983118 0.113188} Si1083 3243 0.0 -1 14 {} Si 0.0 {0.613716 0.978521 0.199749} Si1084 3244 0.0 -1 8 {} O 0.0 {0.602136 0.949554 0.0919639} O2161 3245 0.0 -1 8 {} O 0.0 {0.614231 0.964505 0.235029} O2162 3246 0.0 -1 8 {} O 0.0 {0.603219 0.972793 0.0586195} O2163 3247 0.0 -1 8 {} O 0.0 {0.612171 0.989762 0.250133} O2164 3248 0.0 -1 8 {} O 0.0 {0.619089 0.980821 0.161175} O2165 3249 0.0 -1 8 {} O 0.0 {0.608858 0.97914 0.152497} O2166 3250 0.0 -1 8 {} O 0.0 {0.608957 0.952198 0.330316} O2167 3251 0.0 -1 8 {} O 0.0 {0.598449 0.95859 0.329563} O2168 3252 0.0 -1 14 {} Si 0.0 {0.604078 0.957914 0.366118} Si1085 3253 0.0 -1 14 {} Si 0.0 {0.614089 0.957302 0.62741} Si1086 3254 0.0 -1 14 {} Si 0.0 {0.604557 0.983374 0.442886} Si1087 3255 0.0 -1 14 {} Si 0.0 {0.614668 0.981335 0.532553} Si1088 3256 0.0 -1 8 {} O 0.0 {0.602987 0.94862 0.423266} O2169 3257 0.0 -1 8 {} O 0.0 {0.613735 0.970213 0.582385} O2170 3258 0.0 -1 8 {} O 0.0 {0.605252 0.972671 0.391015} O2171 3259 0.0 -1 8 {} O 0.0 {0.61525 0.995816 0.56367} O2172 3260 0.0 -1 8 {} O 0.0 {0.619529 0.977552 0.493225} O2173 3261 0.0 -1 8 {} O 0.0 {0.60952 0.982065 0.490847} O2174 3262 0.0 -1 8 {} O 0.0 {0.609109 0.953955 0.669967} O2175 3263 0.0 -1 8 {} O 0.0 {0.598384 0.956096 0.659434} O2176 3264 0.0 -1 14 {} Si 0.0 {0.603722 0.958842 0.701947} Si1089 3265 0.0 -1 14 {} Si 0.0 {0.613712 0.956167 0.959553} Si1090 3266 0.0 -1 14 {} Si 0.0 {0.604537 0.984439 0.776843} Si1091 3267 0.0 -1 14 {} Si 0.0 {0.614058 0.979611 0.868451} Si1092 3268 0.0 -1 8 {} O 0.0 {0.602307 0.952157 0.767273} O2177 3269 0.0 -1 8 {} O 0.0 {0.612601 0.967651 0.910306} O2178 3270 0.0 -1 8 {} O 0.0 {0.604555 0.973668 0.720925} O2179 3271 0.0 -1 8 {} O 0.0 {0.61549 0.991407 0.911448} O2180 3272 0.0 -1 8 {} O 0.0 {0.618952 0.976765 0.825075} O2181 3273 0.0 -1 8 {} O 0.0 {0.609501 0.982873 0.819512} O2182 3274 0.0 -1 8 {} O 0.0 {0.609171 0.953941 0.0103688} O2183 3275 0.0 -1 8 {} O 0.0 {0.599077 0.955453 0.981156} O2184 3276 0.0 -1 14 {} Si 0.0 {0.60468 0.00793117 0.025527} Si1093 3277 0.0 -1 14 {} Si 0.0 {0.614274 0.00284601 0.281404} Si1094 3278 0.0 -1 14 {} Si 0.0 {0.604442 0.0315526 0.112739} Si1095 3279 0.0 -1 14 {} Si 0.0 {0.614264 0.0282625 0.198594} Si1096 3280 0.0 -1 8 {} O 0.0 {0.60462 0.997464 0.0815899} O2185 3281 0.0 -1 8 {} O 0.0 {0.614618 0.0142374 0.226954} O2186 3282 0.0 -1 8 {} O 0.0 {0.603506 0.0216166 0.0559828} O2187 3283 0.0 -1 8 {} O 0.0 {0.614035 0.0385093 0.253239} O2188 3284 0.0 -1 8 {} O 0.0 {0.619505 0.0298562 0.159116} O2189 3285 0.0 -1 8 {} O 0.0 {0.609774 0.0287201 0.150109} O2190 3286 0.0 -1 8 {} O 0.0 {0.610469 0.0064016 0.336578} O2191 3287 0.0 -1 8 {} O 0.0 {0.59922 0.00649435 0.322952} O2192 3288 0.0 -1 14 {} Si 0.0 {0.604661 0.0081033 0.363008} Si1097 3289 0.0 -1 14 {} Si 0.0 {0.614428 0.0078091 0.607504} Si1098 3290 0.0 -1 14 {} Si 0.0 {0.60436 0.0335018 0.449243} Si1099 3291 0.0 -1 14 {} Si 0.0 {0.614441 0.0332669 0.527382} Si1100 3292 0.0 -1 8 {} O 0.0 {0.604542 0.997734 0.418172} O2193 3293 0.0 -1 8 {} O 0.0 {0.615172 0.0214333 0.570642} O2194 3294 0.0 -1 8 {} O 0.0 {0.604568 0.0226106 0.395553} O2195 3295 0.0 -1 8 {} O 0.0 {0.614684 0.045819 0.568118} O2196 3296 0.0 -1 8 {} O 0.0 {0.618654 0.0322407 0.473962} O2197 3297 0.0 -1 8 {} O 0.0 {0.608694 0.0329639 0.500893} O2198 3298 0.0 -1 8 {} O 0.0 {0.608774 0.006013 0.63589} O2199 3299 0.0 -1 8 {} O 0.0 {0.599272 0.0101292 0.660366} O2200 3300 0.0 -1 14 {} Si 0.0 {0.604915 0.00946843 0.692412} Si1101 3301 0.0 -1 14 {} Si 0.0 {0.614829 0.00541804 0.944503} Si1102 3302 0.0 -1 14 {} Si 0.0 {0.605155 0.0332177 0.776317} Si1103 3303 0.0 -1 14 {} Si 0.0 {0.61547 0.0294177 0.85893} Si1104 3304 0.0 -1 8 {} O 0.0 {0.60503 0.998482 0.745351} O2201 3305 0.0 -1 8 {} O 0.0 {0.614113 0.0160044 0.893496} O2202 3306 0.0 -1 8 {} O 0.0 {0.606385 0.0230649 0.720428} O2203 3307 0.0 -1 8 {} O 0.0 {0.615085 0.03998 0.916046} O2204 3308 0.0 -1 8 {} O 0.0 {0.620876 0.0302809 0.820744} O2205 3309 0.0 -1 8 {} O 0.0 {0.6107 0.0333223 0.811588} O2206 3310 0.0 -1 8 {} O 0.0 {0.610011 0.00545204 0.992459} O2207 3311 0.0 -1 8 {} O 0.0 {0.599898 0.00450907 0.978575} O2208 3312 0.0 -1 14 {} Si 0.0 {0.605127 0.056975 0.0394804} Si1105 3313 0.0 -1 14 {} Si 0.0 {0.614031 0.0528952 0.278971} Si1106 3314 0.0 -1 14 {} Si 0.0 {0.604516 0.0817559 0.118847} Si1107 3315 0.0 -1 14 {} Si 0.0 {0.614291 0.0780369 0.202192} Si1108 3316 0.0 -1 8 {} O 0.0 {0.604299 0.0464087 0.091238} O2209 3317 0.0 -1 8 {} O 0.0 {0.613523 0.0631702 0.224337} O2210 3318 0.0 -1 8 {} O 0.0 {0.605128 0.0717094 0.0619554} O2211 3319 0.0 -1 8 {} O 0.0 {0.615684 0.0859141 0.264106} O2212 3320 0.0 -1 8 {} O 0.0 {0.620007 0.0806142 0.170382} O2213 3321 0.0 -1 8 {} O 0.0 {0.60967 0.0833188 0.158189} O2214 3322 0.0 -1 8 {} O 0.0 {0.60895 0.0553161 0.321655} O2215 3323 0.0 -1 8 {} O 0.0 {0.598747 0.0548667 0.317977} O2216 3324 0.0 -1 14 {} Si 0.0 {0.603732 0.0578441 0.36001} Si1109 3325 0.0 -1 14 {} Si 0.0 {0.614975 0.0580458 0.619133} Si1110 3326 0.0 -1 14 {} Si 0.0 {0.605108 0.0808559 0.449281} Si1111 3327 0.0 -1 14 {} Si 0.0 {0.615084 0.081641 0.530324} Si1112 3328 0.0 -1 8 {} O 0.0 {0.6038 0.0467755 0.413064} O2217 3329 0.0 -1 8 {} O 0.0 {0.61533 0.071633 0.585504} O2218 3330 0.0 -1 8 {} O 0.0 {0.603983 0.0711543 0.39339} O2219 3331 0.0 -1 8 {} O 0.0 {0.613354 0.0957921 0.55351} O2220 3332 0.0 -1 8 {} O 0.0 {0.620183 0.0822868 0.492232} O2221 3333 0.0 -1 8 {} O 0.0 {0.610293 0.0763638 0.485369} O2222 3334 0.0 -1 8 {} O 0.0 {0.609916 0.0572965 0.662865} O2223 3335 0.0 -1 8 {} O 0.0 {0.599924 0.0550476 0.659358} O2224 3336 0.0 -1 14 {} Si 0.0 {0.604738 0.0586167 0.702906} Si1113 3337 0.0 -1 14 {} Si 0.0 {0.614535 0.0532098 0.952253} Si1114 3338 0.0 -1 14 {} Si 0.0 {0.604996 0.0829711 0.784333} Si1115 3339 0.0 -1 14 {} Si 0.0 {0.615278 0.0778756 0.863162} Si1116 3340 0.0 -1 8 {} O 0.0 {0.604735 0.048288 0.758155} O2225 3341 0.0 -1 8 {} O 0.0 {0.614922 0.0652835 0.905369} O2226 3342 0.0 -1 8 {} O 0.0 {0.604403 0.0729009 0.729286} O2227 3343 0.0 -1 8 {} O 0.0 {0.616039 0.0906787 0.906693} O2228 3344 0.0 -1 8 {} O 0.0 {0.620351 0.0784138 0.821506} O2229 3345 0.0 -1 8 {} O 0.0 {0.610218 0.0800202 0.824825} O2230 3346 0.0 -1 8 {} O 0.0 {0.609107 0.0536732 0.986182} O2231 3347 0.0 -1 8 {} O 0.0 {0.599428 0.056793 0.999145} O2232 3348 0.0 -1 14 {} Si 0.0 {0.624934 0.957563 0.0273965} Si1117 3349 0.0 -1 14 {} Si 0.0 {0.634316 0.95907 0.27201} Si1118 3350 0.0 -1 14 {} Si 0.0 {0.624383 0.983095 0.116594} Si1119 3351 0.0 -1 14 {} Si 0.0 {0.634493 0.984241 0.194513} Si1120 3352 0.0 -1 8 {} O 0.0 {0.624615 0.946674 0.0770658} O2233 3353 0.0 -1 8 {} O 0.0 {0.633305 0.972901 0.24026} O2234 3354 0.0 -1 8 {} O 0.0 {0.62495 0.97102 0.068102} O2235 3355 0.0 -1 8 {} O 0.0 {0.635339 0.997454 0.231949} O2236 3356 0.0 -1 8 {} O 0.0 {0.640053 0.981102 0.160009} O2237 3357 0.0 -1 8 {} O 0.0 {0.629744 0.984873 0.15022} O2238 3358 0.0 -1 8 {} O 0.0 {0.629206 0.954935 0.311256} O2239 3359 0.0 -1 8 {} O 0.0 {0.619304 0.958114 0.343718} O2240 3360 0.0 -1 14 {} Si 0.0 {0.625207 0.956773 0.366049} Si1121 3361 0.0 -1 14 {} Si 0.0 {0.634983 0.955603 0.616776} Si1122 3362 0.0 -1 14 {} Si 0.0 {0.624879 0.980189 0.457817} Si1123 3363 0.0 -1 14 {} Si 0.0 {0.635226 0.979745 0.534111} Si1124 3364 0.0 -1 8 {} O 0.0 {0.625004 0.943758 0.403264} O2241 3365 0.0 -1 8 {} O 0.0 {0.635954 0.966038 0.564675} O2242 3366 0.0 -1 8 {} O 0.0 {0.626326 0.968972 0.411676} O2243 3367 0.0 -1 8 {} O 0.0 {0.635691 0.991317 0.582987} O2244 3368 0.0 -1 8 {} O 0.0 {0.63981 0.98094 0.484202} O2245 3369 0.0 -1 8 {} O 0.0 {0.629643 0.981395 0.503425} O2246 3370 0.0 -1 8 {} O 0.0 {0.629113 0.957934 0.641052} O2247 3371 0.0 -1 8 {} O 0.0 {0.619049 0.956655 0.670593} O2248 3372 0.0 -1 14 {} Si 0.0 {0.624902 0.956515 0.694352} Si1125 3373 0.0 -1 14 {} Si 0.0 {0.634249 0.956157 0.935503} Si1126 3374 0.0 -1 14 {} Si 0.0 {0.624134 0.979531 0.785249} Si1127 3375 0.0 -1 14 {} Si 0.0 {0.634326 0.983359 0.866871} Si1128 3376 0.0 -1 8 {} O 0.0 {0.625965 0.942066 0.729717} O2249 3377 0.0 -1 8 {} O 0.0 {0.633564 0.970966 0.914215} O2250 3378 0.0 -1 8 {} O 0.0 {0.625639 0.965493 0.757157} O2251 3379 0.0 -1 8 {} O 0.0 {0.634976 0.996961 0.903087} O2252 3380 0.0 -1 8 {} O 0.0 {0.639029 0.980465 0.82159} O2253 3381 0.0 -1 8 {} O 0.0 {0.62885 0.984356 0.825813} O2254 3382 0.0 -1 8 {} O 0.0 {0.629508 0.95247 0.981805} O2255 3383 0.0 -1 8 {} O 0.0 {0.619403 0.958073 0.990002} O2256 3384 0.0 -1 14 {} Si 0.0 {0.624739 0.00760534 0.0344275} Si1129 3385 0.0 -1 14 {} Si 0.0 {0.634888 0.00763293 0.289138} Si1130 3386 0.0 -1 14 {} Si 0.0 {0.624788 0.0331343 0.12097} Si1131 3387 0.0 -1 14 {} Si 0.0 {0.634657 0.0318482 0.206769} Si1132 3388 0.0 -1 8 {} O 0.0 {0.623036 0.996172 0.0813651} O2257 3389 0.0 -1 8 {} O 0.0 {0.634901 0.0219813 0.265456} O2258 3390 0.0 -1 8 {} O 0.0 {0.62481 0.0209923 0.0715318} O2259 3391 0.0 -1 8 {} O 0.0 {0.635459 0.04722 0.225812} O2260 3392 0.0 -1 8 {} O 0.0 {0.639226 0.0278663 0.160845} O2261 3393 0.0 -1 8 {} O 0.0 {0.629461 0.0307836 0.170034} O2262 3394 0.0 -1 8 {} O 0.0 {0.629533 0.00382874 0.324128} O2263 3395 0.0 -1 8 {} O 0.0 {0.619902 0.000142607 0.311598} O2264 3396 0.0 -1 14 {} Si 0.0 {0.624374 0.00377924 0.363437} Si1133 3397 0.0 -1 14 {} Si 0.0 {0.633839 0.00380919 0.619836} Si1134 3398 0.0 -1 14 {} Si 0.0 {0.623996 0.0296229 0.434127} Si1135 3399 0.0 -1 14 {} Si 0.0 {0.633907 0.0267729 0.523061} Si1136 3400 0.0 -1 8 {} O 0.0 {0.624193 0.99335 0.418221} O2265 3401 0.0 -1 8 {} O 0.0 {0.633487 0.0163081 0.578024} O2266 3402 0.0 -1 8 {} O 0.0 {0.622692 0.017068 0.397176} O2267 3403 0.0 -1 8 {} O 0.0 {0.633219 0.0414414 0.547247} O2268 3404 0.0 -1 8 {} O 0.0 {0.639676 0.0259198 0.492624} O2269 3405 0.0 -1 8 {} O 0.0 {0.628692 0.025796 0.480491} O2270 3406 0.0 -1 8 {} O 0.0 {0.628315 0.00104884 0.649313} O2271 3407 0.0 -1 8 {} O 0.0 {0.618453 0.00752692 0.665855} O2272 3408 0.0 -1 14 {} Si 0.0 {0.623694 0.00259694 0.69678} Si1137 3409 0.0 -1 14 {} Si 0.0 {0.634812 0.00778882 0.956358} Si1138 3410 0.0 -1 14 {} Si 0.0 {0.625684 0.0272625 0.779169} Si1139 3411 0.0 -1 14 {} Si 0.0 {0.635357 0.0303306 0.864271} Si1140 3412 0.0 -1 8 {} O 0.0 {0.623035 0.988508 0.726992} O2273 3413 0.0 -1 8 {} O 0.0 {0.634608 0.020848 0.919733} O2274 3414 0.0 -1 8 {} O 0.0 {0.625105 0.0130127 0.749739} O2275 3415 0.0 -1 8 {} O 0.0 {0.635992 0.0448051 0.894484} O2276 3416 0.0 -1 8 {} O 0.0 {0.64056 0.0287724 0.828276} O2277 3417 0.0 -1 8 {} O 0.0 {0.630797 0.0305033 0.815147} O2278 3418 0.0 -1 8 {} O 0.0 {0.630119 0.0053428 0.00376376} O2279 3419 0.0 -1 8 {} O 0.0 {0.620346 0.00754146 0.979137} O2280 3420 0.0 -1 14 {} Si 0.0 {0.624919 0.0573573 0.0300075} Si1141 3421 0.0 -1 14 {} Si 0.0 {0.635118 0.0582705 0.278471} Si1142 3422 0.0 -1 14 {} Si 0.0 {0.624857 0.0803844 0.122332} Si1143 3423 0.0 -1 14 {} Si 0.0 {0.635562 0.0826237 0.19541} Si1144 3424 0.0 -1 8 {} O 0.0 {0.625165 0.0463301 0.0833876} O2281 3425 0.0 -1 8 {} O 0.0 {0.636427 0.072188 0.250037} O2282 3426 0.0 -1 8 {} O 0.0 {0.624764 0.0707904 0.0623874} O2283 3427 0.0 -1 8 {} O 0.0 {0.633873 0.0957663 0.231021} O2284 3428 0.0 -1 8 {} O 0.0 {0.640165 0.0851347 0.144052} O2285 3429 0.0 -1 8 {} O 0.0 {0.62998 0.0785245 0.165078} O2286 3430 0.0 -1 8 {} O 0.0 {0.629437 0.0578642 0.312002} O2287 3431 0.0 -1 8 {} O 0.0 {0.619792 0.0550404 0.309535} O2288 3432 0.0 -1 14 {} Si 0.0 {0.624599 0.0545503 0.354329} Si1145 3433 0.0 -1 14 {} Si 0.0 {0.634133 0.0526294 0.596201} Si1146 3434 0.0 -1 14 {} Si 0.0 {0.624869 0.0788704 0.438559} Si1147 3435 0.0 -1 14 {} Si 0.0 {0.635202 0.0785101 0.514074} Si1148 3436 0.0 -1 8 {} O 0.0 {0.625768 0.0407563 0.388263} O2289 3437 0.0 -1 8 {} O 0.0 {0.634712 0.0661711 0.560664} O2290 3438 0.0 -1 8 {} O 0.0 {0.624241 0.0654862 0.406269} O2291 3439 0.0 -1 8 {} O 0.0 {0.635599 0.0901571 0.565335} O2292 3440 0.0 -1 8 {} O 0.0 {0.640457 0.079169 0.476369} O2293 3441 0.0 -1 8 {} O 0.0 {0.630294 0.0803433 0.470959} O2294 3442 0.0 -1 8 {} O 0.0 {0.630079 0.05344 0.652205} O2295 3443 0.0 -1 8 {} O 0.0 {0.619907 0.0565003 0.660173} O2296 3444 0.0 -1 14 {} Si 0.0 {0.624939 0.0519479 0.698536} Si1149 3445 0.0 -1 14 {} Si 0.0 {0.635083 0.0555799 0.946532} Si1150 3446 0.0 -1 14 {} Si 0.0 {0.62541 0.0760261 0.782703} Si1151 3447 0.0 -1 14 {} Si 0.0 {0.635786 0.0797412 0.861914} Si1152 3448 0.0 -1 8 {} O 0.0 {0.625259 0.0367714 0.721257} O2297 3449 0.0 -1 8 {} O 0.0 {0.635183 0.069748 0.916593} O2298 3450 0.0 -1 8 {} O 0.0 {0.625742 0.0615514 0.756799} O2299 3451 0.0 -1 8 {} O 0.0 {0.635389 0.100282 0.893471} O2300 3452 0.0 -1 8 {} O 0.0 {0.640161 0.0745878 0.814715} O2301 3453 0.0 -1 8 {} O 0.0 {0.630567 0.0763427 0.823315} O2302 3454 0.0 -1 8 {} O 0.0 {0.629674 0.054253 0.98361} O2303 3455 0.0 -1 8 {} O 0.0 {0.619233 0.0558732 0.000857904} O2304 3456 0.0 -1 14 {} Si 0.0 {0.643982 0.95364 0.0238181} Si1153 3457 0.0 -1 14 {} Si 0.0 {0.654788 0.956255 0.27479} Si1154 3458 0.0 -1 14 {} Si 0.0 {0.644434 0.977251 0.112833} Si1155 3459 0.0 -1 14 {} Si 0.0 {0.655258 0.980029 0.1879} Si1156 3460 0.0 -1 8 {} O 0.0 {0.644433 0.939801 0.0559808} O2305 3461 0.0 -1 8 {} O 0.0 {0.656547 0.969033 0.234285} O2306 3462 0.0 -1 8 {} O 0.0 {0.643287 0.962881 0.0810554} O2307 3463 0.0 -1 8 {} O 0.0 {0.65475 0.993365 0.226472} O2308 3464 0.0 -1 8 {} O 0.0 {0.659756 0.980117 0.13937} O2309 3465 0.0 -1 8 {} O 0.0 {0.649856 0.976665 0.153776} O2310 3466 0.0 -1 8 {} O 0.0 {0.649022 0.956408 0.302976} O2311 3467 0.0 -1 8 {} O 0.0 {0.639059 0.95789 0.319786} O2312 3468 0.0 -1 14 {} Si 0.0 {0.644681 0.955124 0.352046} Si1157 3469 0.0 -1 14 {} Si 0.0 {0.654326 0.95603 0.623132} Si1158 3470 0.0 -1 14 {} Si 0.0 {0.644965 0.978051 0.444061} Si1159 3471 0.0 -1 14 {} Si 0.0 {0.65493 0.980115 0.532495} Si1160 3472 0.0 -1 8 {} O 0.0 {0.644796 0.940678 0.374001} O2313 3473 0.0 -1 8 {} O 0.0 {0.655457 0.967324 0.57553} O2314 3474 0.0 -1 8 {} O 0.0 {0.645129 0.964412 0.412167} O2315 3475 0.0 -1 8 {} O 0.0 {0.654367 0.992431 0.577474} O2316 3476 0.0 -1 8 {} O 0.0 {0.659868 0.980897 0.486895} O2317 3477 0.0 -1 8 {} O 0.0 {0.649713 0.977905 0.493087} O2318 3478 0.0 -1 8 {} O 0.0 {0.648673 0.956883 0.649747} O2319 3479 0.0 -1 8 {} O 0.0 {0.638908 0.956945 0.674183} O2320 3480 0.0 -1 14 {} Si 0.0 {0.644549 0.958962 0.705065} Si1161 3481 0.0 -1 14 {} Si 0.0 {0.65475 0.954706 0.95871} Si1162 3482 0.0 -1 14 {} Si 0.0 {0.644532 0.983487 0.792211} Si1163 3483 0.0 -1 14 {} Si 0.0 {0.654562 0.978757 0.873727} Si1164 3484 0.0 -1 8 {} O 0.0 {0.645603 0.948508 0.758326} O2321 3485 0.0 -1 8 {} O 0.0 {0.654932 0.963938 0.898147} O2322 3486 0.0 -1 8 {} O 0.0 {0.645381 0.973303 0.733996} O2323 3487 0.0 -1 8 {} O 0.0 {0.656045 0.990251 0.920602} O2324 3488 0.0 -1 8 {} O 0.0 {0.658834 0.981199 0.817268} O2325 3489 0.0 -1 8 {} O 0.0 {0.648565 0.981077 0.846705} O2326 3490 0.0 -1 8 {} O 0.0 {0.649632 0.958104 0.994792} O2327 3491 0.0 -1 8 {} O 0.0 {0.639516 0.95389 0.97005} O2328 3492 0.0 -1 14 {} Si 0.0 {0.645372 0.00245194 0.0360001} Si1165 3493 0.0 -1 14 {} Si 0.0 {0.6545 0.00523021 0.273856} Si1166 3494 0.0 -1 14 {} Si 0.0 {0.644181 0.0278519 0.116791} Si1167 3495 0.0 -1 14 {} Si 0.0 {0.65492 0.0297552 0.193439} Si1168 3496 0.0 -1 8 {} O 0.0 {0.645277 0.988185 0.0632492} O2329 3497 0.0 -1 8 {} O 0.0 {0.655664 0.0187204 0.241907} O2330 3498 0.0 -1 8 {} O 0.0 {0.644874 0.0139569 0.0872808} O2331 3499 0.0 -1 8 {} O 0.0 {0.655239 0.043425 0.222305} O2332 3500 0.0 -1 8 {} O 0.0 {0.659503 0.0290531 0.143565} O2333 3501 0.0 -1 8 {} O 0.0 {0.649097 0.0281158 0.163168} O2334 3502 0.0 -1 8 {} O 0.0 {0.649025 0.00618654 0.308557} O2335 3503 0.0 -1 8 {} O 0.0 {0.639402 0.0060605 0.340905} O2336 3504 0.0 -1 14 {} Si 0.0 {0.64517 0.00292158 0.366938} Si1169 3505 0.0 -1 14 {} Si 0.0 {0.654052 0.00489562 0.622572} Si1170 3506 0.0 -1 14 {} Si 0.0 {0.644796 0.0265224 0.452587} Si1171 3507 0.0 -1 14 {} Si 0.0 {0.654942 0.0302082 0.537508} Si1172 3508 0.0 -1 8 {} O 0.0 {0.645959 0.988999 0.395305} O2337 3509 0.0 -1 8 {} O 0.0 {0.654178 0.0182134 0.587038} O2338 3510 0.0 -1 8 {} O 0.0 {0.646482 0.0129131 0.421113} O2339 3511 0.0 -1 8 {} O 0.0 {0.656472 0.0432742 0.572617} O2340 3512 0.0 -1 8 {} O 0.0 {0.659598 0.0279174 0.487677} O2341 3513 0.0 -1 8 {} O 0.0 {0.649299 0.0310894 0.50261} O2342 3514 0.0 -1 8 {} O 0.0 {0.648733 0.0036045 0.656978} O2343 3515 0.0 -1 8 {} O 0.0 {0.638427 0.00707315 0.669626} O2344 3516 0.0 -1 14 {} Si 0.0 {0.644061 0.00717355 0.701097} Si1173 3517 0.0 -1 14 {} Si 0.0 {0.655475 0.00410254 0.946987} Si1174 3518 0.0 -1 14 {} Si 0.0 {0.645347 0.0327316 0.780742} Si1175 3519 0.0 -1 14 {} Si 0.0 {0.655043 0.0288911 0.86879} Si1176 3520 0.0 -1 8 {} O 0.0 {0.644339 0.997436 0.757429} O2345 3521 0.0 -1 8 {} O 0.0 {0.654475 0.0138529 0.893652} O2346 3522 0.0 -1 8 {} O 0.0 {0.645012 0.0215342 0.728445} O2347 3523 0.0 -1 8 {} O 0.0 {0.654049 0.0387183 0.926029} O2348 3524 0.0 -1 8 {} O 0.0 {0.661136 0.0288395 0.845252} O2349 3525 0.0 -1 8 {} O 0.0 {0.650701 0.0319265 0.815976} O2350 3526 0.0 -1 8 {} O 0.0 {0.650299 0.00432395 0.992976} O2351 3527 0.0 -1 8 {} O 0.0 {0.639993 0.00592878 0.992773} O2352 3528 0.0 -1 14 {} Si 0.0 {0.644599 0.053338 0.0418803} Si1177 3529 0.0 -1 14 {} Si 0.0 {0.653823 0.0535436 0.277486} Si1178 3530 0.0 -1 14 {} Si 0.0 {0.645585 0.0802094 0.109436} Si1179 3531 0.0 -1 14 {} Si 0.0 {0.654307 0.0793495 0.208317} Si1180 3532 0.0 -1 8 {} O 0.0 {0.643678 0.0395802 0.0697933} O2353 3533 0.0 -1 8 {} O 0.0 {0.652543 0.0681016 0.254083} O2354 3534 0.0 -1 8 {} O 0.0 {0.644983 0.0651531 0.0890337} O2355 3535 0.0 -1 8 {} O 0.0 {0.654749 0.0913576 0.255407} O2356 3536 0.0 -1 8 {} O 0.0 {0.659843 0.0760348 0.175831} O2357 3537 0.0 -1 8 {} O 0.0 {0.650125 0.0837961 0.157422} O2358 3538 0.0 -1 8 {} O 0.0 {0.649111 0.048978 0.318523} O2359 3539 0.0 -1 8 {} O 0.0 {0.639564 0.0546857 0.325021} O2360 3540 0.0 -1 14 {} Si 0.0 {0.644631 0.0513593 0.368028} Si1181 3541 0.0 -1 14 {} Si 0.0 {0.655426 0.0548209 0.618964} Si1182 3542 0.0 -1 14 {} Si 0.0 {0.645972 0.0766278 0.44163} Si1183 3543 0.0 -1 14 {} Si 0.0 {0.655785 0.0800751 0.531474} Si1184 3544 0.0 -1 8 {} O 0.0 {0.643818 0.037938 0.404136} O2361 3545 0.0 -1 8 {} O 0.0 {0.655511 0.0684992 0.588833} O2362 3546 0.0 -1 8 {} O 0.0 {0.646049 0.0630048 0.412097} O2363 3547 0.0 -1 8 {} O 0.0 {0.655475 0.0942588 0.562184} O2364 3548 0.0 -1 8 {} O 0.0 {0.66131 0.0790531 0.503621} O2365 3549 0.0 -1 8 {} O 0.0 {0.651172 0.0795091 0.484282} O2366 3550 0.0 -1 8 {} O 0.0 {0.649641 0.0521504 0.639287} O2367 3551 0.0 -1 8 {} O 0.0 {0.639294 0.0512411 0.63521} O2368 3552 0.0 -1 14 {} Si 0.0 {0.644324 0.0540763 0.681667} Si1185 3553 0.0 -1 14 {} Si 0.0 {0.654224 0.0535256 0.947996} Si1186 3554 0.0 -1 14 {} Si 0.0 {0.64459 0.0785937 0.763494} Si1187 3555 0.0 -1 14 {} Si 0.0 {0.653442 0.0773724 0.860987} Si1188 3556 0.0 -1 8 {} O 0.0 {0.644145 0.0457903 0.744918} O2369 3557 0.0 -1 8 {} O 0.0 {0.653122 0.0640739 0.899046} O2370 3558 0.0 -1 8 {} O 0.0 {0.644129 0.0686334 0.706496} O2371 3559 0.0 -1 8 {} O 0.0 {0.65227 0.0901499 0.903341} O2372 3560 0.0 -1 8 {} O 0.0 {0.659621 0.0788327 0.842626} O2373 3561 0.0 -1 8 {} O 0.0 {0.650089 0.0796629 0.798713} O2374 3562 0.0 -1 8 {} O 0.0 {0.650036 0.0539174 0.00498196} O2375 3563 0.0 -1 8 {} O 0.0 {0.639761 0.0558235 0.996127} O2376 3564 0.0 -1 14 {} Si 0.0 {0.665768 0.957789 0.0246348} Si1189 3565 0.0 -1 14 {} Si 0.0 {0.674749 0.958957 0.296462} Si1190 3566 0.0 -1 14 {} Si 0.0 {0.665777 0.982118 0.113931} Si1191 3567 0.0 -1 14 {} Si 0.0 {0.675424 0.981752 0.19822} Si1192 3568 0.0 -1 8 {} O 0.0 {0.665728 0.945347 0.0715479} O2377 3569 0.0 -1 8 {} O 0.0 {0.675525 0.972083 0.258016} O2378 3570 0.0 -1 8 {} O 0.0 {0.66659 0.970921 0.0616677} O2379 3571 0.0 -1 8 {} O 0.0 {0.675771 0.99581 0.223837} O2380 3572 0.0 -1 8 {} O 0.0 {0.680043 0.979837 0.148182} O2381 3573 0.0 -1 8 {} O 0.0 {0.669979 0.979504 0.165004} O2382 3574 0.0 -1 8 {} O 0.0 {0.669284 0.954681 0.323912} O2383 3575 0.0 -1 8 {} O 0.0 {0.659006 0.95294 0.328608} O2384 3576 0.0 -1 14 {} Si 0.0 {0.66415 0.956657 0.365648} Si1193 3577 0.0 -1 14 {} Si 0.0 {0.674938 0.955772 0.618511} Si1194 3578 0.0 -1 14 {} Si 0.0 {0.665101 0.983095 0.443525} Si1195 3579 0.0 -1 14 {} Si 0.0 {0.674952 0.981416 0.531899} Si1196 3580 0.0 -1 8 {} O 0.0 {0.664362 0.949585 0.433246} O2385 3581 0.0 -1 8 {} O 0.0 {0.675553 0.967721 0.568034} O2386 3582 0.0 -1 8 {} O 0.0 {0.664404 0.972215 0.39231} O2387 3583 0.0 -1 8 {} O 0.0 {0.672901 0.991406 0.581766} O2388 3584 0.0 -1 8 {} O 0.0 {0.680164 0.983947 0.494572} O2389 3585 0.0 -1 8 {} O 0.0 {0.670454 0.979867 0.476344} O2390 3586 0.0 -1 8 {} O 0.0 {0.669329 0.955958 0.650916} O2391 3587 0.0 -1 8 {} O 0.0 {0.658998 0.954455 0.67455} O2392 3588 0.0 -1 14 {} Si 0.0 {0.664563 0.95829 0.698993} Si1197 3589 0.0 -1 14 {} Si 0.0 {0.674671 0.952916 0.930405} Si1198 3590 0.0 -1 14 {} Si 0.0 {0.664147 0.982771 0.780995} Si1199 3591 0.0 -1 14 {} Si 0.0 {0.674951 0.977964 0.8523} Si1200 3592 0.0 -1 8 {} O 0.0 {0.665929 0.949673 0.762354} O2393 3593 0.0 -1 8 {} O 0.0 {0.67549 0.962834 0.875486} O2394 3594 0.0 -1 8 {} O 0.0 {0.664045 0.973266 0.724023} O2395 3595 0.0 -1 8 {} O 0.0 {0.674976 0.988078 0.906559} O2396 3596 0.0 -1 8 {} O 0.0 {0.680097 0.980119 0.811588} O2397 3597 0.0 -1 8 {} O 0.0 {0.66927 0.977905 0.819202} O2398 3598 0.0 -1 8 {} O 0.0 {0.669535 0.954842 0.969107} O2399 3599 0.0 -1 8 {} O 0.0 {0.659883 0.956527 0.999839} O2400 3600 0.0 -1 14 {} Si 0.0 {0.665595 0.00764563 0.0262046} Si1201 3601 0.0 -1 14 {} Si 0.0 {0.675019 0.00580769 0.281407} Si1202 3602 0.0 -1 14 {} Si 0.0 {0.665331 0.031166 0.113989} Si1203 3603 0.0 -1 14 {} Si 0.0 {0.675183 0.0313505 0.200688} Si1204 3604 0.0 -1 8 {} O 0.0 {0.666437 0.994595 0.0705176} O2401 3605 0.0 -1 8 {} O 0.0 {0.675194 0.0199342 0.25088} O2402 3606 0.0 -1 8 {} O 0.0 {0.666786 0.0193946 0.0724387} O2403 3607 0.0 -1 8 {} O 0.0 {0.676004 0.0448965 0.235076} O2404 3608 0.0 -1 8 {} O 0.0 {0.679737 0.0290065 0.148942} O2405 3609 0.0 -1 8 {} O 0.0 {0.669572 0.0318302 0.166874} O2406 3610 0.0 -1 8 {} O 0.0 {0.669235 0.00548539 0.311787} O2407 3611 0.0 -1 8 {} O 0.0 {0.659059 0.00306114 0.325} O2408 3612 0.0 -1 14 {} Si 0.0 {0.664498 0.00682948 0.358632} Si1205 3613 0.0 -1 14 {} Si 0.0 {0.673919 0.00580058 0.612363} Si1206 3614 0.0 -1 14 {} Si 0.0 {0.664318 0.0310908 0.440656} Si1207 3615 0.0 -1 14 {} Si 0.0 {0.674413 0.0296249 0.527625} Si1208 3616 0.0 -1 8 {} O 0.0 {0.665569 0.996765 0.412415} O2409 3617 0.0 -1 8 {} O 0.0 {0.673524 0.0152182 0.552025} O2410 3618 0.0 -1 8 {} O 0.0 {0.664155 0.0211315 0.385588} O2411 3619 0.0 -1 8 {} O 0.0 {0.673707 0.0395876 0.58172} O2412 3620 0.0 -1 8 {} O 0.0 {0.679936 0.0319282 0.493519} O2413 3621 0.0 -1 8 {} O 0.0 {0.669656 0.0316129 0.480477} O2414 3622 0.0 -1 8 {} O 0.0 {0.669773 0.00734966 0.663081} O2415 3623 0.0 -1 8 {} O 0.0 {0.659258 0.00464708 0.661424} O2416 3624 0.0 -1 14 {} Si 0.0 {0.664341 0.00758145 0.703176} Si1209 3625 0.0 -1 14 {} Si 0.0 {0.675239 0.00194366 0.937501} Si1210 3626 0.0 -1 14 {} Si 0.0 {0.665756 0.0302555 0.793059} Si1211 3627 0.0 -1 14 {} Si 0.0 {0.676378 0.0287867 0.868957} Si1212 3628 0.0 -1 8 {} O 0.0 {0.664901 0.997249 0.757477} O2417 3629 0.0 -1 8 {} O 0.0 {0.676912 0.014253 0.894317} O2418 3630 0.0 -1 8 {} O 0.0 {0.664157 0.0210046 0.737624} O2419 3631 0.0 -1 8 {} O 0.0 {0.675642 0.0385731 0.926203} O2420 3632 0.0 -1 8 {} O 0.0 {0.680848 0.0322552 0.818527} O2421 3633 0.0 -1 8 {} O 0.0 {0.671368 0.0279331 0.825326} O2422 3634 0.0 -1 8 {} O 0.0 {0.669794 0.00503628 0.970683} O2423 3635 0.0 -1 8 {} O 0.0 {0.659886 0.00826607 0.996535} O2424 3636 0.0 -1 14 {} Si 0.0 {0.664627 0.056303 0.031595} Si1213 3637 0.0 -1 14 {} Si 0.0 {0.674514 0.0551653 0.287044} Si1214 3638 0.0 -1 14 {} Si 0.0 {0.664203 0.0793197 0.12388} Si1215 3639 0.0 -1 14 {} Si 0.0 {0.674691 0.0793292 0.203727} Si1216 3640 0.0 -1 8 {} O 0.0 {0.664375 0.0454687 0.082203} O2425 3641 0.0 -1 8 {} O 0.0 {0.674139 0.0693323 0.260393} O2426 3642 0.0 -1 8 {} O 0.0 {0.664581 0.0699667 0.0652657} O2427 3643 0.0 -1 8 {} O 0.0 {0.675016 0.094509 0.227133} O2428 3644 0.0 -1 8 {} O 0.0 {0.679577 0.0771974 0.160384} O2429 3645 0.0 -1 8 {} O 0.0 {0.669555 0.0795481 0.163551} O2430 3646 0.0 -1 8 {} O 0.0 {0.669459 0.0524171 0.330315} O2431 3647 0.0 -1 8 {} O 0.0 {0.658832 0.0551133 0.320845} O2432 3648 0.0 -1 14 {} Si 0.0 {0.664087 0.0557504 0.361311} Si1217 3649 0.0 -1 14 {} Si 0.0 {0.674291 0.0529729 0.617069} Si1218 3650 0.0 -1 14 {} Si 0.0 {0.665563 0.0805895 0.446195} Si1219 3651 0.0 -1 14 {} Si 0.0 {0.675478 0.076078 0.525342} Si1220 3652 0.0 -1 8 {} O 0.0 {0.663094 0.0453783 0.415941} O2433 3653 0.0 -1 8 {} O 0.0 {0.673335 0.0643233 0.566206} O2434 3654 0.0 -1 8 {} O 0.0 {0.664936 0.0693145 0.397169} O2435 3655 0.0 -1 8 {} O 0.0 {0.676386 0.0865345 0.582196} O2436 3656 0.0 -1 8 {} O 0.0 {0.681591 0.0770485 0.495929} O2437 3657 0.0 -1 8 {} O 0.0 {0.671184 0.0818993 0.477768} O2438 3658 0.0 -1 8 {} O 0.0 {0.669909 0.0549322 0.674791} O2439 3659 0.0 -1 8 {} O 0.0 {0.659367 0.0540265 0.677046} O2440 3660 0.0 -1 14 {} Si 0.0 {0.664581 0.0554983 0.715828} Si1221 3661 0.0 -1 14 {} Si 0.0 {0.67548 0.0523185 0.956671} Si1222 3662 0.0 -1 14 {} Si 0.0 {0.664689 0.0802171 0.797543} Si1223 3663 0.0 -1 14 {} Si 0.0 {0.675031 0.0775699 0.875289} Si1224 3664 0.0 -1 8 {} O 0.0 {0.665134 0.0446942 0.768532} O2441 3665 0.0 -1 8 {} O 0.0 {0.675213 0.0632266 0.904672} O2442 3666 0.0 -1 8 {} O 0.0 {0.664835 0.0696151 0.743776} O2443 3667 0.0 -1 8 {} O 0.0 {0.675439 0.0875419 0.933293} O2444 3668 0.0 -1 8 {} O 0.0 {0.680399 0.0795485 0.841726} O2445 3669 0.0 -1 8 {} O 0.0 {0.669821 0.0806678 0.83717} O2446 3670 0.0 -1 8 {} O 0.0 {0.66996 0.0534524 0.993679} O2447 3671 0.0 -1 8 {} O 0.0 {0.659611 0.0556993 0.983964} O2448 3672 0.0 -1 14 {} Si 0.0 {0.684533 0.956398 0.0238646} Si1225 3673 0.0 -1 14 {} Si 0.0 {0.694787 0.955385 0.289223} Si1226 3674 0.0 -1 14 {} Si 0.0 {0.685024 0.980675 0.106432} Si1227 3675 0.0 -1 14 {} Si 0.0 {0.694613 0.979248 0.196923} Si1228 3676 0.0 -1 8 {} O 0.0 {0.683842 0.947677 0.0859708} O2449 3677 0.0 -1 8 {} O 0.0 {0.695466 0.966213 0.23761} O2450 3678 0.0 -1 8 {} O 0.0 {0.684781 0.970773 0.0503576} O2451 3679 0.0 -1 8 {} O 0.0 {0.693196 0.990767 0.238614} O2452 3680 0.0 -1 8 {} O 0.0 {0.699408 0.982071 0.14889} O2453 3681 0.0 -1 8 {} O 0.0 {0.69009 0.976671 0.148315} O2454 3682 0.0 -1 8 {} O 0.0 {0.688975 0.956347 0.316496} O2455 3683 0.0 -1 8 {} O 0.0 {0.679363 0.95723 0.345138} O2456 3684 0.0 -1 14 {} Si 0.0 {0.685044 0.959678 0.37126} Si1229 3685 0.0 -1 14 {} Si 0.0 {0.694897 0.956266 0.601856} Si1230 3686 0.0 -1 14 {} Si 0.0 {0.685245 0.984289 0.450327} Si1231 3687 0.0 -1 14 {} Si 0.0 {0.69557 0.981997 0.524641} Si1232 3688 0.0 -1 8 {} O 0.0 {0.686329 0.949409 0.427069} O2457 3689 0.0 -1 8 {} O 0.0 {0.695772 0.970876 0.578995} O2458 3690 0.0 -1 8 {} O 0.0 {0.685453 0.974458 0.393114} O2459 3691 0.0 -1 8 {} O 0.0 {0.695763 0.995706 0.558613} O2460 3692 0.0 -1 8 {} O 0.0 {0.70004 0.978007 0.47879} O2461 3693 0.0 -1 8 {} O 0.0 {0.690095 0.979084 0.489824} O2462 3694 0.0 -1 8 {} O 0.0 {0.689386 0.954862 0.6368} O2463 3695 0.0 -1 8 {} O 0.0 {0.679612 0.955973 0.666321} O2464 3696 0.0 -1 14 {} Si 0.0 {0.685382 0.958723 0.69145} Si1233 3697 0.0 -1 14 {} Si 0.0 {0.694777 0.953235 0.947588} Si1234 3698 0.0 -1 14 {} Si 0.0 {0.685519 0.982786 0.778863} Si1235 3699 0.0 -1 14 {} Si 0.0 {0.695498 0.978793 0.863788} Si1236 3700 0.0 -1 8 {} O 0.0 {0.686283 0.946539 0.743373} O2465 3701 0.0 -1 8 {} O 0.0 {0.6946 0.96508 0.896559} O2466 3702 0.0 -1 8 {} O 0.0 {0.686511 0.971859 0.729207} O2467 3703 0.0 -1 8 {} O 0.0 {0.696007 0.98924 0.916013} O2468 3704 0.0 -1 8 {} O 0.0 {0.700461 0.978126 0.819943} O2469 3705 0.0 -1 8 {} O 0.0 {0.690589 0.983247 0.823223} O2470 3706 0.0 -1 8 {} O 0.0 {0.690145 0.952767 0.997198} O2471 3707 0.0 -1 8 {} O 0.0 {0.679705 0.953344 0.978273} O2472 3708 0.0 -1 14 {} Si 0.0 {0.684954 0.0054358 0.0281433} Si1237 3709 0.0 -1 14 {} Si 0.0 {0.695106 0.00326434 0.280998} Si1238 3710 0.0 -1 14 {} Si 0.0 {0.685191 0.0309328 0.113299} Si1239 3711 0.0 -1 14 {} Si 0.0 {0.695147 0.0282821 0.19639} Si1240 3712 0.0 -1 8 {} O 0.0 {0.685711 0.995406 0.0817165} O2473 3713 0.0 -1 8 {} O 0.0 {0.696266 0.0150281 0.233928} O2474 3714 0.0 -1 8 {} O 0.0 {0.684762 0.0195236 0.061713} O2475 3715 0.0 -1 8 {} O 0.0 {0.695746 0.0379182 0.254489} O2476 3716 0.0 -1 8 {} O 0.0 {0.69991 0.0306155 0.148719} O2477 3717 0.0 -1 8 {} O 0.0 {0.689765 0.0281671 0.159637} O2478 3718 0.0 -1 8 {} O 0.0 {0.69019 0.00812093 0.321674} O2479 3719 0.0 -1 8 {} O 0.0 {0.67988 0.00408741 0.329892} O2480 3720 0.0 -1 14 {} Si 0.0 {0.685203 0.00859775 0.367914} Si1241 3721 0.0 -1 14 {} Si 0.0 {0.695528 0.00712307 0.60973} Si1242 3722 0.0 -1 14 {} Si 0.0 {0.685002 0.0333547 0.450124} Si1243 3723 0.0 -1 14 {} Si 0.0 {0.695119 0.0312807 0.52685} Si1244 3724 0.0 -1 8 {} O 0.0 {0.686117 0.998152 0.421941} O2481 3725 0.0 -1 8 {} O 0.0 {0.696823 0.0206054 0.573726} O2482 3726 0.0 -1 8 {} O 0.0 {0.684449 0.0223875 0.396738} O2483 3727 0.0 -1 8 {} O 0.0 {0.694968 0.0445693 0.568239} O2484 3728 0.0 -1 8 {} O 0.0 {0.699058 0.0317419 0.470787} O2485 3729 0.0 -1 8 {} O 0.0 {0.689605 0.0301102 0.497139} O2486 3730 0.0 -1 8 {} O 0.0 {0.690053 0.00767906 0.64459} O2487 3731 0.0 -1 8 {} O 0.0 {0.679677 0.00512157 0.642169} O2488 3732 0.0 -1 14 {} Si 0.0 {0.684689 0.00722407 0.68625} Si1245 3733 0.0 -1 14 {} Si 0.0 {0.69517 0.00368131 0.943856} Si1246 3734 0.0 -1 14 {} Si 0.0 {0.685351 0.032019 0.768162} Si1247 3735 0.0 -1 14 {} Si 0.0 {0.695717 0.0277941 0.849851} Si1248 3736 0.0 -1 8 {} O 0.0 {0.684788 0.99585 0.73918} O2489 3737 0.0 -1 8 {} O 0.0 {0.695026 0.0142387 0.887454} O2490 3738 0.0 -1 8 {} O 0.0 {0.6842 0.0208471 0.720242} O2491 3739 0.0 -1 8 {} O 0.0 {0.695312 0.0384192 0.904026} O2492 3740 0.0 -1 8 {} O 0.0 {0.701209 0.0281279 0.818592} O2493 3741 0.0 -1 8 {} O 0.0 {0.691257 0.0296638 0.798769} O2494 3742 0.0 -1 8 {} O 0.0 {0.689711 0.00383709 0.977204} O2495 3743 0.0 -1 8 {} O 0.0 {0.67963 0.00152913 0.992002} O2496 3744 0.0 -1 14 {} Si 0.0 {0.685548 0.0561953 0.0370167} Si1249 3745 0.0 -1 14 {} Si 0.0 {0.695308 0.0523056 0.280273} Si1250 3746 0.0 -1 14 {} Si 0.0 {0.684926 0.0790457 0.127954} Si1251 3747 0.0 -1 14 {} Si 0.0 {0.695423 0.0763307 0.196259} Si1252 3748 0.0 -1 8 {} O 0.0 {0.686176 0.0454909 0.0904679} O2497 3749 0.0 -1 8 {} O 0.0 {0.695343 0.0622106 0.223862} O2498 3750 0.0 -1 8 {} O 0.0 {0.686243 0.0692349 0.0737925} O2499 3751 0.0 -1 8 {} O 0.0 {0.697226 0.0866816 0.247994} O2500 3752 0.0 -1 8 {} O 0.0 {0.699117 0.0786765 0.138655} O2501 3753 0.0 -1 8 {} O 0.0 {0.689567 0.0804643 0.178439} O2502 3754 0.0 -1 8 {} O 0.0 {0.68967 0.0543996 0.314973} O2503 3755 0.0 -1 8 {} O 0.0 {0.679387 0.0548899 0.336727} O2504 3756 0.0 -1 14 {} Si 0.0 {0.685219 0.0571963 0.364934} Si1253 3757 0.0 -1 14 {} Si 0.0 {0.694948 0.0585605 0.60551} Si1254 3758 0.0 -1 14 {} Si 0.0 {0.685432 0.0820799 0.443726} Si1255 3759 0.0 -1 14 {} Si 0.0 {0.696048 0.0825515 0.518034} Si1256 3760 0.0 -1 8 {} O 0.0 {0.685929 0.0475632 0.422102} O2505 3761 0.0 -1 8 {} O 0.0 {0.696359 0.0685466 0.554131} O2506 3762 0.0 -1 8 {} O 0.0 {0.685572 0.0714741 0.388368} O2507 3763 0.0 -1 8 {} O 0.0 {0.695945 0.0947013 0.56605} O2508 3764 0.0 -1 8 {} O 0.0 {0.701143 0.0858617 0.475347} O2509 3765 0.0 -1 8 {} O 0.0 {0.691026 0.0841157 0.470802} O2510 3766 0.0 -1 8 {} O 0.0 {0.689509 0.0612254 0.640511} O2511 3767 0.0 -1 8 {} O 0.0 {0.679922 0.0546016 0.647816} O2512 3768 0.0 -1 14 {} Si 0.0 {0.684968 0.0580707 0.687793} Si1257 3769 0.0 -1 14 {} Si 0.0 {0.694726 0.0523655 0.935209} Si1258 3770 0.0 -1 14 {} Si 0.0 {0.684254 0.0813289 0.782897} Si1259 3771 0.0 -1 14 {} Si 0.0 {0.694703 0.0773998 0.856541} Si1260 3772 0.0 -1 8 {} O 0.0 {0.686019 0.0458483 0.730472} O2513 3773 0.0 -1 8 {} O 0.0 {0.693855 0.0639143 0.890347} O2514 3774 0.0 -1 8 {} O 0.0 {0.683996 0.0703537 0.732688} O2515 3775 0.0 -1 8 {} O 0.0 {0.69453 0.0879803 0.910757} O2516 3776 0.0 -1 8 {} O 0.0 {0.700278 0.0801027 0.827558} O2517 3777 0.0 -1 8 {} O 0.0 {0.690307 0.082293 0.803702} O2518 3778 0.0 -1 8 {} O 0.0 {0.689847 0.0527559 0.985834} O2519 3779 0.0 -1 8 {} O 0.0 {0.680039 0.0539517 0.00409841} O2520 3780 0.0 -1 14 {} Si 0.0 {0.704912 0.960427 0.0298712} Si1261 3781 0.0 -1 14 {} Si 0.0 {0.715269 0.958788 0.269074} Si1262 3782 0.0 -1 14 {} Si 0.0 {0.704521 0.985332 0.109609} Si1263 3783 0.0 -1 14 {} Si 0.0 {0.714684 0.984495 0.193329} Si1264 3784 0.0 -1 8 {} O 0.0 {0.705325 0.951761 0.0948185} O2521 3785 0.0 -1 8 {} O 0.0 {0.714613 0.973718 0.247862} O2522 3786 0.0 -1 8 {} O 0.0 {0.70516 0.974793 0.0555735} O2523 3787 0.0 -1 8 {} O 0.0 {0.714817 0.999276 0.215998} O2524 3788 0.0 -1 8 {} O 0.0 {0.71968 0.9805 0.149679} O2525 3789 0.0 -1 8 {} O 0.0 {0.70962 0.982584 0.150452} O2526 3790 0.0 -1 8 {} O 0.0 {0.709638 0.955179 0.29902} O2527 3791 0.0 -1 8 {} O 0.0 {0.69954 0.954241 0.333631} O2528 3792 0.0 -1 14 {} Si 0.0 {0.705541 0.95615 0.354377} Si1265 3793 0.0 -1 14 {} Si 0.0 {0.715263 0.954794 0.608686} Si1266 3794 0.0 -1 14 {} Si 0.0 {0.705728 0.98017 0.446892} Si1267 3795 0.0 -1 14 {} Si 0.0 {0.715664 0.980722 0.526477} Si1268 3796 0.0 -1 8 {} O 0.0 {0.70713 0.943798 0.397209} O2529 3797 0.0 -1 8 {} O 0.0 {0.716577 0.967529 0.567846} O2530 3798 0.0 -1 8 {} O 0.0 {0.706553 0.968291 0.399589} O2531 3799 0.0 -1 8 {} O 0.0 {0.716624 0.994441 0.562109} O2532 3800 0.0 -1 8 {} O 0.0 {0.719989 0.979666 0.471796} O2533 3801 0.0 -1 8 {} O 0.0 {0.709949 0.979179 0.500315} O2534 3802 0.0 -1 8 {} O 0.0 {0.709798 0.954088 0.63896} O2535 3803 0.0 -1 8 {} O 0.0 {0.699501 0.951285 0.648793} O2536 3804 0.0 -1 14 {} Si 0.0 {0.705022 0.95237 0.685023} Si1269 3805 0.0 -1 14 {} Si 0.0 {0.714993 0.957427 0.953225} Si1270 3806 0.0 -1 14 {} Si 0.0 {0.70538 0.975765 0.775449} Si1271 3807 0.0 -1 14 {} Si 0.0 {0.715258 0.98092 0.864325} Si1272 3808 0.0 -1 8 {} O 0.0 {0.705567 0.938006 0.708989} O2537 3809 0.0 -1 8 {} O 0.0 {0.715327 0.970597 0.919081} O2538 3810 0.0 -1 8 {} O 0.0 {0.705068 0.961787 0.743597} O2539 3811 0.0 -1 8 {} O 0.0 {0.714775 0.995576 0.886269} O2540 3812 0.0 -1 8 {} O 0.0 {0.720675 0.979815 0.826803} O2541 3813 0.0 -1 8 {} O 0.0 {0.710571 0.976877 0.814597} O2542 3814 0.0 -1 8 {} O 0.0 {0.709904 0.954859 0.994714} O2543 3815 0.0 -1 8 {} O 0.0 {0.699966 0.956693 0.990995} O2544 3816 0.0 -1 14 {} Si 0.0 {0.705502 0.009331 0.0236914} Si1273 3817 0.0 -1 14 {} Si 0.0 {0.714879 0.00891843 0.275128} Si1274 3818 0.0 -1 14 {} Si 0.0 {0.705084 0.033657 0.109393} Si1275 3819 0.0 -1 14 {} Si 0.0 {0.715383 0.0340583 0.192079} Si1276 3820 0.0 -1 8 {} O 0.0 {0.704714 0.999789 0.081108} O2545 3821 0.0 -1 8 {} O 0.0 {0.714488 0.0226859 0.243656} O2546 3822 0.0 -1 8 {} O 0.0 {0.706114 0.0236812 0.0497828} O2547 3823 0.0 -1 8 {} O 0.0 {0.716451 0.0476394 0.219584} O2548 3824 0.0 -1 8 {} O 0.0 {0.719993 0.0296627 0.146251} O2549 3825 0.0 -1 8 {} O 0.0 {0.709951 0.0346088 0.156067} O2550 3826 0.0 -1 8 {} O 0.0 {0.709952 0.00531357 0.314867} O2551 3827 0.0 -1 8 {} O 0.0 {0.699693 0.000826561 0.326825} O2552 3828 0.0 -1 14 {} Si 0.0 {0.704887 0.00542181 0.363168} Si1277 3829 0.0 -1 14 {} Si 0.0 {0.714999 0.0047775 0.611279} Si1278 3830 0.0 -1 14 {} Si 0.0 {0.704719 0.030952 0.43717} Si1279 3831 0.0 -1 14 {} Si 0.0 {0.714606 0.0303427 0.527271} Si1280 3832 0.0 -1 8 {} O 0.0 {0.706227 0.994178 0.415385} O2553 3833 0.0 -1 8 {} O 0.0 {0.715166 0.0182925 0.576133} O2554 3834 0.0 -1 8 {} O 0.0 {0.704143 0.0193104 0.389603} O2555 3835 0.0 -1 8 {} O 0.0 {0.712945 0.0418296 0.571658} O2556 3836 0.0 -1 8 {} O 0.0 {0.719962 0.0325732 0.492969} O2557 3837 0.0 -1 8 {} O 0.0 {0.709699 0.0288381 0.48239} O2558 3838 0.0 -1 8 {} O 0.0 {0.709176 0.00164242 0.636921} O2559 3839 0.0 -1 8 {} O 0.0 {0.699296 0.00209724 0.66379} O2560 3840 0.0 -1 14 {} Si 0.0 {0.705013 0.00152194 0.692674} Si1281 3841 0.0 -1 14 {} Si 0.0 {0.715284 0.00626485 0.93988} Si1282 3842 0.0 -1 14 {} Si 0.0 {0.705594 0.0276166 0.76808} Si1283 3843 0.0 -1 14 {} Si 0.0 {0.715847 0.0314661 0.851494} Si1284 3844 0.0 -1 8 {} O 0.0 {0.705335 0.98745 0.727695} O2561 3845 0.0 -1 8 {} O 0.0 {0.715121 0.0200575 0.904674} O2562 3846 0.0 -1 8 {} O 0.0 {0.705691 0.0140651 0.736103} O2563 3847 0.0 -1 8 {} O 0.0 {0.714959 0.0449576 0.884581} O2564 3848 0.0 -1 8 {} O 0.0 {0.721364 0.029478 0.818761} O2565 3849 0.0 -1 8 {} O 0.0 {0.711373 0.0288514 0.801315} O2566 3850 0.0 -1 8 {} O 0.0 {0.71059 0.00400342 0.986895} O2567 3851 0.0 -1 8 {} O 0.0 {0.700292 0.00772202 0.98424} O2568 3852 0.0 -1 14 {} Si 0.0 {0.704615 0.057171 0.0222562} Si1285 3853 0.0 -1 14 {} Si 0.0 {0.715522 0.0587744 0.271303} Si1286 3854 0.0 -1 14 {} Si 0.0 {0.704608 0.081545 0.103933} Si1287 3855 0.0 -1 14 {} Si 0.0 {0.715441 0.0821141 0.180942} Si1288 3856 0.0 -1 8 {} O 0.0 {0.70437 0.0478655 0.0806026} O2569 3857 0.0 -1 8 {} O 0.0 {0.715713 0.0731033 0.242323} O2570 3858 0.0 -1 8 {} O 0.0 {0.704676 0.0727899 0.0425023} O2571 3859 0.0 -1 8 {} O 0.0 {0.71576 0.0959162 0.212329} O2572 3860 0.0 -1 8 {} O 0.0 {0.720083 0.0817655 0.130974} O2573 3861 0.0 -1 8 {} O 0.0 {0.709933 0.0801388 0.14437} O2574 3862 0.0 -1 8 {} O 0.0 {0.710027 0.0560836 0.310936} O2575 3863 0.0 -1 8 {} O 0.0 {0.700023 0.0564837 0.327765} O2576 3864 0.0 -1 14 {} Si 0.0 {0.705404 0.0569714 0.360682} Si1289 3865 0.0 -1 14 {} Si 0.0 {0.714061 0.0549963 0.607388} Si1290 3866 0.0 -1 14 {} Si 0.0 {0.706349 0.0835332 0.436016} Si1291 3867 0.0 -1 14 {} Si 0.0 {0.715962 0.0797714 0.52225} Si1292 3868 0.0 -1 8 {} O 0.0 {0.706058 0.0443735 0.40326} O2577 3869 0.0 -1 8 {} O 0.0 {0.714292 0.0673587 0.560858} O2578 3870 0.0 -1 8 {} O 0.0 {0.706664 0.0698318 0.396257} O2579 3871 0.0 -1 8 {} O 0.0 {0.716971 0.0912684 0.572782} O2580 3872 0.0 -1 8 {} O 0.0 {0.721539 0.0783172 0.488232} O2581 3873 0.0 -1 8 {} O 0.0 {0.711755 0.0852511 0.473655} O2582 3874 0.0 -1 8 {} O 0.0 {0.709689 0.0570587 0.658082} O2583 3875 0.0 -1 8 {} O 0.0 {0.699069 0.057796 0.66258} O2584 3876 0.0 -1 14 {} Si 0.0 {0.704629 0.0528193 0.694068} Si1293 3877 0.0 -1 14 {} Si 0.0 {0.714553 0.05532 0.936249} Si1294 3878 0.0 -1 14 {} Si 0.0 {0.705066 0.0767957 0.782861} Si1295 3879 0.0 -1 14 {} Si 0.0 {0.715536 0.0802184 0.852301} Si1296 3880 0.0 -1 8 {} O 0.0 {0.704892 0.0381205 0.717719} O2585 3881 0.0 -1 8 {} O 0.0 {0.714139 0.0693234 0.902181} O2586 3882 0.0 -1 8 {} O 0.0 {0.705002 0.0620814 0.75574} O2587 3883 0.0 -1 8 {} O 0.0 {0.715177 0.0938581 0.89359} O2588 3884 0.0 -1 8 {} O 0.0 {0.721218 0.0792102 0.824252} O2589 3885 0.0 -1 8 {} O 0.0 {0.710802 0.0816022 0.803347} O2590 3886 0.0 -1 8 {} O 0.0 {0.709495 0.0547402 0.979963} O2591 3887 0.0 -1 8 {} O 0.0 {0.699552 0.0556521 0.980675} O2592 3888 0.0 -1 14 {} Si 0.0 {0.724999 0.959489 0.0370827} Si1297 3889 0.0 -1 14 {} Si 0.0 {0.735559 0.958829 0.267886} Si1298 3890 0.0 -1 14 {} Si 0.0 {0.724933 0.98435 0.113846} Si1299 3891 0.0 -1 14 {} Si 0.0 {0.735095 0.984094 0.19305} Si1300 3892 0.0 -1 8 {} O 0.0 {0.724666 0.951938 0.103136} O2593 3893 0.0 -1 8 {} O 0.0 {0.735349 0.973429 0.247385} O2594 3894 0.0 -1 8 {} O 0.0 {0.724904 0.974369 0.0569271} O2595 3895 0.0 -1 8 {} O 0.0 {0.735386 0.997963 0.223234} O2596 3896 0.0 -1 8 {} O 0.0 {0.740225 0.981885 0.14902} O2597 3897 0.0 -1 8 {} O 0.0 {0.729756 0.981461 0.160639} O2598 3898 0.0 -1 8 {} O 0.0 {0.729889 0.956279 0.294934} O2599 3899 0.0 -1 8 {} O 0.0 {0.719656 0.957619 0.324157} O2600 3900 0.0 -1 14 {} Si 0.0 {0.725296 0.957663 0.349012} Si1301 3901 0.0 -1 14 {} Si 0.0 {0.735396 0.953365 0.612623} Si1302 3902 0.0 -1 14 {} Si 0.0 {0.725574 0.980881 0.440407} Si1303 3903 0.0 -1 14 {} Si 0.0 {0.735386 0.977741 0.52923} Si1304 3904 0.0 -1 8 {} O 0.0 {0.72535 0.943449 0.383074} O2601 3905 0.0 -1 8 {} O 0.0 {0.735117 0.964236 0.560121} O2602 3906 0.0 -1 8 {} O 0.0 {0.726603 0.969199 0.397204} O2603 3907 0.0 -1 8 {} O 0.0 {0.736037 0.989343 0.578779} O2604 3908 0.0 -1 8 {} O 0.0 {0.739729 0.978884 0.474363} O2605 3909 0.0 -1 8 {} O 0.0 {0.729756 0.980427 0.496286} O2606 3910 0.0 -1 8 {} O 0.0 {0.730114 0.951596 0.654333} O2607 3911 0.0 -1 8 {} O 0.0 {0.719832 0.954831 0.660896} O2608 3912 0.0 -1 14 {} Si 0.0 {0.725386 0.957102 0.693434} Si1305 3913 0.0 -1 14 {} Si 0.0 {0.735352 0.957399 0.964992} Si1306 3914 0.0 -1 14 {} Si 0.0 {0.725761 0.98058 0.783822} Si1307 3915 0.0 -1 14 {} Si 0.0 {0.73575 0.980626 0.873065} Si1308 3916 0.0 -1 8 {} O 0.0 {0.725365 0.945914 0.749399} O2609 3917 0.0 -1 8 {} O 0.0 {0.735225 0.971473 0.929877} O2610 3918 0.0 -1 8 {} O 0.0 {0.726316 0.970531 0.728951} O2611 3919 0.0 -1 8 {} O 0.0 {0.735346 0.995693 0.896894} O2612 3920 0.0 -1 8 {} O 0.0 {0.740836 0.978088 0.836388} O2613 3921 0.0 -1 8 {} O 0.0 {0.730686 0.978638 0.828463} O2614 3922 0.0 -1 8 {} O 0.0 {0.730622 0.954526 0.00911948} O2615 3923 0.0 -1 8 {} O 0.0 {0.720228 0.956103 0.991815} O2616 3924 0.0 -1 14 {} Si 0.0 {0.725382 0.00707032 0.0237134} Si1309 3925 0.0 -1 14 {} Si 0.0 {0.734705 0.00926118 0.273196} Si1310 3926 0.0 -1 14 {} Si 0.0 {0.725049 0.0314269 0.103924} Si1311 3927 0.0 -1 14 {} Si 0.0 {0.735334 0.0327369 0.184316} Si1312 3928 0.0 -1 8 {} O 0.0 {0.724785 0.998779 0.0843501} O2617 3929 0.0 -1 8 {} O 0.0 {0.734835 0.0231229 0.241742} O2618 3930 0.0 -1 8 {} O 0.0 {0.72465 0.0219125 0.0452583} O2619 3931 0.0 -1 8 {} O 0.0 {0.73487 0.0469808 0.212438} O2620 3932 0.0 -1 8 {} O 0.0 {0.740394 0.0307857 0.139692} O2621 3933 0.0 -1 8 {} O 0.0 {0.730582 0.0298045 0.134865} O2622 3934 0.0 -1 8 {} O 0.0 {0.729757 0.00678423 0.318519} O2623 3935 0.0 -1 8 {} O 0.0 {0.720199 0.00624881 0.315226} O2624 3936 0.0 -1 14 {} Si 0.0 {0.724925 0.00780243 0.361547} Si1313 3937 0.0 -1 14 {} Si 0.0 {0.734874 0.00230547 0.618644} Si1314 3938 0.0 -1 14 {} Si 0.0 {0.724924 0.0319752 0.446814} Si1315 3939 0.0 -1 14 {} Si 0.0 {0.734833 0.0278755 0.530708} Si1316 3940 0.0 -1 8 {} O 0.0 {0.724882 0.994654 0.402325} O2625 3941 0.0 -1 8 {} O 0.0 {0.735245 0.014456 0.567869} O2626 3942 0.0 -1 8 {} O 0.0 {0.724041 0.0212417 0.395163} O2627 3943 0.0 -1 8 {} O 0.0 {0.735753 0.0384428 0.585488} O2628 3944 0.0 -1 8 {} O 0.0 {0.740258 0.0277277 0.490552} O2629 3945 0.0 -1 8 {} O 0.0 {0.730155 0.0305481 0.485194} O2630 3946 0.0 -1 8 {} O 0.0 {0.729152 0.0022436 0.643736} O2631 3947 0.0 -1 8 {} O 0.0 {0.718878 0.00445272 0.666964} O2632 3948 0.0 -1 14 {} Si 0.0 {0.724727 0.00508459 0.694052} Si1317 3949 0.0 -1 14 {} Si 0.0 {0.735596 0.00731601 0.943698} Si1318 3950 0.0 -1 14 {} Si 0.0 {0.725596 0.0321409 0.765826} Si1319 3951 0.0 -1 14 {} Si 0.0 {0.735949 0.0310798 0.857045} Si1320 3952 0.0 -1 8 {} O 0.0 {0.726033 0.994725 0.75169} O2633 3953 0.0 -1 8 {} O 0.0 {0.734535 0.0212693 0.912298} O2634 3954 0.0 -1 8 {} O 0.0 {0.725508 0.020005 0.720277} O2635 3955 0.0 -1 8 {} O 0.0 {0.73575 0.0454845 0.886586} O2636 3956 0.0 -1 8 {} O 0.0 {0.741645 0.0285399 0.829985} O2637 3957 0.0 -1 8 {} O 0.0 {0.730844 0.0306402 0.804836} O2638 3958 0.0 -1 8 {} O 0.0 {0.731153 0.00480989 0.998192} O2639 3959 0.0 -1 8 {} O 0.0 {0.720761 0.00547088 0.972642} O2640 3960 0.0 -1 14 {} Si 0.0 {0.72489 0.0561993 0.0200932} Si1321 3961 0.0 -1 14 {} Si 0.0 {0.734943 0.0561816 0.271723} Si1322 3962 0.0 -1 14 {} Si 0.0 {0.725686 0.0810687 0.10153} Si1323 3963 0.0 -1 14 {} Si 0.0 {0.735442 0.0826792 0.197121} Si1324 3964 0.0 -1 8 {} O 0.0 {0.724852 0.0458756 0.076303} O2641 3965 0.0 -1 8 {} O 0.0 {0.734811 0.0704887 0.243806} O2642 3966 0.0 -1 8 {} O 0.0 {0.725637 0.0713719 0.0464532} O2643 3967 0.0 -1 8 {} O 0.0 {0.735168 0.096311 0.234407} O2644 3968 0.0 -1 8 {} O 0.0 {0.740958 0.083081 0.164711} O2645 3969 0.0 -1 8 {} O 0.0 {0.730556 0.0805939 0.147635} O2646 3970 0.0 -1 8 {} O 0.0 {0.730064 0.0543644 0.31459} O2647 3971 0.0 -1 8 {} O 0.0 {0.720142 0.0574925 0.318798} O2648 3972 0.0 -1 14 {} Si 0.0 {0.725427 0.057581 0.358464} Si1325 3973 0.0 -1 14 {} Si 0.0 {0.7356 0.0531376 0.606441} Si1326 3974 0.0 -1 14 {} Si 0.0 {0.726479 0.0814516 0.446189} Si1327 3975 0.0 -1 14 {} Si 0.0 {0.736751 0.0779919 0.528109} Si1328 3976 0.0 -1 8 {} O 0.0 {0.724825 0.0463523 0.410848} O2649 3977 0.0 -1 8 {} O 0.0 {0.736313 0.0634644 0.549803} O2650 3978 0.0 -1 8 {} O 0.0 {0.726327 0.0710724 0.389973} O2651 3979 0.0 -1 8 {} O 0.0 {0.7367 0.0874455 0.589011} O2652 3980 0.0 -1 8 {} O 0.0 {0.741885 0.0820812 0.494419} O2653 3981 0.0 -1 8 {} O 0.0 {0.731724 0.0815891 0.48683} O2654 3982 0.0 -1 8 {} O 0.0 {0.730023 0.0547657 0.640381} O2655 3983 0.0 -1 8 {} O 0.0 {0.719688 0.056057 0.64149} O2656 3984 0.0 -1 14 {} Si 0.0 {0.724948 0.0571647 0.682103} Si1329 3985 0.0 -1 14 {} Si 0.0 {0.735458 0.0561181 0.939174} Si1330 3986 0.0 -1 14 {} Si 0.0 {0.725701 0.080351 0.773744} Si1331 3987 0.0 -1 14 {} Si 0.0 {0.736516 0.0799322 0.852536} Si1332 3988 0.0 -1 8 {} O 0.0 {0.724975 0.0457964 0.733087} O2657 3989 0.0 -1 8 {} O 0.0 {0.736019 0.0702012 0.909568} O2658 3990 0.0 -1 8 {} O 0.0 {0.72513 0.0705755 0.716465} O2659 3991 0.0 -1 8 {} O 0.0 {0.737293 0.0939729 0.878138} O2660 3992 0.0 -1 8 {} O 0.0 {0.740982 0.076101 0.804677} O2661 3993 0.0 -1 8 {} O 0.0 {0.731336 0.0800861 0.807802} O2662 3994 0.0 -1 8 {} O 0.0 {0.729769 0.0533389 0.97215} O2663 3995 0.0 -1 8 {} O 0.0 {0.719651 0.0574934 0.980811} O2664 3996 0.0 -1 14 {} Si 0.0 {0.745679 0.958175 0.040575} Si1333 3997 0.0 -1 14 {} Si 0.0 {0.755843 0.955329 0.288007} Si1334 3998 0.0 -1 14 {} Si 0.0 {0.745605 0.983925 0.114849} Si1335 3999 0.0 -1 14 {} Si 0.0 {0.756009 0.980839 0.202384} Si1336 4000 0.0 -1 8 {} O 0.0 {0.74544 0.948963 0.103145} O2665 4001 0.0 -1 8 {} O 0.0 {0.75647 0.967395 0.240907} O2666 4002 0.0 -1 8 {} O 0.0 {0.746273 0.972965 0.0669947} O2667 4003 0.0 -1 8 {} O 0.0 {0.756959 0.993535 0.242184} O2668 4004 0.0 -1 8 {} O 0.0 {0.760173 0.978555 0.149658} O2669 4005 0.0 -1 8 {} O 0.0 {0.750481 0.982691 0.16262} O2670 4006 0.0 -1 8 {} O 0.0 {0.749884 0.95516 0.303629} O2671 4007 0.0 -1 8 {} O 0.0 {0.739496 0.955515 0.325936} O2672 4008 0.0 -1 14 {} Si 0.0 {0.745227 0.95823 0.353064} Si1337 4009 0.0 -1 14 {} Si 0.0 {0.755156 0.953704 0.610548} Si1338 4010 0.0 -1 14 {} Si 0.0 {0.744902 0.982038 0.439158} Si1339 4011 0.0 -1 14 {} Si 0.0 {0.755029 0.979189 0.526607} Si1340 4012 0.0 -1 8 {} O 0.0 {0.745325 0.948429 0.41197} O2673 4013 0.0 -1 8 {} O 0.0 {0.753621 0.965234 0.562826} O2674 4014 0.0 -1 8 {} O 0.0 {0.745979 0.972349 0.381879} O2675 4015 0.0 -1 8 {} O 0.0 {0.755974 0.989599 0.579971} O2676 4016 0.0 -1 8 {} O 0.0 {0.760086 0.97795 0.483056} O2677 4017 0.0 -1 8 {} O 0.0 {0.749733 0.982313 0.486056} O2678 4018 0.0 -1 8 {} O 0.0 {0.750606 0.952454 0.660456} O2679 4019 0.0 -1 8 {} O 0.0 {0.739917 0.954964 0.663761} O2680 4020 0.0 -1 14 {} Si 0.0 {0.7455 0.956861 0.698225} Si1341 4021 0.0 -1 14 {} Si 0.0 {0.755535 0.955608 0.950805} Si1342 4022 0.0 -1 14 {} Si 0.0 {0.745571 0.980704 0.785028} Si1343 4023 0.0 -1 14 {} Si 0.0 {0.755871 0.980801 0.871006} Si1344 4024 0.0 -1 8 {} O 0.0 {0.745198 0.946498 0.754912} O2681 4025 0.0 -1 8 {} O 0.0 {0.755785 0.969803 0.92646} O2682 4026 0.0 -1 8 {} O 0.0 {0.745986 0.970371 0.73079} O2683 4027 0.0 -1 8 {} O 0.0 {0.756909 0.995023 0.900217} O2684 4028 0.0 -1 8 {} O 0.0 {0.760656 0.978299 0.821633} O2685 4029 0.0 -1 8 {} O 0.0 {0.750816 0.979753 0.828966} O2686 4030 0.0 -1 8 {} O 0.0 {0.750436 0.953785 0.995826} O2687 4031 0.0 -1 8 {} O 0.0 {0.740839 0.955638 0.997253} O2688 4032 0.0 -1 14 {} Si 0.0 {0.745869 0.00768793 0.02801} Si1345 4033 0.0 -1 14 {} Si 0.0 {0.755382 0.00609973 0.284222} Si1346 4034 0.0 -1 14 {} Si 0.0 {0.745963 0.0329317 0.108645} Si1347 4035 0.0 -1 14 {} Si 0.0 {0.755931 0.0312295 0.197384} Si1348 4036 0.0 -1 8 {} O 0.0 {0.745676 0.998159 0.0861598} O2689 4037 0.0 -1 8 {} O 0.0 {0.7551 0.0188358 0.238162} O2690 4038 0.0 -1 8 {} O 0.0 {0.746993 0.0221125 0.0557459} O2691 4039 0.0 -1 8 {} O 0.0 {0.755822 0.0439552 0.241047} O2692 4040 0.0 -1 8 {} O 0.0 {0.760786 0.029061 0.154751} O2693 4041 0.0 -1 8 {} O 0.0 {0.75072 0.0319748 0.157432} O2694 4042 0.0 -1 8 {} O 0.0 {0.750185 0.00291564 0.319132} O2695 4043 0.0 -1 8 {} O 0.0 {0.739732 0.00756381 0.315553} O2696 4044 0.0 -1 14 {} Si 0.0 {0.745026 0.00731636 0.355049} Si1349 4045 0.0 -1 14 {} Si 0.0 {0.754758 0.00310286 0.613255} Si1350 4046 0.0 -1 14 {} Si 0.0 {0.745201 0.031236 0.447934} Si1351 4047 0.0 -1 14 {} Si 0.0 {0.755191 0.0269864 0.523833} Si1352 4048 0.0 -1 8 {} O 0.0 {0.744287 0.996308 0.409881} O2697 4049 0.0 -1 8 {} O 0.0 {0.754386 0.0132794 0.559935} O2698 4050 0.0 -1 8 {} O 0.0 {0.745613 0.0208956 0.391232} O2699 4051 0.0 -1 8 {} O 0.0 {0.756847 0.0368363 0.575494} O2700 4052 0.0 -1 8 {} O 0.0 {0.760224 0.0259117 0.480502} O2701 4053 0.0 -1 8 {} O 0.0 {0.750668 0.0323696 0.480298} O2702 4054 0.0 -1 8 {} O 0.0 {0.749758 0.00156439 0.652701} O2703 4055 0.0 -1 8 {} O 0.0 {0.738984 0.00336047 0.671317} O2704 4056 0.0 -1 14 {} Si 0.0 {0.744617 0.0047389 0.701405} Si1353 4057 0.0 -1 14 {} Si 0.0 {0.755809 0.00610125 0.949329} Si1354 4058 0.0 -1 14 {} Si 0.0 {0.746053 0.0304829 0.778644} Si1355 4059 0.0 -1 14 {} Si 0.0 {0.755684 0.0323386 0.872086} Si1356 4060 0.0 -1 8 {} O 0.0 {0.745041 0.994974 0.757467} O2705 4061 0.0 -1 8 {} O 0.0 {0.754885 0.0201998 0.917336} O2706 4062 0.0 -1 8 {} O 0.0 {0.745385 0.019138 0.728886} O2707 4063 0.0 -1 8 {} O 0.0 {0.755028 0.0465329 0.898719} O2708 4064 0.0 -1 8 {} O 0.0 {0.761047 0.0305303 0.83551} O2709 4065 0.0 -1 8 {} O 0.0 {0.751614 0.0305708 0.812188} O2710 4066 0.0 -1 8 {} O 0.0 {0.750452 0.00328023 0.985368} O2711 4067 0.0 -1 8 {} O 0.0 {0.740517 0.00758192 0.990893} O2712 4068 0.0 -1 14 {} Si 0.0 {0.745172 0.0575325 0.0296882} Si1357 4069 0.0 -1 14 {} Si 0.0 {0.755308 0.0552962 0.291764} Si1358 4070 0.0 -1 14 {} Si 0.0 {0.745369 0.0814735 0.114197} Si1359 4071 0.0 -1 14 {} Si 0.0 {0.755393 0.0798071 0.199367} Si1360 4072 0.0 -1 8 {} O 0.0 {0.745356 0.0473973 0.0859004} O2713 4073 0.0 -1 8 {} O 0.0 {0.754913 0.0694032 0.253125} O2714 4074 0.0 -1 8 {} O 0.0 {0.744239 0.0718532 0.0582064} O2715 4075 0.0 -1 8 {} O 0.0 {0.755171 0.0938437 0.228649} O2716 4076 0.0 -1 8 {} O 0.0 {0.760754 0.0767493 0.166933} O2717 4077 0.0 -1 8 {} O 0.0 {0.751022 0.0807701 0.147986} O2718 4078 0.0 -1 8 {} O 0.0 {0.750523 0.052488 0.337301} O2719 4079 0.0 -1 8 {} O 0.0 {0.74052 0.0547169 0.309107} O2720 4080 0.0 -1 14 {} Si 0.0 {0.7449 0.0554647 0.364087} Si1361 4081 0.0 -1 14 {} Si 0.0 {0.756146 0.0510523 0.606321} Si1362 4082 0.0 -1 14 {} Si 0.0 {0.746266 0.0800992 0.442} Si1363 4083 0.0 -1 14 {} Si 0.0 {0.756549 0.0765749 0.523113} Si1364 4084 0.0 -1 8 {} O 0.0 {0.743816 0.0447894 0.415096} O2721 4085 0.0 -1 8 {} O 0.0 {0.756585 0.0617721 0.551257} O2722 4086 0.0 -1 8 {} O 0.0 {0.74502 0.0700755 0.387541} O2723 4087 0.0 -1 8 {} O 0.0 {0.755519 0.0854822 0.582736} O2724 4088 0.0 -1 8 {} O 0.0 {0.762086 0.0796781 0.49027} O2725 4089 0.0 -1 8 {} O 0.0 {0.752116 0.0778829 0.471141} O2726 4090 0.0 -1 8 {} O 0.0 {0.750359 0.0527804 0.635859} O2727 4091 0.0 -1 8 {} O 0.0 {0.740269 0.0553844 0.655793} O2728 4092 0.0 -1 14 {} Si 0.0 {0.745922 0.0549714 0.686251} Si1365 4093 0.0 -1 14 {} Si 0.0 {0.755534 0.0576367 0.950779} Si1366 4094 0.0 -1 14 {} Si 0.0 {0.746104 0.0803573 0.761916} Si1367 4095 0.0 -1 14 {} Si 0.0 {0.755525 0.0815542 0.850904} Si1368 4096 0.0 -1 8 {} O 0.0 {0.745831 0.0432537 0.73475} O2729 4097 0.0 -1 8 {} O 0.0 {0.755665 0.0703624 0.905549} O2730 4098 0.0 -1 8 {} O 0.0 {0.747287 0.0681771 0.71818} O2731 4099 0.0 -1 8 {} O 0.0 {0.756689 0.0949234 0.88798} O2732 4100 0.0 -1 8 {} O 0.0 {0.759663 0.0797714 0.797492} O2733 4101 0.0 -1 8 {} O 0.0 {0.750075 0.0848823 0.81479} O2734 4102 0.0 -1 8 {} O 0.0 {0.75011 0.0587747 0.984803} O2735 4103 0.0 -1 8 {} O 0.0 {0.740003 0.05416 0.991615} O2736 4104 0.0 -1 14 {} Si 0.0 {0.765745 0.953928 0.0352452} Si1369 4105 0.0 -1 14 {} Si 0.0 {0.775305 0.953563 0.276977} Si1370 4106 0.0 -1 14 {} Si 0.0 {0.765749 0.980737 0.115457} Si1371 4107 0.0 -1 14 {} Si 0.0 {0.775985 0.97972 0.199174} Si1372 4108 0.0 -1 8 {} O 0.0 {0.76572 0.942407 0.0905377} O2737 4109 0.0 -1 8 {} O 0.0 {0.776182 0.966022 0.231586} O2738 4110 0.0 -1 8 {} O 0.0 {0.76682 0.967531 0.0716533} O2739 4111 0.0 -1 8 {} O 0.0 {0.77717 0.991401 0.24428} O2740 4112 0.0 -1 8 {} O 0.0 {0.780578 0.980076 0.145825} O2741 4113 0.0 -1 8 {} O 0.0 {0.770349 0.981877 0.166609} O2742 4114 0.0 -1 8 {} O 0.0 {0.769786 0.954561 0.308754} O2743 4115 0.0 -1 8 {} O 0.0 {0.759861 0.955302 0.347235} O2744 4116 0.0 -1 14 {} Si 0.0 {0.765892 0.954188 0.366996} Si1373 4117 0.0 -1 14 {} Si 0.0 {0.775298 0.956002 0.601263} Si1374 4118 0.0 -1 14 {} Si 0.0 {0.765308 0.979602 0.441407} Si1375 4119 0.0 -1 14 {} Si 0.0 {0.774802 0.982346 0.536569} Si1376 4120 0.0 -1 8 {} O 0.0 {0.765559 0.940073 0.392973} O2745 4121 0.0 -1 8 {} O 0.0 {0.773795 0.971098 0.584505} O2746 4122 0.0 -1 8 {} O 0.0 {0.766894 0.964964 0.420802} O2747 4123 0.0 -1 8 {} O 0.0 {0.775765 0.996059 0.566471} O2748 4124 0.0 -1 8 {} O 0.0 {0.779693 0.977216 0.495786} O2749 4125 0.0 -1 8 {} O 0.0 {0.769504 0.983527 0.493259} O2750 4126 0.0 -1 8 {} O 0.0 {0.770848 0.951511 0.651523} O2751 4127 0.0 -1 8 {} O 0.0 {0.760359 0.957339 0.647533} O2752 4128 0.0 -1 14 {} Si 0.0 {0.765329 0.954025 0.690394} Si1377 4129 0.0 -1 14 {} Si 0.0 {0.775794 0.952299 0.954643} Si1378 4130 0.0 -1 14 {} Si 0.0 {0.766025 0.977454 0.781596} Si1379 4131 0.0 -1 14 {} Si 0.0 {0.775811 0.978126 0.87373} Si1380 4132 0.0 -1 8 {} O 0.0 {0.764325 0.940409 0.730498} O2753 4133 0.0 -1 8 {} O 0.0 {0.775529 0.966559 0.921835} O2754 4134 0.0 -1 8 {} O 0.0 {0.766417 0.963524 0.749005} O2755 4135 0.0 -1 8 {} O 0.0 {0.776838 0.991675 0.906013} O2756 4136 0.0 -1 8 {} O 0.0 {0.780354 0.973963 0.827785} O2757 4137 0.0 -1 8 {} O 0.0 {0.770326 0.979775 0.833262} O2758 4138 0.0 -1 8 {} O 0.0 {0.77063 0.950217 0.991246} O2759 4139 0.0 -1 8 {} O 0.0 {0.760244 0.951867 0.999224} O2760 4140 0.0 -1 14 {} Si 0.0 {0.76639 0.00648753 0.0313685} Si1381 4141 0.0 -1 14 {} Si 0.0 {0.775431 0.0050192 0.274515} Si1382 4142 0.0 -1 14 {} Si 0.0 {0.765728 0.0315304 0.114226} Si1383 4143 0.0 -1 14 {} Si 0.0 {0.775725 0.0299554 0.192811} Si1384 4144 0.0 -1 8 {} O 0.0 {0.765809 0.994072 0.0741635} O2761 4145 0.0 -1 8 {} O 0.0 {0.775063 0.016178 0.225446} O2762 4146 0.0 -1 8 {} O 0.0 {0.767246 0.0191303 0.0696039} O2763 4147 0.0 -1 8 {} O 0.0 {0.777137 0.0408447 0.242031} O2764 4148 0.0 -1 8 {} O 0.0 {0.780753 0.0287406 0.148078} O2765 4149 0.0 -1 8 {} O 0.0 {0.770926 0.0344432 0.153} O2766 4150 0.0 -1 8 {} O 0.0 {0.769819 0.00283279 0.309667} O2767 4151 0.0 -1 8 {} O 0.0 {0.760352 0.00900508 0.328712} O2768 4152 0.0 -1 14 {} Si 0.0 {0.765326 0.00380587 0.360353} Si1385 4153 0.0 -1 14 {} Si 0.0 {0.775345 0.00605457 0.622137} Si1386 4154 0.0 -1 14 {} Si 0.0 {0.76609 0.0273151 0.448143} Si1387 4155 0.0 -1 14 {} Si 0.0 {0.775788 0.0300375 0.530061} Si1388 4156 0.0 -1 8 {} O 0.0 {0.764303 0.989384 0.387819} O2769 4157 0.0 -1 8 {} O 0.0 {0.776299 0.0201538 0.587698} O2770 4158 0.0 -1 8 {} O 0.0 {0.767406 0.0137179 0.412372} O2771 4159 0.0 -1 8 {} O 0.0 {0.77646 0.0444515 0.559452} O2772 4160 0.0 -1 8 {} O 0.0 {0.780122 0.02785 0.481074} O2773 4161 0.0 -1 8 {} O 0.0 {0.770039 0.0279018 0.504352} O2774 4162 0.0 -1 8 {} O 0.0 {0.769516 0.00531864 0.655149} O2775 4163 0.0 -1 8 {} O 0.0 {0.759314 0.00511931 0.665661} O2776 4164 0.0 -1 14 {} Si 0.0 {0.764644 0.00321897 0.702409} Si1389 4165 0.0 -1 14 {} Si 0.0 {0.776746 0.00385639 0.948773} Si1390 4166 0.0 -1 14 {} Si 0.0 {0.765838 0.0280647 0.78309} Si1391 4167 0.0 -1 14 {} Si 0.0 {0.77588 0.029214 0.866595} Si1392 4168 0.0 -1 8 {} O 0.0 {0.765612 0.988793 0.733623} O2777 4169 0.0 -1 8 {} O 0.0 {0.776493 0.0168377 0.906023} O2778 4170 0.0 -1 8 {} O 0.0 {0.76602 0.0138974 0.752558} O2779 4171 0.0 -1 8 {} O 0.0 {0.775962 0.0414999 0.915976} O2780 4172 0.0 -1 8 {} O 0.0 {0.780914 0.0319805 0.826544} O2781 4173 0.0 -1 8 {} O 0.0 {0.771014 0.0307703 0.821699} O2782 4174 0.0 -1 8 {} O 0.0 {0.771271 0.00355334 0.985472} O2783 4175 0.0 -1 8 {} O 0.0 {0.761012 0.00782093 0.994437} O2784 4176 0.0 -1 14 {} Si 0.0 {0.76586 0.05755 0.032233} Si1393 4177 0.0 -1 14 {} Si 0.0 {0.775689 0.0540266 0.276499} Si1394 4178 0.0 -1 14 {} Si 0.0 {0.765835 0.0807181 0.124782} Si1395 4179 0.0 -1 14 {} Si 0.0 {0.776343 0.0796589 0.201311} Si1396 4180 0.0 -1 8 {} O 0.0 {0.764892 0.0441709 0.0687073} O2785 4181 0.0 -1 8 {} O 0.0 {0.775648 0.0650232 0.22302} O2786 4182 0.0 -1 8 {} O 0.0 {0.766773 0.0710166 0.0698713} O2787 4183 0.0 -1 8 {} O 0.0 {0.776272 0.0885016 0.263533} O2788 4184 0.0 -1 8 {} O 0.0 {0.781669 0.0823586 0.165511} O2789 4185 0.0 -1 8 {} O 0.0 {0.771105 0.0848108 0.165705} O2790 4186 0.0 -1 8 {} O 0.0 {0.770609 0.0538615 0.3184} O2791 4187 0.0 -1 8 {} O 0.0 {0.760519 0.0562038 0.332124} O2792 4188 0.0 -1 14 {} Si 0.0 {0.765686 0.0526418 0.367315} Si1397 4189 0.0 -1 14 {} Si 0.0 {0.776021 0.054401 0.615691} Si1398 4190 0.0 -1 14 {} Si 0.0 {0.767143 0.0765213 0.452668} Si1399 4191 0.0 -1 14 {} Si 0.0 {0.777214 0.0792562 0.537287} Si1400 4192 0.0 -1 8 {} O 0.0 {0.766102 0.0386399 0.398388} O2793 4193 0.0 -1 8 {} O 0.0 {0.77681 0.0692384 0.593029} O2794 4194 0.0 -1 8 {} O 0.0 {0.766968 0.0632946 0.419349} O2795 4195 0.0 -1 8 {} O 0.0 {0.777592 0.10068 0.554188} O2796 4196 0.0 -1 8 {} O 0.0 {0.781585 0.0767644 0.486367} O2797 4197 0.0 -1 8 {} O 0.0 {0.771858 0.07913 0.498946} O2798 4198 0.0 -1 8 {} O 0.0 {0.770444 0.0531994 0.648995} O2799 4199 0.0 -1 8 {} O 0.0 {0.76035 0.0557822 0.656139} O2800 4200 0.0 -1 14 {} Si 0.0 {0.765531 0.0529702 0.697956} Si1401 4201 0.0 -1 14 {} Si 0.0 {0.776283 0.0553095 0.953452} Si1402 4202 0.0 -1 14 {} Si 0.0 {0.765798 0.0781979 0.775258} Si1403 4203 0.0 -1 14 {} Si 0.0 {0.775688 0.0791212 0.856736} Si1404 4204 0.0 -1 8 {} O 0.0 {0.765587 0.0390171 0.728268} O2801 4205 0.0 -1 8 {} O 0.0 {0.776623 0.0662864 0.900602} O2802 4206 0.0 -1 8 {} O 0.0 {0.766462 0.0645428 0.743683} O2803 4207 0.0 -1 8 {} O 0.0 {0.775682 0.0915838 0.903178} O2804 4208 0.0 -1 8 {} O 0.0 {0.780055 0.0812368 0.804297} O2805 4209 0.0 -1 8 {} O 0.0 {0.770091 0.0804493 0.830873} O2806 4210 0.0 -1 8 {} O 0.0 {0.770815 0.0565316 0.985785} O2807 4211 0.0 -1 8 {} O 0.0 {0.76024 0.0583227 0.998008} O2808 4212 0.0 -1 14 {} Si 0.0 {0.785658 0.951193 0.0385461} Si1405 4213 0.0 -1 14 {} Si 0.0 {0.795631 0.955199 0.286534} Si1406 4214 0.0 -1 14 {} Si 0.0 {0.786178 0.978222 0.112766} Si1407 4215 0.0 -1 14 {} Si 0.0 {0.796365 0.978114 0.195237} Si1408 4216 0.0 -1 8 {} O 0.0 {0.78546 0.938277 0.0779202} O2809 4217 0.0 -1 8 {} O 0.0 {0.796556 0.96407 0.227998} O2810 4218 0.0 -1 8 {} O 0.0 {0.785435 0.963922 0.0828158} O2811 4219 0.0 -1 8 {} O 0.0 {0.796308 0.989711 0.243599} O2812 4220 0.0 -1 8 {} O 0.0 {0.801209 0.98075 0.151278} O2813 4221 0.0 -1 8 {} O 0.0 {0.791305 0.977479 0.153988} O2814 4222 0.0 -1 8 {} O 0.0 {0.789934 0.95693 0.310044} O2815 4223 0.0 -1 8 {} O 0.0 {0.779657 0.952862 0.33038} O2816 4224 0.0 -1 14 {} Si 0.0 {0.78518 0.95615 0.360319} Si1409 4225 0.0 -1 14 {} Si 0.0 {0.795364 0.952019 0.5998} Si1410 4226 0.0 -1 14 {} Si 0.0 {0.784394 0.980229 0.449451} Si1411 4227 0.0 -1 14 {} Si 0.0 {0.794855 0.978609 0.528681} Si1412 4228 0.0 -1 8 {} O 0.0 {0.787021 0.943651 0.406947} O2817 4229 0.0 -1 8 {} O 0.0 {0.795501 0.962906 0.547952} O2818 4230 0.0 -1 8 {} O 0.0 {0.78533 0.968143 0.402766} O2819 4231 0.0 -1 8 {} O 0.0 {0.794425 0.987661 0.588832} O2820 4232 0.0 -1 8 {} O 0.0 {0.800101 0.982781 0.491987} O2821 4233 0.0 -1 8 {} O 0.0 {0.789756 0.981926 0.487262} O2822 4234 0.0 -1 8 {} O 0.0 {0.790612 0.950259 0.650394} O2823 4235 0.0 -1 8 {} O 0.0 {0.781033 0.955394 0.627435} O2824 4236 0.0 -1 14 {} Si 0.0 {0.785363 0.954896 0.680403} Si1413 4237 0.0 -1 14 {} Si 0.0 {0.796154 0.951769 0.957977} Si1414 4238 0.0 -1 14 {} Si 0.0 {0.78542 0.9761 0.788105} Si1415 4239 0.0 -1 14 {} Si 0.0 {0.795838 0.976441 0.872554} Si1416 4240 0.0 -1 8 {} O 0.0 {0.784023 0.941709 0.717685} O2825 4241 0.0 -1 8 {} O 0.0 {0.795754 0.965935 0.929567} O2826 4242 0.0 -1 8 {} O 0.0 {0.786079 0.964443 0.743197} O2827 4243 0.0 -1 8 {} O 0.0 {0.796986 0.990074 0.902843} O2828 4244 0.0 -1 8 {} O 0.0 {0.800229 0.972201 0.826564} O2829 4245 0.0 -1 8 {} O 0.0 {0.790455 0.976006 0.832438} O2830 4246 0.0 -1 8 {} O 0.0 {0.791332 0.949592 0.00431334} O2831 4247 0.0 -1 8 {} O 0.0 {0.781271 0.949938 0.987424} O2832 4248 0.0 -1 14 {} Si 0.0 {0.787124 0.00288955 0.0334901} Si1417 4249 0.0 -1 14 {} Si 0.0 {0.794942 0.00169538 0.287075} Si1418 4250 0.0 -1 14 {} Si 0.0 {0.786189 0.0275974 0.111263} Si1419 4251 0.0 -1 14 {} Si 0.0 {0.796008 0.0264229 0.200028} Si1420 4252 0.0 -1 8 {} O 0.0 {0.787179 0.988107 0.0567992} O2833 4253 0.0 -1 8 {} O 0.0 {0.794963 0.0149494 0.248605} O2834 4254 0.0 -1 8 {} O 0.0 {0.787506 0.0130995 0.0874164} O2835 4255 0.0 -1 8 {} O 0.0 {0.797601 0.0381491 0.244476} O2836 4256 0.0 -1 8 {} O 0.0 {0.800201 0.0238001 0.148854} O2837 4257 0.0 -1 8 {} O 0.0 {0.7909 0.0299839 0.161589} O2838 4258 0.0 -1 8 {} O 0.0 {0.789686 0.999158 0.323825} O2839 4259 0.0 -1 8 {} O 0.0 {0.780266 0.0080544 0.319475} O2840 4260 0.0 -1 14 {} Si 0.0 {0.785022 0.00410163 0.36605} Si1421 4261 0.0 -1 14 {} Si 0.0 {0.795055 0.00130194 0.622119} Si1422 4262 0.0 -1 14 {} Si 0.0 {0.785896 0.0288757 0.451588} Si1423 4263 0.0 -1 14 {} Si 0.0 {0.795432 0.0267055 0.542361} Si1424 4264 0.0 -1 8 {} O 0.0 {0.782979 0.992636 0.411998} O2841 4265 0.0 -1 8 {} O 0.0 {0.795568 0.0123588 0.568343} O2842 4266 0.0 -1 8 {} O 0.0 {0.787 0.015741 0.411748} O2843 4267 0.0 -1 8 {} O 0.0 {0.795587 0.0371357 0.597894} O2844 4268 0.0 -1 8 {} O 0.0 {0.800367 0.0287095 0.497852} O2845 4269 0.0 -1 8 {} O 0.0 {0.790394 0.0288941 0.501764} O2846 4270 0.0 -1 8 {} O 0.0 {0.789852 0.00300298 0.659608} O2847 4271 0.0 -1 8 {} O 0.0 {0.779771 0.00351524 0.670367} O2848 4272 0.0 -1 14 {} Si 0.0 {0.785091 0.00188183 0.710512} Si1425 4273 0.0 -1 14 {} Si 0.0 {0.796948 0.00293258 0.947199} Si1426 4274 0.0 -1 14 {} Si 0.0 {0.785991 0.0276644 0.788663} Si1427 4275 0.0 -1 14 {} Si 0.0 {0.796176 0.0285843 0.872241} Si1428 4276 0.0 -1 8 {} O 0.0 {0.785265 0.989638 0.751333} O2849 4277 0.0 -1 8 {} O 0.0 {0.797994 0.014273 0.899933} O2850 4278 0.0 -1 8 {} O 0.0 {0.785238 0.0139076 0.757105} O2851 4279 0.0 -1 8 {} O 0.0 {0.796174 0.0386324 0.928065} O2852 4280 0.0 -1 8 {} O 0.0 {0.800572 0.0324391 0.820338} O2853 4281 0.0 -1 8 {} O 0.0 {0.790753 0.0270973 0.836171} O2854 4282 0.0 -1 8 {} O 0.0 {0.791453 0.00405576 0.980772} O2855 4283 0.0 -1 8 {} O 0.0 {0.78161 0.00516702 0.993231} O2856 4284 0.0 -1 14 {} Si 0.0 {0.785999 0.0530685 0.0379735} Si1429 4285 0.0 -1 14 {} Si 0.0 {0.796094 0.0515324 0.276223} Si1430 4286 0.0 -1 14 {} Si 0.0 {0.78621 0.0784775 0.118639} Si1431 4287 0.0 -1 14 {} Si 0.0 {0.796063 0.0781879 0.206627} Si1432 4288 0.0 -1 8 {} O 0.0 {0.786538 0.0378058 0.0577443} O2857 4289 0.0 -1 8 {} O 0.0 {0.79597 0.0633848 0.228551} O2858 4290 0.0 -1 8 {} O 0.0 {0.786374 0.0636278 0.0947517} O2859 4291 0.0 -1 8 {} O 0.0 {0.794482 0.0876877 0.262711} O2860 4292 0.0 -1 8 {} O 0.0 {0.801723 0.0821258 0.180854} O2861 4293 0.0 -1 8 {} O 0.0 {0.791525 0.0825766 0.159546} O2862 4294 0.0 -1 8 {} O 0.0 {0.790579 0.0511163 0.314616} O2863 4295 0.0 -1 8 {} O 0.0 {0.780318 0.0558835 0.32906} O2864 4296 0.0 -1 14 {} Si 0.0 {0.785848 0.0536417 0.364028} Si1433 4297 0.0 -1 14 {} Si 0.0 {0.795662 0.0520292 0.616807} Si1434 4298 0.0 -1 14 {} Si 0.0 {0.786851 0.0784861 0.447029} Si1435 4299 0.0 -1 14 {} Si 0.0 {0.796359 0.0772558 0.536196} Si1436 4300 0.0 -1 8 {} O 0.0 {0.785746 0.0419695 0.409115} O2865 4301 0.0 -1 8 {} O 0.0 {0.796147 0.0620611 0.560841} O2866 4302 0.0 -1 8 {} O 0.0 {0.786788 0.0667303 0.399422} O2867 4303 0.0 -1 8 {} O 0.0 {0.795647 0.0850738 0.602286} O2868 4304 0.0 -1 8 {} O 0.0 {0.801564 0.0825652 0.500889} O2869 4305 0.0 -1 8 {} O 0.0 {0.791315 0.0816344 0.496349} O2870 4306 0.0 -1 8 {} O 0.0 {0.7903 0.0552043 0.654289} O2871 4307 0.0 -1 8 {} O 0.0 {0.78046 0.0517897 0.663084} O2872 4308 0.0 -1 14 {} Si 0.0 {0.785881 0.0515153 0.703422} Si1437 4309 0.0 -1 14 {} Si 0.0 {0.796303 0.0529409 0.955767} Si1438 4310 0.0 -1 14 {} Si 0.0 {0.785832 0.0781835 0.778514} Si1439 4311 0.0 -1 14 {} Si 0.0 {0.795725 0.0774937 0.861843} Si1440 4312 0.0 -1 8 {} O 0.0 {0.786691 0.0379905 0.735099} O2873 4313 0.0 -1 8 {} O 0.0 {0.796036 0.062979 0.895658} O2874 4314 0.0 -1 8 {} O 0.0 {0.785975 0.0636339 0.749924} O2875 4315 0.0 -1 8 {} O 0.0 {0.797072 0.0868662 0.919669} O2876 4316 0.0 -1 8 {} O 0.0 {0.800049 0.0808717 0.807237} O2877 4317 0.0 -1 8 {} O 0.0 {0.790155 0.0800706 0.829655} O2878 4318 0.0 -1 8 {} O 0.0 {0.791006 0.0560365 0.990799} O2879 4319 0.0 -1 8 {} O 0.0 {0.780697 0.0557595 0.00255624} O2880 4320 0.0 -1 14 {} Si 0.0 {0.806567 0.95387 0.0306497} Si1441 4321 0.0 -1 14 {} Si 0.0 {0.81578 0.95408 0.292344} Si1442 4322 0.0 -1 14 {} Si 0.0 {0.806419 0.97858 0.111613} Si1443 4323 0.0 -1 14 {} Si 0.0 {0.816377 0.97731 0.202244} Si1444 4324 0.0 -1 8 {} O 0.0 {0.808309 0.945188 0.0875593} O2881 4325 0.0 -1 8 {} O 0.0 {0.817011 0.964633 0.242137} O2882 4326 0.0 -1 8 {} O 0.0 {0.805774 0.967926 0.0596101} O2883 4327 0.0 -1 8 {} O 0.0 {0.814554 0.988814 0.244294} O2884 4328 0.0 -1 8 {} O 0.0 {0.82178 0.98019 0.166033} O2885 4329 0.0 -1 8 {} O 0.0 {0.811305 0.974252 0.15655} O2886 4330 0.0 -1 8 {} O 0.0 {0.810524 0.95684 0.326186} O2887 4331 0.0 -1 8 {} O 0.0 {0.800383 0.958188 0.338171} O2888 4332 0.0 -1 14 {} Si 0.0 {0.805891 0.958259 0.373862} Si1445 4333 0.0 -1 14 {} Si 0.0 {0.815796 0.954155 0.613845} Si1446 4334 0.0 -1 14 {} Si 0.0 {0.805763 0.98295 0.461266} Si1447 4335 0.0 -1 14 {} Si 0.0 {0.815417 0.981203 0.552194} Si1448 4336 0.0 -1 8 {} O 0.0 {0.806618 0.947339 0.429181} O2889 4337 0.0 -1 8 {} O 0.0 {0.815398 0.969147 0.597701} O2890 4338 0.0 -1 8 {} O 0.0 {0.806094 0.971826 0.40812} O2891 4339 0.0 -1 8 {} O 0.0 {0.815995 0.99402 0.592754} O2892 4340 0.0 -1 8 {} O 0.0 {0.819853 0.977932 0.50122} O2893 4341 0.0 -1 8 {} O 0.0 {0.810128 0.980353 0.509548} O2894 4342 0.0 -1 8 {} O 0.0 {0.810859 0.95068 0.654471} O2895 4343 0.0 -1 8 {} O 0.0 {0.80094 0.95421 0.632681} O2896 4344 0.0 -1 14 {} Si 0.0 {0.805174 0.952334 0.684101} Si1449 4345 0.0 -1 14 {} Si 0.0 {0.816301 0.954096 0.941517} Si1450 4346 0.0 -1 14 {} Si 0.0 {0.805168 0.975186 0.782999} Si1451 4347 0.0 -1 14 {} Si 0.0 {0.815382 0.978898 0.864026} Si1452 4348 0.0 -1 8 {} O 0.0 {0.804428 0.937969 0.715244} O2897 4349 0.0 -1 8 {} O 0.0 {0.815711 0.968567 0.920126} O2898 4350 0.0 -1 8 {} O 0.0 {0.805458 0.963899 0.734266} O2899 4351 0.0 -1 8 {} O 0.0 {0.815206 0.993214 0.885918} O2900 4352 0.0 -1 8 {} O 0.0 {0.820498 0.977771 0.818959} O2901 4353 0.0 -1 8 {} O 0.0 {0.810391 0.974643 0.821751} O2902 4354 0.0 -1 8 {} O 0.0 {0.8113 0.950544 0.980738} O2903 4355 0.0 -1 8 {} O 0.0 {0.801035 0.949403 0.00219069} O2904 4356 0.0 -1 14 {} Si 0.0 {0.806897 0.00413023 0.0346956} Si1453 4357 0.0 -1 14 {} Si 0.0 {0.815059 0.00126674 0.286824} Si1454 4358 0.0 -1 14 {} Si 0.0 {0.805825 0.0276202 0.120271} Si1455 4359 0.0 -1 14 {} Si 0.0 {0.815565 0.0273311 0.207099} Si1456 4360 0.0 -1 8 {} O 0.0 {0.807936 0.991926 0.0765291} O2905 4361 0.0 -1 8 {} O 0.0 {0.815736 0.0137394 0.240642} O2906 4362 0.0 -1 8 {} O 0.0 {0.808026 0.0171178 0.0726725} O2907 4363 0.0 -1 8 {} O 0.0 {0.815596 0.0384281 0.260005} O2908 4364 0.0 -1 8 {} O 0.0 {0.820394 0.0294982 0.162339} O2909 4365 0.0 -1 8 {} O 0.0 {0.809889 0.0281687 0.174035} O2910 4366 0.0 -1 8 {} O 0.0 {0.809766 0.00383698 0.324984} O2911 4367 0.0 -1 8 {} O 0.0 {0.799413 0.00237472 0.33629} O2912 4368 0.0 -1 14 {} Si 0.0 {0.804927 0.00643481 0.371737} Si1457 4369 0.0 -1 14 {} Si 0.0 {0.814568 0.00670858 0.63237} Si1458 4370 0.0 -1 14 {} Si 0.0 {0.804874 0.0316749 0.448842} Si1459 4371 0.0 -1 14 {} Si 0.0 {0.814938 0.0273174 0.529803} Si1460 4372 0.0 -1 8 {} O 0.0 {0.805921 0.997225 0.433403} O2913 4373 0.0 -1 8 {} O 0.0 {0.812908 0.0172281 0.582342} O2914 4374 0.0 -1 8 {} O 0.0 {0.804434 0.0211743 0.397381} O2915 4375 0.0 -1 8 {} O 0.0 {0.816656 0.0390942 0.573598} O2916 4376 0.0 -1 8 {} O 0.0 {0.820181 0.0232688 0.494421} O2917 4377 0.0 -1 8 {} O 0.0 {0.810167 0.030774 0.485891} O2918 4378 0.0 -1 8 {} O 0.0 {0.809872 0.00224379 0.675403} O2919 4379 0.0 -1 8 {} O 0.0 {0.799917 0.00207461 0.666388} O2920 4380 0.0 -1 14 {} Si 0.0 {0.804559 0.00218132 0.715613} Si1461 4381 0.0 -1 14 {} Si 0.0 {0.816365 0.00438314 0.936819} Si1462 4382 0.0 -1 14 {} Si 0.0 {0.805579 0.0297394 0.780382} Si1463 4383 0.0 -1 14 {} Si 0.0 {0.815626 0.0321017 0.868919} Si1464 4384 0.0 -1 8 {} O 0.0 {0.804155 0.989155 0.753819} O2921 4385 0.0 -1 8 {} O 0.0 {0.816472 0.0187877 0.905003} O2922 4386 0.0 -1 8 {} O 0.0 {0.805074 0.01501 0.758191} O2923 4387 0.0 -1 8 {} O 0.0 {0.814577 0.0435705 0.916664} O2924 4388 0.0 -1 8 {} O 0.0 {0.820541 0.0353832 0.828814} O2925 4389 0.0 -1 8 {} O 0.0 {0.81047 0.0304895 0.826666} O2926 4390 0.0 -1 8 {} O 0.0 {0.811354 0.00382974 0.981422} O2927 4391 0.0 -1 8 {} O 0.0 {0.801323 0.00356361 0.999593} O2928 4392 0.0 -1 14 {} Si 0.0 {0.805186 0.054566 0.0510484} Si1465 4393 0.0 -1 14 {} Si 0.0 {0.815603 0.0519508 0.294242} Si1466 4394 0.0 -1 14 {} Si 0.0 {0.806505 0.0793422 0.133896} Si1467 4395 0.0 -1 14 {} Si 0.0 {0.817295 0.0756939 0.204756} Si1468 4396 0.0 -1 8 {} O 0.0 {0.804529 0.0409315 0.0860874} O2929 4397 0.0 -1 8 {} O 0.0 {0.817766 0.0624198 0.241667} O2930 4398 0.0 -1 8 {} O 0.0 {0.804912 0.0674696 0.0910906} O2931 4399 0.0 -1 8 {} O 0.0 {0.817716 0.0876837 0.252911} O2932 4400 0.0 -1 8 {} O 0.0 {0.822126 0.0792687 0.160127} O2933 4401 0.0 -1 8 {} O 0.0 {0.812082 0.0786668 0.167399} O2934 4402 0.0 -1 8 {} O 0.0 {0.810156 0.0550371 0.326818} O2935 4403 0.0 -1 8 {} O 0.0 {0.800026 0.0570966 0.33222} O2936 4404 0.0 -1 14 {} Si 0.0 {0.80527 0.0575437 0.371401} Si1469 4405 0.0 -1 14 {} Si 0.0 {0.816587 0.0520812 0.614273} Si1470 4406 0.0 -1 14 {} Si 0.0 {0.806112 0.0819937 0.453483} Si1471 4407 0.0 -1 14 {} Si 0.0 {0.815843 0.0777678 0.541119} Si1472 4408 0.0 -1 8 {} O 0.0 {0.80476 0.0465964 0.426955} O2937 4409 0.0 -1 8 {} O 0.0 {0.815834 0.0625194 0.557616} O2938 4410 0.0 -1 8 {} O 0.0 {0.80524 0.0716779 0.402519} O2939 4411 0.0 -1 8 {} O 0.0 {0.814642 0.0908199 0.624104} O2940 4412 0.0 -1 8 {} O 0.0 {0.820411 0.0796193 0.49387} O2941 4413 0.0 -1 8 {} O 0.0 {0.811037 0.0800235 0.496878} O2942 4414 0.0 -1 8 {} O 0.0 {0.81105 0.0540248 0.647503} O2943 4415 0.0 -1 8 {} O 0.0 {0.800538 0.0548068 0.660649} O2944 4416 0.0 -1 14 {} Si 0.0 {0.806065 0.0534352 0.693575} Si1473 4417 0.0 -1 14 {} Si 0.0 {0.815005 0.0554626 0.96245} Si1474 4418 0.0 -1 14 {} Si 0.0 {0.805726 0.0789186 0.776888} Si1475 4419 0.0 -1 14 {} Si 0.0 {0.815121 0.0794953 0.872714} Si1476 4420 0.0 -1 8 {} O 0.0 {0.806421 0.0398397 0.723692} O2945 4421 0.0 -1 8 {} O 0.0 {0.814783 0.0690118 0.925572} O2946 4422 0.0 -1 8 {} O 0.0 {0.806245 0.0639385 0.749594} O2947 4423 0.0 -1 8 {} O 0.0 {0.814118 0.0930646 0.911493} O2948 4424 0.0 -1 8 {} O 0.0 {0.820668 0.0823403 0.840335} O2949 4425 0.0 -1 8 {} O 0.0 {0.811314 0.0800396 0.814788} O2950 4426 0.0 -1 8 {} O 0.0 {0.811099 0.0547603 0.0223463} O2951 4427 0.0 -1 8 {} O 0.0 {0.801766 0.0560415 0.989407} O2952 4428 0.0 -1 14 {} Si 0.0 {0.826069 0.952662 0.0291413} Si1477 4429 0.0 -1 14 {} Si 0.0 {0.835617 0.954375 0.288946} Si1478 4430 0.0 -1 14 {} Si 0.0 {0.826067 0.976275 0.115329} Si1479 4431 0.0 -1 14 {} Si 0.0 {0.836285 0.977724 0.19508} Si1480 4432 0.0 -1 8 {} O 0.0 {0.826383 0.938821 0.0635092} O2953 4433 0.0 -1 8 {} O 0.0 {0.834613 0.964952 0.23393} O2954 4434 0.0 -1 8 {} O 0.0 {0.82433 0.962782 0.0803944} O2955 4435 0.0 -1 8 {} O 0.0 {0.83579 0.991182 0.230668} O2956 4436 0.0 -1 8 {} O 0.0 {0.841901 0.975965 0.163965} O2957 4437 0.0 -1 8 {} O 0.0 {0.832116 0.976217 0.138942} O2958 4438 0.0 -1 8 {} O 0.0 {0.830277 0.954288 0.328781} O2959 4439 0.0 -1 8 {} O 0.0 {0.820387 0.953411 0.340997} O2960 4440 0.0 -1 14 {} Si 0.0 {0.825992 0.951815 0.379572} Si1481 4441 0.0 -1 14 {} Si 0.0 {0.836159 0.952721 0.611668} Si1482 4442 0.0 -1 14 {} Si 0.0 {0.825206 0.976812 0.458939} Si1483 4443 0.0 -1 14 {} Si 0.0 {0.835309 0.979174 0.545052} Si1484 4444 0.0 -1 8 {} O 0.0 {0.825295 0.93749 0.403804} O2961 4445 0.0 -1 8 {} O 0.0 {0.834557 0.965068 0.574543} O2962 4446 0.0 -1 8 {} O 0.0 {0.825722 0.962704 0.434117} O2963 4447 0.0 -1 8 {} O 0.0 {0.834761 0.989586 0.600198} O2964 4448 0.0 -1 8 {} O 0.0 {0.840763 0.980401 0.50566} O2965 4449 0.0 -1 8 {} O 0.0 {0.830226 0.980252 0.49957} O2966 4450 0.0 -1 8 {} O 0.0 {0.83175 0.950679 0.662547} O2967 4451 0.0 -1 8 {} O 0.0 {0.820837 0.95159 0.652625} O2968 4452 0.0 -1 14 {} Si 0.0 {0.825993 0.954531 0.693044} Si1485 4453 0.0 -1 14 {} Si 0.0 {0.836145 0.956489 0.94771} Si1486 4454 0.0 -1 14 {} Si 0.0 {0.825342 0.979883 0.776456} Si1487 4455 0.0 -1 14 {} Si 0.0 {0.83501 0.981438 0.860166} Si1488 4456 0.0 -1 8 {} O 0.0 {0.825935 0.943332 0.748652} O2969 4457 0.0 -1 8 {} O 0.0 {0.836616 0.97043 0.914021} O2970 4458 0.0 -1 8 {} O 0.0 {0.825221 0.968559 0.723104} O2971 4459 0.0 -1 8 {} O 0.0 {0.83414 0.993442 0.904007} O2972 4460 0.0 -1 8 {} O 0.0 {0.840361 0.982105 0.822574} O2973 4461 0.0 -1 8 {} O 0.0 {0.830666 0.977344 0.81233} O2974 4462 0.0 -1 8 {} O 0.0 {0.831275 0.955949 0.993829} O2975 4463 0.0 -1 8 {} O 0.0 {0.821499 0.951297 0.976876} O2976 4464 0.0 -1 14 {} Si 0.0 {0.825553 0.00107476 0.0353774} Si1489 4465 0.0 -1 14 {} Si 0.0 {0.835976 0.00179034 0.282334} Si1490 4466 0.0 -1 14 {} Si 0.0 {0.824918 0.0249747 0.119894} Si1491 4467 0.0 -1 14 {} Si 0.0 {0.835068 0.0279036 0.204739} Si1492 4468 0.0 -1 8 {} O 0.0 {0.825796 0.986575 0.0576277} O2977 4469 0.0 -1 8 {} O 0.0 {0.836334 0.0155432 0.245822} O2978 4470 0.0 -1 8 {} O 0.0 {0.824247 0.0110311 0.0896189} O2979 4471 0.0 -1 8 {} O 0.0 {0.833342 0.0395731 0.24576} O2980 4472 0.0 -1 8 {} O 0.0 {0.840124 0.0319228 0.163351} O2981 4473 0.0 -1 8 {} O 0.0 {0.830302 0.0248984 0.159818} O2982 4474 0.0 -1 8 {} O 0.0 {0.830375 0.000278522 0.318885} O2983 4475 0.0 -1 8 {} O 0.0 {0.819964 0.00146171 0.333748} O2984 4476 0.0 -1 14 {} Si 0.0 {0.825538 0.00032483 0.364216} Si1493 4477 0.0 -1 14 {} Si 0.0 {0.835334 0.00360246 0.631188} Si1494 4478 0.0 -1 14 {} Si 0.0 {0.825644 0.0239282 0.458669} Si1495 4479 0.0 -1 14 {} Si 0.0 {0.835381 0.02774 0.549315} Si1496 4480 0.0 -1 8 {} O 0.0 {0.825224 0.986388 0.40036} O2985 4481 0.0 -1 8 {} O 0.0 {0.836881 0.0153739 0.585044} O2986 4482 0.0 -1 8 {} O 0.0 {0.826406 0.0122194 0.413971} O2987 4483 0.0 -1 8 {} O 0.0 {0.834264 0.0402415 0.588466} O2988 4484 0.0 -1 8 {} O 0.0 {0.839759 0.0316771 0.499102} O2989 4485 0.0 -1 8 {} O 0.0 {0.830182 0.0238954 0.507662} O2990 4486 0.0 -1 8 {} O 0.0 {0.830014 0.00713807 0.665588} O2991 4487 0.0 -1 8 {} O 0.0 {0.819672 0.00988346 0.67166} O2992 4488 0.0 -1 14 {} Si 0.0 {0.824907 0.00664497 0.707537} Si1497 4489 0.0 -1 14 {} Si 0.0 {0.835736 0.00385406 0.953821} Si1498 4490 0.0 -1 14 {} Si 0.0 {0.82584 0.0322305 0.792124} Si1499 4491 0.0 -1 14 {} Si 0.0 {0.8364 0.0304979 0.874017} Si1500 4492 0.0 -1 8 {} O 0.0 {0.824901 0.993559 0.744899} O2993 4493 0.0 -1 8 {} O 0.0 {0.836149 0.0175554 0.916412} O2994 4494 0.0 -1 8 {} O 0.0 {0.825555 0.0182842 0.756202} O2995 4495 0.0 -1 8 {} O 0.0 {0.837143 0.0438559 0.908173} O2996 4496 0.0 -1 8 {} O 0.0 {0.840463 0.0285829 0.818319} O2997 4497 0.0 -1 8 {} O 0.0 {0.830461 0.0320874 0.843735} O2998 4498 0.0 -1 8 {} O 0.0 {0.831139 0.00567002 0.005487} O2999 4499 0.0 -1 8 {} O 0.0 {0.821458 0.00207484 0.977164} O3000 4500 0.0 -1 14 {} Si 0.0 {0.825593 0.0497793 0.0378159} Si1501 4501 0.0 -1 14 {} Si 0.0 {0.834468 0.051339 0.294586} Si1502 4502 0.0 -1 14 {} Si 0.0 {0.826257 0.076116 0.107254} Si1503 4503 0.0 -1 14 {} Si 0.0 {0.835411 0.0769571 0.207066} Si1504 4504 0.0 -1 8 {} O 0.0 {0.825446 0.035085 0.0651928} O3001 4505 0.0 -1 8 {} O 0.0 {0.834784 0.0638324 0.252414} O3002 4506 0.0 -1 8 {} O 0.0 {0.825817 0.0611927 0.0893783} O3003 4507 0.0 -1 8 {} O 0.0 {0.834556 0.0895076 0.249039} O3004 4508 0.0 -1 8 {} O 0.0 {0.841455 0.0790613 0.180667} O3005 4509 0.0 -1 8 {} O 0.0 {0.831584 0.0778422 0.144476} O3006 4510 0.0 -1 8 {} O 0.0 {0.829624 0.0528073 0.338512} O3007 4511 0.0 -1 8 {} O 0.0 {0.819338 0.0518572 0.35182} O3008 4512 0.0 -1 14 {} Si 0.0 {0.824891 0.0506538 0.387487} Si1505 4513 0.0 -1 14 {} Si 0.0 {0.836123 0.0532606 0.619881} Si1506 4514 0.0 -1 14 {} Si 0.0 {0.825375 0.0771385 0.452049} Si1507 4515 0.0 -1 14 {} Si 0.0 {0.83556 0.0779292 0.531794} Si1508 4516 0.0 -1 8 {} O 0.0 {0.825275 0.0363743 0.418628} O3009 4517 0.0 -1 8 {} O 0.0 {0.83672 0.0645451 0.568949} O3010 4518 0.0 -1 8 {} O 0.0 {0.825616 0.0621415 0.436947} O3011 4519 0.0 -1 8 {} O 0.0 {0.835857 0.0904195 0.577486} O3012 4520 0.0 -1 8 {} O 0.0 {0.839599 0.0823952 0.477302} O3013 4521 0.0 -1 8 {} O 0.0 {0.829839 0.0789802 0.502498} O3014 4522 0.0 -1 8 {} O 0.0 {0.83206 0.0583268 0.674105} O3015 4523 0.0 -1 8 {} O 0.0 {0.822028 0.0553179 0.644078} O3016 4524 0.0 -1 14 {} Si 0.0 {0.826255 0.056596 0.702523} Si1509 4525 0.0 -1 14 {} Si 0.0 {0.83562 0.0559501 0.950549} Si1510 4526 0.0 -1 14 {} Si 0.0 {0.824478 0.0813763 0.779903} Si1511 4527 0.0 -1 14 {} Si 0.0 {0.834253 0.0811652 0.86527} Si1512 4528 0.0 -1 8 {} O 0.0 {0.82626 0.0435374 0.740638} O3017 4529 0.0 -1 8 {} O 0.0 {0.833223 0.0680986 0.912112} O3018 4530 0.0 -1 8 {} O 0.0 {0.824241 0.0684953 0.742111} O3019 4531 0.0 -1 8 {} O 0.0 {0.833822 0.0958193 0.892751} O3020 4532 0.0 -1 8 {} O 0.0 {0.839463 0.0766928 0.829672} O3021 4533 0.0 -1 8 {} O 0.0 {0.83004 0.0822266 0.810936} O3022 4534 0.0 -1 8 {} O 0.0 {0.831004 0.0525061 0.99802} O3023 4535 0.0 -1 8 {} O 0.0 {0.820769 0.0549437 0.99572} O3024 4536 0.0 -1 14 {} Si 0.0 {0.846675 0.953992 0.0181711} Si1513 4537 0.0 -1 14 {} Si 0.0 {0.856481 0.959242 0.288863} Si1514 4538 0.0 -1 14 {} Si 0.0 {0.846651 0.9769 0.112539} Si1515 4539 0.0 -1 14 {} Si 0.0 {0.856161 0.983047 0.201987} Si1516 4540 0.0 -1 8 {} O 0.0 {0.84614 0.942216 0.0707002} O3025 4541 0.0 -1 8 {} O 0.0 {0.857837 0.97253 0.25329} O3026 4542 0.0 -1 8 {} O 0.0 {0.846953 0.966455 0.0587077} O3027 4543 0.0 -1 8 {} O 0.0 {0.854614 0.996047 0.235913} O3028 4544 0.0 -1 8 {} O 0.0 {0.861664 0.984203 0.165573} O3029 4545 0.0 -1 8 {} O 0.0 {0.851994 0.978426 0.152871} O3030 4546 0.0 -1 8 {} O 0.0 {0.851201 0.961211 0.328436} O3031 4547 0.0 -1 8 {} O 0.0 {0.840732 0.957877 0.327971} O3032 4548 0.0 -1 14 {} Si 0.0 {0.845928 0.956497 0.36532} Si1517 4549 0.0 -1 14 {} Si 0.0 {0.856697 0.953215 0.628108} Si1518 4550 0.0 -1 14 {} Si 0.0 {0.845607 0.978793 0.462741} Si1519 4551 0.0 -1 14 {} Si 0.0 {0.856391 0.977178 0.540674} Si1520 4552 0.0 -1 8 {} O 0.0 {0.847379 0.942566 0.381236} O3033 4553 0.0 -1 8 {} O 0.0 {0.857797 0.964238 0.579696} O3034 4554 0.0 -1 8 {} O 0.0 {0.845067 0.965054 0.426045} O3035 4555 0.0 -1 8 {} O 0.0 {0.856397 0.990182 0.577873} O3036 4556 0.0 -1 8 {} O 0.0 {0.860017 0.977456 0.481126} O3037 4557 0.0 -1 8 {} O 0.0 {0.850619 0.976526 0.508394} O3038 4558 0.0 -1 8 {} O 0.0 {0.851615 0.957423 0.669945} O3039 4559 0.0 -1 8 {} O 0.0 {0.841792 0.954752 0.643291} O3040 4560 0.0 -1 14 {} Si 0.0 {0.84583 0.954657 0.698631} Si1521 4561 0.0 -1 14 {} Si 0.0 {0.856974 0.955885 0.938465} Si1522 4562 0.0 -1 14 {} Si 0.0 {0.845647 0.977702 0.790003} Si1523 4563 0.0 -1 14 {} Si 0.0 {0.855353 0.982306 0.877004} Si1524 4564 0.0 -1 8 {} O 0.0 {0.84554 0.939717 0.723438} O3041 4565 0.0 -1 8 {} O 0.0 {0.856084 0.970904 0.926679} O3042 4566 0.0 -1 8 {} O 0.0 {0.845219 0.9648 0.753368} O3043 4567 0.0 -1 8 {} O 0.0 {0.854233 0.996429 0.909224} O3044 4568 0.0 -1 8 {} O 0.0 {0.860178 0.983598 0.830087} O3045 4569 0.0 -1 8 {} O 0.0 {0.850506 0.978065 0.836514} O3046 4570 0.0 -1 8 {} O 0.0 {0.851516 0.950746 0.973417} O3047 4571 0.0 -1 8 {} O 0.0 {0.841354 0.952474 0.983547} O3048 4572 0.0 -1 14 {} Si 0.0 {0.845522 0.00481103 0.0379885} Si1525 4573 0.0 -1 14 {} Si 0.0 {0.855262 0.00645304 0.289804} Si1526 4574 0.0 -1 14 {} Si 0.0 {0.845025 0.0299194 0.115479} Si1527 4575 0.0 -1 14 {} Si 0.0 {0.855104 0.030458 0.198955} Si1528 4576 0.0 -1 8 {} O 0.0 {0.845559 0.992209 0.0877967} O3049 4577 0.0 -1 8 {} O 0.0 {0.854729 0.0196604 0.252042} O3050 4578 0.0 -1 8 {} O 0.0 {0.843311 0.017548 0.0733739} O3051 4579 0.0 -1 8 {} O 0.0 {0.853706 0.0447815 0.222914} O3052 4580 0.0 -1 8 {} O 0.0 {0.860278 0.0307763 0.158944} O3053 4581 0.0 -1 8 {} O 0.0 {0.85055 0.0279261 0.150095} O3054 4582 0.0 -1 8 {} O 0.0 {0.85052 0.00629534 0.33799} O3055 4583 0.0 -1 8 {} O 0.0 {0.840695 0.999405 0.325513} O3056 4584 0.0 -1 14 {} Si 0.0 {0.845192 0.00247424 0.373709} Si1529 4585 0.0 -1 14 {} Si 0.0 {0.855694 0.00411222 0.619488} Si1530 4586 0.0 -1 14 {} Si 0.0 {0.844547 0.0276002 0.454065} Si1531 4587 0.0 -1 14 {} Si 0.0 {0.854941 0.0279393 0.529956} Si1532 4588 0.0 -1 8 {} O 0.0 {0.846119 0.990275 0.414547} O3057 4589 0.0 -1 8 {} O 0.0 {0.856509 0.015716 0.57207} O3058 4590 0.0 -1 8 {} O 0.0 {0.843453 0.0143847 0.415181} O3059 4591 0.0 -1 8 {} O 0.0 {0.853654 0.0400594 0.574626} O3060 4592 0.0 -1 8 {} O 0.0 {0.859718 0.030866 0.485933} O3061 4593 0.0 -1 8 {} O 0.0 {0.849615 0.0243364 0.491148} O3062 4594 0.0 -1 8 {} O 0.0 {0.849992 0.00465164 0.647628} O3063 4595 0.0 -1 8 {} O 0.0 {0.839917 0.00345305 0.681495} O3064 4596 0.0 -1 14 {} Si 0.0 {0.845891 0.00203445 0.701257} Si1533 4597 0.0 -1 14 {} Si 0.0 {0.856057 0.00576717 0.966584} Si1534 4598 0.0 -1 14 {} Si 0.0 {0.846291 0.0274259 0.793039} Si1535 4599 0.0 -1 14 {} Si 0.0 {0.855939 0.0299693 0.876078} Si1536 4600 0.0 -1 8 {} O 0.0 {0.847116 0.988768 0.735659} O3065 4601 0.0 -1 8 {} O 0.0 {0.856964 0.0186573 0.927326} O3066 4602 0.0 -1 8 {} O 0.0 {0.846877 0.013764 0.752515} O3067 4603 0.0 -1 8 {} O 0.0 {0.856619 0.0439993 0.903601} O3068 4604 0.0 -1 8 {} O 0.0 {0.860198 0.0280948 0.821266} O3069 4605 0.0 -1 8 {} O 0.0 {0.85017 0.0282497 0.851164} O3070 4606 0.0 -1 8 {} O 0.0 {0.85119 0.00613007 0.0127313} O3071 4607 0.0 -1 8 {} O 0.0 {0.841408 0.00229074 0.986004} O3072 4608 0.0 -1 14 {} Si 0.0 {0.845543 0.0563445 0.0362359} Si1537 4609 0.0 -1 14 {} Si 0.0 {0.85458 0.0542998 0.284719} Si1538 4610 0.0 -1 14 {} Si 0.0 {0.845574 0.0802283 0.123507} Si1539 4611 0.0 -1 14 {} Si 0.0 {0.855583 0.0805162 0.20559} Si1540 4612 0.0 -1 8 {} O 0.0 {0.844982 0.042652 0.0727039} O3073 4613 0.0 -1 8 {} O 0.0 {0.855477 0.0675984 0.251427} O3074 4614 0.0 -1 8 {} O 0.0 {0.846184 0.0676774 0.0826608} O3075 4615 0.0 -1 8 {} O 0.0 {0.854133 0.0924073 0.2564} O3076 4616 0.0 -1 8 {} O 0.0 {0.860765 0.0862105 0.170067} O3077 4617 0.0 -1 8 {} O 0.0 {0.851172 0.0831759 0.152219} O3078 4618 0.0 -1 8 {} O 0.0 {0.849726 0.0564788 0.32826} O3079 4619 0.0 -1 8 {} O 0.0 {0.839707 0.050788 0.333492} O3080 4620 0.0 -1 14 {} Si 0.0 {0.845029 0.0527124 0.373623} Si1541 4621 0.0 -1 14 {} Si 0.0 {0.855415 0.0532201 0.60717} Si1542 4622 0.0 -1 14 {} Si 0.0 {0.844656 0.079454 0.436275} Si1543 4623 0.0 -1 14 {} Si 0.0 {0.854775 0.0774193 0.515187} Si1544 4624 0.0 -1 8 {} O 0.0 {0.845986 0.0388691 0.408868} O3081 4625 0.0 -1 8 {} O 0.0 {0.85501 0.0652184 0.560253} O3082 4626 0.0 -1 8 {} O 0.0 {0.844392 0.0642497 0.422599} O3083 4627 0.0 -1 8 {} O 0.0 {0.855631 0.0906855 0.557259} O3084 4628 0.0 -1 8 {} O 0.0 {0.859197 0.0780074 0.462523} O3085 4629 0.0 -1 8 {} O 0.0 {0.849392 0.0817145 0.479381} O3086 4630 0.0 -1 8 {} O 0.0 {0.851607 0.0561669 0.665651} O3087 4631 0.0 -1 8 {} O 0.0 {0.841461 0.0507205 0.657854} O3088 4632 0.0 -1 14 {} Si 0.0 {0.846315 0.0519834 0.704395} Si1545 4633 0.0 -1 14 {} Si 0.0 {0.855727 0.0552326 0.951826} Si1546 4634 0.0 -1 14 {} Si 0.0 {0.844798 0.0688836 0.821709} Si1547 4635 0.0 -1 14 {} Si 0.0 {0.855332 0.0797316 0.867243} Si1548 4636 0.0 -1 8 {} O 0.0 {0.847253 0.0403909 0.750857} O3089 4637 0.0 -1 8 {} O 0.0 {0.855957 0.0696905 0.923406} O3090 4638 0.0 -1 8 {} O 0.0 {0.845509 0.0646998 0.746601} O3091 4639 0.0 -1 8 {} O 0.0 {0.855452 0.093358 0.902589} O3092 4640 0.0 -1 8 {} O 0.0 {0.859432 0.0762951 0.81193} O3093 4641 0.0 -1 8 {} O 0.0 {0.8495 0.0787939 0.835274} O3094 4642 0.0 -1 8 {} O 0.0 {0.850471 0.053881 0.990835} O3095 4643 0.0 -1 8 {} O 0.0 {0.840576 0.0602266 0.987622} O3096 4644 0.0 -1 14 {} Si 0.0 {0.865614 0.95634 0.037818} Si1549 4645 0.0 -1 14 {} Si 0.0 {0.876181 0.950393 0.306171} Si1550 4646 0.0 -1 14 {} Si 0.0 {0.866841 0.980828 0.124673} Si1551 4647 0.0 -1 14 {} Si 0.0 {0.875666 0.975398 0.217397} Si1552 4648 0.0 -1 8 {} O 0.0 {0.864644 0.945629 0.0888362} O3097 4649 0.0 -1 8 {} O 0.0 {0.875273 0.96378 0.267526} O3098 4650 0.0 -1 8 {} O 0.0 {0.864872 0.96928 0.0804967} O3099 4651 0.0 -1 8 {} O 0.0 {0.874753 0.988918 0.254768} O3100 4652 0.0 -1 8 {} O 0.0 {0.881206 0.976135 0.179998} O3101 4653 0.0 -1 8 {} O 0.0 {0.871151 0.973883 0.166506} O3102 4654 0.0 -1 8 {} O 0.0 {0.870795 0.947452 0.345176} O3103 4655 0.0 -1 8 {} O 0.0 {0.861257 0.954361 0.334649} O3104 4656 0.0 -1 14 {} Si 0.0 {0.865881 0.951835 0.381837} Si1553 4657 0.0 -1 14 {} Si 0.0 {0.874677 0.95324 0.603333} Si1554 4658 0.0 -1 14 {} Si 0.0 {0.865723 0.97911 0.452035} Si1555 4659 0.0 -1 14 {} Si 0.0 {0.875779 0.979102 0.534227} Si1556 4660 0.0 -1 8 {} O 0.0 {0.863366 0.941296 0.425668} O3105 4661 0.0 -1 8 {} O 0.0 {0.874974 0.963999 0.55024} O3106 4662 0.0 -1 8 {} O 0.0 {0.867023 0.965331 0.417083} O3107 4663 0.0 -1 8 {} O 0.0 {0.87679 0.989856 0.586275} O3108 4664 0.0 -1 8 {} O 0.0 {0.880456 0.979444 0.482175} O3109 4665 0.0 -1 8 {} O 0.0 {0.870343 0.982296 0.497472} O3110 4666 0.0 -1 8 {} O 0.0 {0.87042 0.958731 0.653425} O3111 4667 0.0 -1 8 {} O 0.0 {0.861632 0.950958 0.673158} O3112 4668 0.0 -1 14 {} Si 0.0 {0.866573 0.955618 0.712757} Si1557 4669 0.0 -1 14 {} Si 0.0 {0.876037 0.95469 0.960875} Si1558 4670 0.0 -1 14 {} Si 0.0 {0.865309 0.980857 0.791599} Si1559 4671 0.0 -1 14 {} Si 0.0 {0.875223 0.979594 0.88213} Si1560 4672 0.0 -1 8 {} O 0.0 {0.869896 0.943952 0.73914} O3113 4673 0.0 -1 8 {} O 0.0 {0.875892 0.969047 0.934824} O3114 4674 0.0 -1 8 {} O 0.0 {0.865356 0.967654 0.753707} O3115 4675 0.0 -1 8 {} O 0.0 {0.87589 0.994249 0.902571} O3116 4676 0.0 -1 8 {} O 0.0 {0.879283 0.975688 0.827885} O3117 4677 0.0 -1 8 {} O 0.0 {0.869562 0.978726 0.847615} O3118 4678 0.0 -1 8 {} O 0.0 {0.871875 0.954393 0.0167654} O3119 4679 0.0 -1 8 {} O 0.0 {0.862154 0.953596 0.976247} O3120 4680 0.0 -1 14 {} Si 0.0 {0.866682 0.00500673 0.041751} Si1561 4681 0.0 -1 14 {} Si 0.0 {0.876073 0.0015745 0.291394} Si1562 4682 0.0 -1 14 {} Si 0.0 {0.865992 0.0303199 0.12704} Si1563 4683 0.0 -1 14 {} Si 0.0 {0.875655 0.0273359 0.21063} Si1564 4684 0.0 -1 8 {} O 0.0 {0.868265 0.992471 0.0794661} O3121 4685 0.0 -1 8 {} O 0.0 {0.876606 0.014206 0.242672} O3122 4686 0.0 -1 8 {} O 0.0 {0.866598 0.0175203 0.0852004} O3123 4687 0.0 -1 8 {} O 0.0 {0.876624 0.0398866 0.253957} O3124 4688 0.0 -1 8 {} O 0.0 {0.87981 0.0268666 0.152685} O3125 4689 0.0 -1 8 {} O 0.0 {0.869978 0.0273432 0.182201} O3126 4690 0.0 -1 8 {} O 0.0 {0.871002 0.00475599 0.33032} O3127 4691 0.0 -1 8 {} O 0.0 {0.860704 0.0058887 0.324659} O3128 4692 0.0 -1 14 {} Si 0.0 {0.865605 0.00309927 0.367993} Si1565 4693 0.0 -1 14 {} Si 0.0 {0.875586 0.00355166 0.620574} Si1566 4694 0.0 -1 14 {} Si 0.0 {0.865217 0.0267542 0.459205} Si1567 4695 0.0 -1 14 {} Si 0.0 {0.875769 0.0283361 0.536919} Si1568 4696 0.0 -1 8 {} O 0.0 {0.865064 0.988957 0.39367} O3129 4697 0.0 -1 8 {} O 0.0 {0.876672 0.0143863 0.569601} O3130 4698 0.0 -1 8 {} O 0.0 {0.864854 0.0131097 0.425158} O3131 4699 0.0 -1 8 {} O 0.0 {0.876308 0.0386472 0.59142} O3132 4700 0.0 -1 8 {} O 0.0 {0.87975 0.0304834 0.481223} O3133 4701 0.0 -1 8 {} O 0.0 {0.869822 0.0279838 0.508372} O3134 4702 0.0 -1 8 {} O 0.0 {0.869605 0.00310383 0.644816} O3135 4703 0.0 -1 8 {} O 0.0 {0.859702 0.00365624 0.673827} O3136 4704 0.0 -1 14 {} Si 0.0 {0.865628 0.00458895 0.700637} Si1569 4705 0.0 -1 14 {} Si 0.0 {0.875583 0.00624009 0.946848} Si1570 4706 0.0 -1 14 {} Si 0.0 {0.865369 0.0298859 0.781844} Si1571 4707 0.0 -1 14 {} Si 0.0 {0.875137 0.0331364 0.873664} Si1572 4708 0.0 -1 8 {} O 0.0 {0.866558 0.992904 0.749023} O3137 4709 0.0 -1 8 {} O 0.0 {0.876023 0.0191562 0.902508} O3138 4710 0.0 -1 8 {} O 0.0 {0.866224 0.0182756 0.737529} O3139 4711 0.0 -1 8 {} O 0.0 {0.875144 0.0439173 0.925407} O3140 4712 0.0 -1 8 {} O 0.0 {0.879798 0.0351493 0.825841} O3141 4713 0.0 -1 8 {} O 0.0 {0.870004 0.0324516 0.834213} O3142 4714 0.0 -1 8 {} O 0.0 {0.870092 0.0075054 0.979968} O3143 4715 0.0 -1 8 {} O 0.0 {0.861257 0.0023163 0.00401062} O3144 4716 0.0 -1 14 {} Si 0.0 {0.86548 0.0562338 0.0487302} Si1573 4717 0.0 -1 14 {} Si 0.0 {0.874988 0.0537622 0.282075} Si1574 4718 0.0 -1 14 {} Si 0.0 {0.865174 0.0826979 0.116139} Si1575 4719 0.0 -1 14 {} Si 0.0 {0.875508 0.0788508 0.193814} Si1576 4720 0.0 -1 8 {} O 0.0 {0.866922 0.0435729 0.0927093} O3145 4721 0.0 -1 8 {} O 0.0 {0.875275 0.064505 0.22837} O3146 4722 0.0 -1 8 {} O 0.0 {0.864165 0.0686837 0.0930334} O3147 4723 0.0 -1 8 {} O 0.0 {0.876339 0.0871859 0.256399} O3148 4724 0.0 -1 8 {} O 0.0 {0.880619 0.0819929 0.155588} O3149 4725 0.0 -1 8 {} O 0.0 {0.870677 0.0835801 0.147179} O3150 4726 0.0 -1 8 {} O 0.0 {0.869511 0.0535429 0.317709} O3151 4727 0.0 -1 8 {} O 0.0 {0.859855 0.0494678 0.320387} O3152 4728 0.0 -1 14 {} Si 0.0 {0.864957 0.0494618 0.364288} Si1577 4729 0.0 -1 14 {} Si 0.0 {0.875887 0.053609 0.615554} Si1578 4730 0.0 -1 14 {} Si 0.0 {0.864882 0.0754103 0.434222} Si1579 4731 0.0 -1 14 {} Si 0.0 {0.874746 0.0768222 0.518415} Si1580 4732 0.0 -1 8 {} O 0.0 {0.866187 0.0369253 0.403641} O3153 4733 0.0 -1 8 {} O 0.0 {0.875387 0.0634299 0.559363} O3154 4734 0.0 -1 8 {} O 0.0 {0.865087 0.0608609 0.415828} O3155 4735 0.0 -1 8 {} O 0.0 {0.874971 0.0890865 0.568584} O3156 4736 0.0 -1 8 {} O 0.0 {0.879606 0.0794222 0.476105} O3157 4737 0.0 -1 8 {} O 0.0 {0.869136 0.0773415 0.484929} O3158 4738 0.0 -1 8 {} O 0.0 {0.870829 0.054847 0.657335} O3159 4739 0.0 -1 8 {} O 0.0 {0.861019 0.0525869 0.643877} O3160 4740 0.0 -1 14 {} Si 0.0 {0.86534 0.0543661 0.694552} Si1581 4741 0.0 -1 14 {} Si 0.0 {0.875286 0.0567512 0.965001} Si1582 4742 0.0 -1 14 {} Si 0.0 {0.864744 0.0786183 0.77783} Si1583 4743 0.0 -1 14 {} Si 0.0 {0.875087 0.0782242 0.85699} Si1584 4744 0.0 -1 8 {} O 0.0 {0.865048 0.0434091 0.745395} O3161 4745 0.0 -1 8 {} O 0.0 {0.875625 0.0675541 0.911537} O3162 4746 0.0 -1 8 {} O 0.0 {0.864387 0.0685182 0.721338} O3163 4747 0.0 -1 8 {} O 0.0 {0.873175 0.0919295 0.89239} O3164 4748 0.0 -1 8 {} O 0.0 {0.879529 0.0835667 0.804177} O3165 4749 0.0 -1 8 {} O 0.0 {0.869896 0.075239 0.81513} O3166 4750 0.0 -1 8 {} O 0.0 {0.870676 0.0605446 0.00898702} O3167 4751 0.0 -1 8 {} O 0.0 {0.86039 0.0550103 0.00600609} O3168 4752 0.0 -1 14 {} Si 0.0 {0.885925 0.953604 0.0423425} Si1585 4753 0.0 -1 14 {} Si 0.0 {0.894486 0.955579 0.255181} Si1586 4754 0.0 -1 14 {} Si 0.0 {0.885157 0.978634 0.12356} Si1587 4755 0.0 -1 14 {} Si 0.0 {0.895584 0.982015 0.194064} Si1588 4756 0.0 -1 8 {} O 0.0 {0.884383 0.944325 0.101333} O3169 4757 0.0 -1 8 {} O 0.0 {0.893874 0.970408 0.240486} O3170 4758 0.0 -1 8 {} O 0.0 {0.885487 0.967475 0.0726581} O3171 4759 0.0 -1 8 {} O 0.0 {0.89687 0.994363 0.236587} O3172 4760 0.0 -1 8 {} O 0.0 {0.900017 0.976732 0.148702} O3173 4761 0.0 -1 8 {} O 0.0 {0.890605 0.983292 0.147954} O3174 4762 0.0 -1 8 {} O 0.0 {0.890007 0.951791 0.303493} O3175 4763 0.0 -1 8 {} O 0.0 {0.881133 0.949072 0.349185} O3176 4764 0.0 -1 14 {} Si 0.0 {0.887042 0.952598 0.370216} Si1589 4765 0.0 -1 14 {} Si 0.0 {0.894171 0.949414 0.63593} Si1590 4766 0.0 -1 14 {} Si 0.0 {0.886009 0.977486 0.454577} Si1591 4767 0.0 -1 14 {} Si 0.0 {0.894285 0.975905 0.563896} Si1592 4768 0.0 -1 8 {} O 0.0 {0.890674 0.942562 0.411586} O3177 4769 0.0 -1 8 {} O 0.0 {0.894211 0.963904 0.608972} O3178 4770 0.0 -1 8 {} O 0.0 {0.886657 0.966508 0.400485} O3179 4771 0.0 -1 8 {} O 0.0 {0.893647 0.990042 0.59755} O3180 4772 0.0 -1 8 {} O 0.0 {0.899737 0.977104 0.523776} O3181 4773 0.0 -1 8 {} O 0.0 {0.889827 0.974313 0.512252} O3182 4774 0.0 -1 8 {} O 0.0 {0.889205 0.948403 0.679879} O3183 4775 0.0 -1 8 {} O 0.0 {0.880114 0.9537 0.63781} O3184 4776 0.0 -1 14 {} Si 0.0 {0.883505 0.952734 0.703925} Si1593 4777 0.0 -1 14 {} Si 0.0 {0.896135 0.952497 0.966469} Si1594 4778 0.0 -1 14 {} Si 0.0 {0.884907 0.976921 0.787599} Si1595 4779 0.0 -1 14 {} Si 0.0 {0.894468 0.976399 0.873687} Si1596 4780 0.0 -1 8 {} O 0.0 {0.879773 0.942946 0.743527} O3185 4781 0.0 -1 8 {} O 0.0 {0.894912 0.965323 0.924021} O3186 4782 0.0 -1 8 {} O 0.0 {0.883541 0.966891 0.734373} O3187 4783 0.0 -1 8 {} O 0.0 {0.89332 0.990272 0.90652} O3188 4784 0.0 -1 8 {} O 0.0 {0.90003 0.977178 0.839318} O3189 4785 0.0 -1 8 {} O 0.0 {0.88979 0.973238 0.828934} O3190 4786 0.0 -1 8 {} O 0.0 {0.891451 0.949038 0.012017} O3191 4787 0.0 -1 8 {} O 0.0 {0.881468 0.952481 0.989731} O3192 4788 0.0 -1 14 {} Si 0.0 {0.885014 0.00315439 0.0430097} Si1597 4789 0.0 -1 14 {} Si 0.0 {0.896203 0.00541305 0.289905} Si1598 4790 0.0 -1 14 {} Si 0.0 {0.885558 0.0289963 0.122464} Si1599 4791 0.0 -1 14 {} Si 0.0 {0.895265 0.0308874 0.206498} Si1600 4792 0.0 -1 8 {} O 0.0 {0.88312 0.991664 0.0860203} O3193 4793 0.0 -1 8 {} O 0.0 {0.89477 0.0178954 0.24863} O3194 4794 0.0 -1 8 {} O 0.0 {0.886062 0.0151566 0.0886849} O3195 4795 0.0 -1 8 {} O 0.0 {0.896316 0.0435656 0.24791} O3196 4796 0.0 -1 8 {} O 0.0 {0.899478 0.0283766 0.152043} O3197 4797 0.0 -1 8 {} O 0.0 {0.889571 0.0325684 0.174581} O3198 4798 0.0 -1 8 {} O 0.0 {0.891418 0.00269198 0.335389} O3199 4799 0.0 -1 8 {} O 0.0 {0.880844 0.999828 0.334565} O3200 4800 0.0 -1 14 {} Si 0.0 {0.885893 0.00236881 0.375937} Si1601 4801 0.0 -1 14 {} Si 0.0 {0.893563 0.00464945 0.624483} Si1602 4802 0.0 -1 14 {} Si 0.0 {0.88516 0.0289383 0.448138} Si1603 4803 0.0 -1 14 {} Si 0.0 {0.894581 0.0289472 0.543165} Si1604 4804 0.0 -1 8 {} O 0.0 {0.887319 0.991193 0.424389} O3201 4805 0.0 -1 8 {} O 0.0 {0.892625 0.015932 0.575775} O3202 4806 0.0 -1 8 {} O 0.0 {0.885657 0.0157078 0.411618} O3203 4807 0.0 -1 8 {} O 0.0 {0.895356 0.0398352 0.595401} O3204 4808 0.0 -1 8 {} O 0.0 {0.89966 0.0253155 0.500597} O3205 4809 0.0 -1 8 {} O 0.0 {0.890091 0.0315242 0.490417} O3206 4810 0.0 -1 8 {} O 0.0 {0.889522 0.00575598 0.679424} O3207 4811 0.0 -1 8 {} O 0.0 {0.879471 0.00480768 0.681075} O3208 4812 0.0 -1 14 {} Si 0.0 {0.884497 0.004094 0.722175} Si1605 4813 0.0 -1 14 {} Si 0.0 {0.894471 0.00228755 0.950176} Si1606 4814 0.0 -1 14 {} Si 0.0 {0.885006 0.0305864 0.785966} Si1607 4815 0.0 -1 14 {} Si 0.0 {0.894783 0.0288574 0.874626} Si1608 4816 0.0 -1 8 {} O 0.0 {0.885042 0.991009 0.75812} O3209 4817 0.0 -1 8 {} O 0.0 {0.894187 0.015193 0.910004} O3210 4818 0.0 -1 8 {} O 0.0 {0.883885 0.0162443 0.768993} O3211 4819 0.0 -1 8 {} O 0.0 {0.896406 0.0401542 0.919631} O3212 4820 0.0 -1 8 {} O 0.0 {0.899656 0.0267671 0.826208} O3213 4821 0.0 -1 8 {} O 0.0 {0.889802 0.0311334 0.832169} O3214 4822 0.0 -1 8 {} O 0.0 {0.890198 0.00178674 0.0033177} O3215 4823 0.0 -1 8 {} O 0.0 {0.880475 0.00684719 0.994479} O3216 4824 0.0 -1 14 {} Si 0.0 {0.8857 0.0543621 0.0437239} Si1609 4825 0.0 -1 14 {} Si 0.0 {0.894801 0.0573389 0.277288} Si1610 4826 0.0 -1 14 {} Si 0.0 {0.885538 0.0807432 0.1101} Si1611 4827 0.0 -1 14 {} Si 0.0 {0.896029 0.0818139 0.182452} Si1612 4828 0.0 -1 8 {} O 0.0 {0.885745 0.0408917 0.07434} O3217 4829 0.0 -1 8 {} O 0.0 {0.895237 0.0682562 0.226972} O3218 4830 0.0 -1 8 {} O 0.0 {0.885894 0.0657681 0.0974193} O3219 4831 0.0 -1 8 {} O 0.0 {0.898945 0.0934322 0.21874} O3220 4832 0.0 -1 8 {} O 0.0 {0.900556 0.0777151 0.132309} O3221 4833 0.0 -1 8 {} O 0.0 {0.890659 0.0844859 0.146067} O3222 4834 0.0 -1 8 {} O 0.0 {0.889392 0.0577847 0.312327} O3223 4835 0.0 -1 8 {} O 0.0 {0.879387 0.0576687 0.332456} O3224 4836 0.0 -1 14 {} Si 0.0 {0.884854 0.0541443 0.363618} Si1613 4837 0.0 -1 14 {} Si 0.0 {0.895585 0.054588 0.621432} Si1614 4838 0.0 -1 14 {} Si 0.0 {0.885301 0.0786465 0.448043} Si1615 4839 0.0 -1 14 {} Si 0.0 {0.895686 0.0775987 0.523859} Si1616 4840 0.0 -1 8 {} O 0.0 {0.885598 0.040205 0.393361} O3225 4841 0.0 -1 8 {} O 0.0 {0.89658 0.0654335 0.56996} O3226 4842 0.0 -1 8 {} O 0.0 {0.886219 0.0646096 0.415894} O3227 4843 0.0 -1 8 {} O 0.0 {0.897607 0.0907707 0.561389} O3228 4844 0.0 -1 8 {} O 0.0 {0.899089 0.0786374 0.456572} O3229 4845 0.0 -1 8 {} O 0.0 {0.88989 0.0798375 0.50012} O3230 4846 0.0 -1 8 {} O 0.0 {0.890569 0.058946 0.659244} O3231 4847 0.0 -1 8 {} O 0.0 {0.880551 0.0575471 0.66278} O3232 4848 0.0 -1 14 {} Si 0.0 {0.885619 0.0560982 0.705109} Si1617 4849 0.0 -1 14 {} Si 0.0 {0.895158 0.0544335 0.948678} Si1618 4850 0.0 -1 14 {} Si 0.0 {0.885135 0.0820961 0.775447} Si1619 4851 0.0 -1 14 {} Si 0.0 {0.894517 0.0791866 0.864838} Si1620 4852 0.0 -1 8 {} O 0.0 {0.88602 0.042031 0.735758} O3233 4853 0.0 -1 8 {} O 0.0 {0.894041 0.0638329 0.892973} O3234 4854 0.0 -1 8 {} O 0.0 {0.885492 0.0671962 0.753485} O3235 4855 0.0 -1 8 {} O 0.0 {0.895276 0.0889197 0.925041} O3236 4856 0.0 -1 8 {} O 0.0 {0.898514 0.082852 0.809325} O3237 4857 0.0 -1 8 {} O 0.0 {0.88911 0.0832237 0.835574} O3238 4858 0.0 -1 8 {} O 0.0 {0.890808 0.0568748 0.00103302} O3239 4859 0.0 -1 8 {} O 0.0 {0.880729 0.0563193 0.00158206} O3240 4860 0.0 -1 14 {} Si 0.0 {0.907143 0.957138 0.0213721} Si1621 4861 0.0 -1 14 {} Si 0.0 {0.914067 0.953943 0.283515} Si1622 4862 0.0 -1 14 {} Si 0.0 {0.905189 0.979722 0.111014} Si1623 4863 0.0 -1 14 {} Si 0.0 {0.914458 0.9798 0.207249} Si1624 4864 0.0 -1 8 {} O 0.0 {0.910065 0.947488 0.0715051} O3241 4865 0.0 -1 8 {} O 0.0 {0.914502 0.96831 0.257034} O3242 4866 0.0 -1 8 {} O 0.0 {0.906979 0.970661 0.0548944} O3243 4867 0.0 -1 8 {} O 0.0 {0.914301 0.992949 0.243583} O3244 4868 0.0 -1 8 {} O 0.0 {0.919712 0.978428 0.16454} O3245 4869 0.0 -1 8 {} O 0.0 {0.909406 0.977268 0.165631} O3246 4870 0.0 -1 8 {} O 0.0 {0.909671 0.955772 0.335958} O3247 4871 0.0 -1 8 {} O 0.0 {0.899691 0.955202 0.295359} O3248 4872 0.0 -1 14 {} Si 0.0 {0.903291 0.95658 0.359189} Si1625 4873 0.0 -1 14 {} Si 0.0 {0.91379 0.954082 0.617184} Si1626 4874 0.0 -1 14 {} Si 0.0 {0.903259 0.979942 0.458282} Si1627 4875 0.0 -1 14 {} Si 0.0 {0.913523 0.978307 0.532462} Si1628 4876 0.0 -1 8 {} O 0.0 {0.901002 0.944732 0.400909} O3249 4877 0.0 -1 8 {} O 0.0 {0.913673 0.967961 0.591707} O3250 4878 0.0 -1 8 {} O 0.0 {0.902019 0.969545 0.401845} O3251 4879 0.0 -1 8 {} O 0.0 {0.914726 0.992314 0.561064} O3252 4880 0.0 -1 8 {} O 0.0 {0.918806 0.976974 0.488577} O3253 4881 0.0 -1 8 {} O 0.0 {0.908655 0.975725 0.488852} O3254 4882 0.0 -1 8 {} O 0.0 {0.908241 0.952546 0.652711} O3255 4883 0.0 -1 8 {} O 0.0 {0.899053 0.948017 0.681526} O3256 4884 0.0 -1 14 {} Si 0.0 {0.904618 0.951551 0.716245} Si1629 4885 0.0 -1 14 {} Si 0.0 {0.914836 0.957943 0.909022} Si1630 4886 0.0 -1 14 {} Si 0.0 {0.904175 0.978947 0.786724} Si1631 4887 0.0 -1 14 {} Si 0.0 {0.914581 0.985416 0.850578} Si1632 4888 0.0 -1 8 {} O 0.0 {0.906203 0.940695 0.769563} O3257 4889 0.0 -1 8 {} O 0.0 {0.914893 0.973607 0.900103} O3258 4890 0.0 -1 8 {} O 0.0 {0.903723 0.965488 0.750363} O3259 4891 0.0 -1 8 {} O 0.0 {0.914063 0.998123 0.893907} O3260 4892 0.0 -1 8 {} O 0.0 {0.919904 0.985255 0.816184} O3261 4893 0.0 -1 8 {} O 0.0 {0.909912 0.98207 0.807074} O3262 4894 0.0 -1 8 {} O 0.0 {0.910055 0.955422 0.953154} O3263 4895 0.0 -1 8 {} O 0.0 {0.901236 0.952671 0.00646429} O3264 4896 0.0 -1 14 {} Si 0.0 {0.904583 0.00467236 0.0288573} Si1633 4897 0.0 -1 14 {} Si 0.0 {0.915159 0.00568795 0.288703} Si1634 4898 0.0 -1 14 {} Si 0.0 {0.904243 0.0299446 0.10396} Si1635 4899 0.0 -1 14 {} Si 0.0 {0.913801 0.0279893 0.196398} Si1636 4900 0.0 -1 8 {} O 0.0 {0.905598 0.994477 0.0859613} O3265 4901 0.0 -1 8 {} O 0.0 {0.913221 0.0176459 0.250169} O3266 4902 0.0 -1 8 {} O 0.0 {0.903522 0.0191545 0.0531572} O3267 4903 0.0 -1 8 {} O 0.0 {0.915111 0.0417643 0.226878} O3268 4904 0.0 -1 8 {} O 0.0 {0.918941 0.0242223 0.153372} O3269 4905 0.0 -1 8 {} O 0.0 {0.909199 0.0281374 0.149672} O3270 4906 0.0 -1 8 {} O 0.0 {0.911207 0.00249922 0.342783} O3271 4907 0.0 -1 8 {} O 0.0 {0.901028 0.00679022 0.33319} O3272 4908 0.0 -1 14 {} Si 0.0 {0.905916 0.00524649 0.38259} Si1637 4909 0.0 -1 14 {} Si 0.0 {0.914137 0.00327929 0.615706} Si1638 4910 0.0 -1 14 {} Si 0.0 {0.904816 0.0298585 0.46156} Si1639 4911 0.0 -1 14 {} Si 0.0 {0.914246 0.0298483 0.549656} Si1640 4912 0.0 -1 8 {} O 0.0 {0.903904 0.994112 0.428855} O3273 4913 0.0 -1 8 {} O 0.0 {0.912589 0.0166474 0.582488} O3274 4914 0.0 -1 8 {} O 0.0 {0.906476 0.0191322 0.411977} O3275 4915 0.0 -1 8 {} O 0.0 {0.91457 0.0425196 0.598571} O3276 4916 0.0 -1 8 {} O 0.0 {0.919951 0.0278742 0.512133} O3277 4917 0.0 -1 8 {} O 0.0 {0.909486 0.0347701 0.506687} O3278 4918 0.0 -1 8 {} O 0.0 {0.909395 0.000423824 0.661184} O3279 4919 0.0 -1 8 {} O 0.0 {0.89918 0.00614346 0.653747} O3280 4920 0.0 -1 14 {} Si 0.0 {0.904011 0.00342363 0.698309} Si1641 4921 0.0 -1 14 {} Si 0.0 {0.91515 0.00794824 0.952953} Si1642 4922 0.0 -1 14 {} Si 0.0 {0.904555 0.0273535 0.783048} Si1643 4923 0.0 -1 14 {} Si 0.0 {0.915108 0.0306095 0.860407} Si1644 4924 0.0 -1 8 {} O 0.0 {0.902701 0.990088 0.738481} O3281 4925 0.0 -1 8 {} O 0.0 {0.915839 0.0216171 0.92527} O3282 4926 0.0 -1 8 {} O 0.0 {0.905166 0.0143362 0.745382} O3283 4927 0.0 -1 8 {} O 0.0 {0.916425 0.0449004 0.884013} O3284 4928 0.0 -1 8 {} O 0.0 {0.919433 0.0271999 0.810457} O3285 4929 0.0 -1 8 {} O 0.0 {0.909724 0.0286576 0.826299} O3286 4930 0.0 -1 8 {} O 0.0 {0.910159 0.00685247 0.993716} O3287 4931 0.0 -1 8 {} O 0.0 {0.900277 0.00118608 0.980272} O3288 4932 0.0 -1 14 {} Si 0.0 {0.905937 0.0554038 0.0231207} Si1645 4933 0.0 -1 14 {} Si 0.0 {0.913933 0.0523843 0.279055} Si1646 4934 0.0 -1 14 {} Si 0.0 {0.906313 0.0801399 0.104051} Si1647 4935 0.0 -1 14 {} Si 0.0 {0.915131 0.0771792 0.201023} Si1648 4936 0.0 -1 8 {} O 0.0 {0.904439 0.044254 0.0727552} O3289 4937 0.0 -1 8 {} O 0.0 {0.913231 0.0661484 0.245917} O3290 4938 0.0 -1 8 {} O 0.0 {0.907625 0.0681438 0.0616656} O3291 4939 0.0 -1 8 {} O 0.0 {0.916001 0.0903512 0.244915} O3292 4940 0.0 -1 8 {} O 0.0 {0.920047 0.0743234 0.159274} O3293 4941 0.0 -1 8 {} O 0.0 {0.910309 0.082362 0.159526} O3294 4942 0.0 -1 8 {} O 0.0 {0.908858 0.0493059 0.313575} O3295 4943 0.0 -1 8 {} O 0.0 {0.899198 0.0586444 0.330575} O3296 4944 0.0 -1 14 {} Si 0.0 {0.904275 0.0532032 0.362721} Si1649 4945 0.0 -1 14 {} Si 0.0 {0.91415 0.0570591 0.6209} Si1650 4946 0.0 -1 14 {} Si 0.0 {0.904587 0.0797831 0.424626} Si1651 4947 0.0 -1 14 {} Si 0.0 {0.913443 0.0799055 0.528137} Si1652 4948 0.0 -1 8 {} O 0.0 {0.903098 0.0418095 0.414232} O3297 4949 0.0 -1 8 {} O 0.0 {0.913531 0.0663286 0.563978} O3298 4950 0.0 -1 8 {} O 0.0 {0.906504 0.0654309 0.400025} O3299 4951 0.0 -1 8 {} O 0.0 {0.913144 0.09102 0.581872} O3300 4952 0.0 -1 8 {} O 0.0 {0.918765 0.084027 0.488514} O3301 4953 0.0 -1 8 {} O 0.0 {0.908397 0.0824078 0.481414} O3302 4954 0.0 -1 8 {} O 0.0 {0.909733 0.0587085 0.669581} O3303 4955 0.0 -1 8 {} O 0.0 {0.900191 0.0576117 0.673427} O3304 4956 0.0 -1 14 {} Si 0.0 {0.904994 0.0544746 0.719033} Si1653 4957 0.0 -1 14 {} Si 0.0 {0.915559 0.056137 0.936466} Si1654 4958 0.0 -1 14 {} Si 0.0 {0.903963 0.0818045 0.775089} Si1655 4959 0.0 -1 14 {} Si 0.0 {0.914234 0.0820291 0.854823} Si1656 4960 0.0 -1 8 {} O 0.0 {0.904357 0.0397131 0.740046} O3305 4961 0.0 -1 8 {} O 0.0 {0.914823 0.07057 0.906722} O3306 4962 0.0 -1 8 {} O 0.0 {0.904823 0.0663832 0.767803} O3307 4963 0.0 -1 8 {} O 0.0 {0.91577 0.0939905 0.900891} O3308 4964 0.0 -1 8 {} O 0.0 {0.91893 0.0830486 0.808477} O3309 4965 0.0 -1 8 {} O 0.0 {0.908656 0.085654 0.821424} O3310 4966 0.0 -1 8 {} O 0.0 {0.910556 0.0525584 0.976537} O3311 4967 0.0 -1 8 {} O 0.0 {0.900881 0.0583684 0.979663} O3312 4968 0.0 -1 14 {} Si 0.0 {0.922746 0.953126 0.0170316} Si1657 4969 0.0 -1 14 {} Si 0.0 {0.935099 0.951009 0.279409} Si1658 4970 0.0 -1 14 {} Si 0.0 {0.924226 0.97595 0.11331} Si1659 4971 0.0 -1 14 {} Si 0.0 {0.933973 0.977796 0.200974} Si1660 4972 0.0 -1 8 {} O 0.0 {0.919376 0.942583 0.0502463} O3313 4973 0.0 -1 8 {} O 0.0 {0.934401 0.96479 0.245774} O3314 4974 0.0 -1 8 {} O 0.0 {0.922206 0.964467 0.0665188} O3315 4975 0.0 -1 8 {} O 0.0 {0.933007 0.990029 0.244962} O3316 4976 0.0 -1 8 {} O 0.0 {0.939369 0.980285 0.165235} O3317 4977 0.0 -1 8 {} O 0.0 {0.929252 0.974754 0.155948} O3318 4978 0.0 -1 8 {} O 0.0 {0.929561 0.949272 0.31645} O3319 4979 0.0 -1 8 {} O 0.0 {0.919499 0.949323 0.316474} O3320 4980 0.0 -1 14 {} Si 0.0 {0.924672 0.951581 0.359024} Si1661 4981 0.0 -1 14 {} Si 0.0 {0.932799 0.953228 0.625076} Si1662 4982 0.0 -1 14 {} Si 0.0 {0.923795 0.977726 0.445821} Si1663 4983 0.0 -1 14 {} Si 0.0 {0.933825 0.976185 0.53306} Si1664 4984 0.0 -1 8 {} O 0.0 {0.925293 0.939446 0.407346} O3321 4985 0.0 -1 8 {} O 0.0 {0.932053 0.965004 0.58081} O3322 4986 0.0 -1 8 {} O 0.0 {0.924559 0.965038 0.405117} O3323 4987 0.0 -1 8 {} O 0.0 {0.935289 0.98977 0.567276} O3324 4988 0.0 -1 8 {} O 0.0 {0.938571 0.972929 0.491194} O3325 4989 0.0 -1 8 {} O 0.0 {0.928811 0.979356 0.490442} O3326 4990 0.0 -1 8 {} O 0.0 {0.928067 0.951539 0.672438} O3327 4991 0.0 -1 8 {} O 0.0 {0.917971 0.953551 0.674697} O3328 4992 0.0 -1 14 {} Si 0.0 {0.923058 0.956541 0.711805} Si1665 4993 0.0 -1 14 {} Si 0.0 {0.933626 0.954316 0.949741} Si1666 4994 0.0 -1 14 {} Si 0.0 {0.925277 0.982974 0.773988} Si1667 4995 0.0 -1 14 {} Si 0.0 {0.934699 0.978356 0.868392} Si1668 4996 0.0 -1 8 {} O 0.0 {0.922041 0.950336 0.778694} O3329 4997 0.0 -1 8 {} O 0.0 {0.93235 0.967507 0.914611} O3330 4998 0.0 -1 8 {} O 0.0 {0.923874 0.971782 0.727027} O3331 4999 0.0 -1 8 {} O 0.0 {0.936408 0.990957 0.908842} O3332 5000 0.0 -1 8 {} O 0.0 {0.939426 0.972756 0.828634} O3333 5001 0.0 -1 8 {} O 0.0 {0.929923 0.980859 0.819946} O3334 5002 0.0 -1 8 {} O 0.0 {0.928767 0.952084 0.995471} O3335 5003 0.0 -1 8 {} O 0.0 {0.919615 0.952944 0.94953} O3336 5004 0.0 -1 14 {} Si 0.0 {0.925267 0.00255272 0.0348711} Si1669 5005 0.0 -1 14 {} Si 0.0 {0.934884 0.00230047 0.282069} Si1670 5006 0.0 -1 14 {} Si 0.0 {0.924048 0.0274954 0.117095} Si1671 5007 0.0 -1 14 {} Si 0.0 {0.933947 0.0288997 0.20731} Si1672 5008 0.0 -1 8 {} O 0.0 {0.924037 0.989116 0.0737233} O3337 5009 0.0 -1 8 {} O 0.0 {0.934583 0.0145017 0.234982} O3338 5010 0.0 -1 8 {} O 0.0 {0.925481 0.0145501 0.0792993} O3339 5011 0.0 -1 8 {} O 0.0 {0.933553 0.0389713 0.265772} O3340 5012 0.0 -1 8 {} O 0.0 {0.938836 0.0313638 0.160965} O3341 5013 0.0 -1 8 {} O 0.0 {0.92882 0.0299324 0.165501} O3342 5014 0.0 -1 8 {} O 0.0 {0.930544 0.00407283 0.339967} O3343 5015 0.0 -1 8 {} O 0.0 {0.920821 0.00660722 0.316935} O3344 5016 0.0 -1 14 {} Si 0.0 {0.925021 0.0034576 0.374124} Si1673 5017 0.0 -1 14 {} Si 0.0 {0.934898 0.00357767 0.60213} Si1674 5018 0.0 -1 14 {} Si 0.0 {0.924253 0.0276214 0.45838} Si1675 5019 0.0 -1 14 {} Si 0.0 {0.934758 0.0300825 0.526955} Si1676 5020 0.0 -1 8 {} O 0.0 {0.924119 0.988773 0.396178} O3345 5021 0.0 -1 8 {} O 0.0 {0.935069 0.0156028 0.558162} O3346 5022 0.0 -1 8 {} O 0.0 {0.924252 0.0130445 0.429409} O3347 5023 0.0 -1 8 {} O 0.0 {0.935979 0.040336 0.581881} O3348 5024 0.0 -1 8 {} O 0.0 {0.939696 0.0307714 0.479518} O3349 5025 0.0 -1 8 {} O 0.0 {0.929572 0.0324938 0.49166} O3350 5026 0.0 -1 8 {} O 0.0 {0.928978 0.00494185 0.627461} O3351 5027 0.0 -1 8 {} O 0.0 {0.919056 0.0045089 0.66149} O3352 5028 0.0 -1 14 {} Si 0.0 {0.925134 0.00596305 0.683804} Si1677 5029 0.0 -1 14 {} Si 0.0 {0.934751 0.00329466 0.947485} Si1678 5030 0.0 -1 14 {} Si 0.0 {0.924216 0.0304153 0.768621} Si1679 5031 0.0 -1 14 {} Si 0.0 {0.933895 0.0264442 0.859727} Si1680 5032 0.0 -1 8 {} O 0.0 {0.926505 0.995678 0.734912} O3353 5033 0.0 -1 8 {} O 0.0 {0.932668 0.0141421 0.903365} O3354 5034 0.0 -1 8 {} O 0.0 {0.924311 0.0203998 0.709501} O3355 5035 0.0 -1 8 {} O 0.0 {0.934743 0.0390344 0.898786} O3356 5036 0.0 -1 8 {} O 0.0 {0.939211 0.0237349 0.822605} O3357 5037 0.0 -1 8 {} O 0.0 {0.929715 0.0298317 0.80676} O3358 5038 0.0 -1 8 {} O 0.0 {0.930521 5.41281e-005 0.997248} O3359 5039 0.0 -1 8 {} O 0.0 {0.920184 0.00394077 0.991125} O3360 5040 0.0 -1 14 {} Si 0.0 {0.925012 0.0523637 0.0338545} Si1681 5041 0.0 -1 14 {} Si 0.0 {0.93322 0.0524901 0.295472} Si1682 5042 0.0 -1 14 {} Si 0.0 {0.924909 0.0773577 0.11571} Si1683 5043 0.0 -1 14 {} Si 0.0 {0.933992 0.0767579 0.211095} Si1684 5044 0.0 -1 8 {} O 0.0 {0.92376 0.0401931 0.0739108} O3361 5045 0.0 -1 8 {} O 0.0 {0.933315 0.0625828 0.239154} O3362 5046 0.0 -1 8 {} O 0.0 {0.926145 0.0646743 0.0760331} O3363 5047 0.0 -1 8 {} O 0.0 {0.934463 0.0880325 0.264933} O3364 5048 0.0 -1 8 {} O 0.0 {0.939565 0.0784096 0.17713} O3365 5049 0.0 -1 8 {} O 0.0 {0.929677 0.0805849 0.160057} O3366 5050 0.0 -1 8 {} O 0.0 {0.928769 0.0546529 0.352255} O3367 5051 0.0 -1 8 {} O 0.0 {0.918803 0.053195 0.330689} O3368 5052 0.0 -1 14 {} Si 0.0 {0.923347 0.0530738 0.384919} Si1685 5053 0.0 -1 14 {} Si 0.0 {0.934925 0.0539306 0.616372} Si1686 5054 0.0 -1 14 {} Si 0.0 {0.923933 0.0792002 0.455101} Si1687 5055 0.0 -1 14 {} Si 0.0 {0.934503 0.0785164 0.526364} Si1688 5056 0.0 -1 8 {} O 0.0 {0.922728 0.0385648 0.409506} O3369 5057 0.0 -1 8 {} O 0.0 {0.935017 0.0653668 0.566567} O3370 5058 0.0 -1 8 {} O 0.0 {0.923185 0.0649617 0.432644} O3371 5059 0.0 -1 8 {} O 0.0 {0.935441 0.0897017 0.576667} O3372 5060 0.0 -1 8 {} O 0.0 {0.938307 0.0821648 0.467488} O3373 5061 0.0 -1 8 {} O 0.0 {0.928555 0.0812975 0.503221} O3374 5062 0.0 -1 8 {} O 0.0 {0.929187 0.0526816 0.643861} O3375 5063 0.0 -1 8 {} O 0.0 {0.919553 0.0602804 0.656275} O3376 5064 0.0 -1 14 {} Si 0.0 {0.924926 0.0573709 0.692753} Si1689 5065 0.0 -1 14 {} Si 0.0 {0.934921 0.0514145 0.947553} Si1690 5066 0.0 -1 14 {} Si 0.0 {0.924823 0.0801971 0.785413} Si1691 5067 0.0 -1 14 {} Si 0.0 {0.934641 0.0794367 0.874427} Si1692 5068 0.0 -1 8 {} O 0.0 {0.923915 0.0448127 0.741217} O3377 5069 0.0 -1 8 {} O 0.0 {0.934837 0.0650093 0.912005} O3378 5070 0.0 -1 8 {} O 0.0 {0.926304 0.0694404 0.73947} O3379 5071 0.0 -1 8 {} O 0.0 {0.934312 0.0913772 0.927056} O3380 5072 0.0 -1 8 {} O 0.0 {0.93928 0.0830882 0.825003} O3381 5073 0.0 -1 8 {} O 0.0 {0.929616 0.0817212 0.83285} O3382 5074 0.0 -1 8 {} O 0.0 {0.930087 0.0484686 0.994794} O3383 5075 0.0 -1 8 {} O 0.0 {0.920776 0.0559233 0.979252} O3384 5076 0.0 -1 14 {} Si 0.0 {0.943673 0.954466 0.0443386} Si1693 5077 0.0 -1 14 {} Si 0.0 {0.953711 0.951659 0.274479} Si1694 5078 0.0 -1 14 {} Si 0.0 {0.944386 0.980562 0.12155} Si1695 5079 0.0 -1 14 {} Si 0.0 {0.954061 0.977655 0.204624} Si1696 5080 0.0 -1 8 {} O 0.0 {0.940661 0.945466 0.0816558} O3385 5081 0.0 -1 8 {} O 0.0 {0.952286 0.964147 0.235551} O3386 5082 0.0 -1 8 {} O 0.0 {0.944883 0.966312 0.0939315} O3387 5083 0.0 -1 8 {} O 0.0 {0.954971 0.988858 0.256485} O3388 5084 0.0 -1 8 {} O 0.0 {0.959095 0.97597 0.161699} O3389 5085 0.0 -1 8 {} O 0.0 {0.949569 0.983092 0.158333} O3390 5086 0.0 -1 8 {} O 0.0 {0.949538 0.948019 0.326606} O3391 5087 0.0 -1 8 {} O 0.0 {0.939721 0.948689 0.327369} O3392 5088 0.0 -1 14 {} Si 0.0 {0.944833 0.951339 0.373217} Si1697 5089 0.0 -1 14 {} Si 0.0 {0.953899 0.949904 0.603014} Si1698 5090 0.0 -1 14 {} Si 0.0 {0.943667 0.976216 0.452019} Si1699 5091 0.0 -1 14 {} Si 0.0 {0.95403 0.976531 0.538248} Si1700 5092 0.0 -1 8 {} O 0.0 {0.945391 0.940224 0.427776} O3393 5093 0.0 -1 8 {} O 0.0 {0.952865 0.964864 0.582267} O3394 5094 0.0 -1 8 {} O 0.0 {0.944995 0.965672 0.400933} O3395 5095 0.0 -1 8 {} O 0.0 {0.955649 0.989104 0.573962} O3396 5096 0.0 -1 8 {} O 0.0 {0.958704 0.972942 0.488677} O3397 5097 0.0 -1 8 {} O 0.0 {0.94859 0.97758 0.494927} O3398 5098 0.0 -1 8 {} O 0.0 {0.948719 0.948085 0.64224} O3399 5099 0.0 -1 8 {} O 0.0 {0.938178 0.954607 0.661679} O3400 5100 0.0 -1 14 {} Si 0.0 {0.94393 0.952749 0.687822} Si1701 5101 0.0 -1 14 {} Si 0.0 {0.954398 0.95118 0.944913} Si1702 5102 0.0 -1 14 {} Si 0.0 {0.944089 0.976147 0.780939} Si1703 5103 0.0 -1 14 {} Si 0.0 {0.953884 0.977408 0.874363} Si1704 5104 0.0 -1 8 {} O 0.0 {0.94294 0.941515 0.736139} O3401 5105 0.0 -1 8 {} O 0.0 {0.952252 0.96481 0.918276} O3402 5106 0.0 -1 8 {} O 0.0 {0.945505 0.963569 0.739281} O3403 5107 0.0 -1 8 {} O 0.0 {0.95364 0.990315 0.916147} O3404 5108 0.0 -1 8 {} O 0.0 {0.959283 0.974226 0.836351} O3405 5109 0.0 -1 8 {} O 0.0 {0.94928 0.978579 0.821998} O3406 5110 0.0 -1 8 {} O 0.0 {0.950635 0.947137 0.991705} O3407 5111 0.0 -1 8 {} O 0.0 {0.938112 0.957805 0.00114093} O3408 5112 0.0 -1 14 {} Si 0.0 {0.944562 0.00552702 0.0378248} Si1705 5113 0.0 -1 14 {} Si 0.0 {0.954722 0.00137212 0.29803} Si1706 5114 0.0 -1 14 {} Si 0.0 {0.944394 0.0297078 0.128827} Si1707 5115 0.0 -1 14 {} Si 0.0 {0.953667 0.0275228 0.224162} Si1708 5116 0.0 -1 8 {} O 0.0 {0.943875 0.991216 0.0687509} O3409 5117 0.0 -1 8 {} O 0.0 {0.953342 0.0137269 0.253439} O3410 5118 0.0 -1 8 {} O 0.0 {0.944381 0.016618 0.0918895} O3411 5119 0.0 -1 8 {} O 0.0 {0.954119 0.0395353 0.27111} O3412 5120 0.0 -1 8 {} O 0.0 {0.958292 0.02749 0.174336} O3413 5121 0.0 -1 8 {} O 0.0 {0.948462 0.0310438 0.183654} O3414 5122 0.0 -1 8 {} O 0.0 {0.949864 0.999817 0.346384} O3415 5123 0.0 -1 8 {} O 0.0 {0.940121 0.999307 0.315603} O3416 5124 0.0 -1 14 {} Si 0.0 {0.94408 0.00149706 0.372639} Si1709 5125 0.0 -1 14 {} Si 0.0 {0.954454 0.00143399 0.618494} Si1710 5126 0.0 -1 14 {} Si 0.0 {0.944778 0.0284442 0.438449} Si1711 5127 0.0 -1 14 {} Si 0.0 {0.953631 0.0278398 0.539423} Si1712 5128 0.0 -1 8 {} O 0.0 {0.943032 0.99064 0.423799} O3417 5129 0.0 -1 8 {} O 0.0 {0.952873 0.0138523 0.573666} O3418 5130 0.0 -1 8 {} O 0.0 {0.943439 0.0161314 0.395134} O3419 5131 0.0 -1 8 {} O 0.0 {0.952967 0.0393381 0.58528} O3420 5132 0.0 -1 8 {} O 0.0 {0.959487 0.0272679 0.514772} O3421 5133 0.0 -1 8 {} O 0.0 {0.949574 0.0272055 0.4821} O3422 5134 0.0 -1 8 {} O 0.0 {0.949193 0.997646 0.654415} O3423 5135 0.0 -1 8 {} O 0.0 {0.939352 0.00400479 0.653117} O3424 5136 0.0 -1 14 {} Si 0.0 {0.944384 0.000918759 0.698823} Si1713 5137 0.0 -1 14 {} Si 0.0 {0.954091 0.00357414 0.951976} Si1714 5138 0.0 -1 14 {} Si 0.0 {0.944193 0.025469 0.779654} Si1715 5139 0.0 -1 14 {} Si 0.0 {0.953991 0.0283903 0.869934} Si1716 5140 0.0 -1 8 {} O 0.0 {0.943328 0.989636 0.747289} O3425 5141 0.0 -1 8 {} O 0.0 {0.95361 0.0147415 0.898282} O3426 5142 0.0 -1 8 {} O 0.0 {0.945546 0.014433 0.731864} O3427 5143 0.0 -1 8 {} O 0.0 {0.953551 0.0386972 0.923101} O3428 5144 0.0 -1 8 {} O 0.0 {0.958968 0.0306067 0.825427} O3429 5145 0.0 -1 8 {} O 0.0 {0.949167 0.030544 0.821901} O3430 5146 0.0 -1 8 {} O 0.0 {0.949946 0.00654918 0.00535985} O3431 5147 0.0 -1 8 {} O 0.0 {0.940287 0.00643938 0.984237} O3432 5148 0.0 -1 14 {} Si 0.0 {0.944848 0.0535946 0.0391583} Si1717 5149 0.0 -1 14 {} Si 0.0 {0.954298 0.0541363 0.291516} Si1718 5150 0.0 -1 14 {} Si 0.0 {0.943479 0.0786712 0.118109} Si1719 5151 0.0 -1 14 {} Si 0.0 {0.954833 0.0762649 0.179949} Si1720 5152 0.0 -1 8 {} O 0.0 {0.945765 0.040182 0.0774789} O3433 5153 0.0 -1 8 {} O 0.0 {0.955114 0.0645831 0.236735} O3434 5154 0.0 -1 8 {} O 0.0 {0.943326 0.065914 0.0812629} O3435 5155 0.0 -1 8 {} O 0.0 {0.957405 0.0878522 0.221374} O3436 5156 0.0 -1 8 {} O 0.0 {0.959108 0.0771621 0.119774} O3437 5157 0.0 -1 8 {} O 0.0 {0.949114 0.0792009 0.151104} O3438 5158 0.0 -1 8 {} O 0.0 {0.948974 0.0577842 0.321727} O3439 5159 0.0 -1 8 {} O 0.0 {0.938988 0.0542323 0.323354} O3440 5160 0.0 -1 14 {} Si 0.0 {0.944144 0.0552046 0.368463} Si1721 5161 0.0 -1 14 {} Si 0.0 {0.953255 0.0525105 0.621177} Si1722 5162 0.0 -1 14 {} Si 0.0 {0.944164 0.0818791 0.440487} Si1723 5163 0.0 -1 14 {} Si 0.0 {0.952884 0.0767537 0.537425} Si1724 5164 0.0 -1 8 {} O 0.0 {0.944983 0.0408464 0.394448} O3441 5165 0.0 -1 8 {} O 0.0 {0.951809 0.0629385 0.569407} O3442 5166 0.0 -1 8 {} O 0.0 {0.944381 0.0671697 0.418212} O3443 5167 0.0 -1 8 {} O 0.0 {0.955171 0.0842029 0.597509} O3444 5168 0.0 -1 8 {} O 0.0 {0.958201 0.0763418 0.498976} O3445 5169 0.0 -1 8 {} O 0.0 {0.948023 0.0825163 0.496038} O3446 5170 0.0 -1 8 {} O 0.0 {0.94934 0.0539021 0.676695} O3447 5171 0.0 -1 8 {} O 0.0 {0.939341 0.0572675 0.666617} O3448 5172 0.0 -1 14 {} Si 0.0 {0.943598 0.0534834 0.716703} Si1725 5173 0.0 -1 14 {} Si 0.0 {0.954647 0.053678 0.944165} Si1726 5174 0.0 -1 14 {} Si 0.0 {0.944216 0.0802988 0.780097} Si1727 5175 0.0 -1 14 {} Si 0.0 {0.954413 0.0779428 0.859464} Si1728 5176 0.0 -1 8 {} O 0.0 {0.943448 0.0387697 0.740532} O3449 5177 0.0 -1 8 {} O 0.0 {0.953773 0.0633802 0.889943} O3450 5178 0.0 -1 8 {} O 0.0 {0.943639 0.0648793 0.768427} O3451 5179 0.0 -1 8 {} O 0.0 {0.953178 0.0864953 0.918415} O3452 5180 0.0 -1 8 {} O 0.0 {0.959447 0.080228 0.818538} O3453 5181 0.0 -1 8 {} O 0.0 {0.94995 0.0810797 0.810654} O3454 5182 0.0 -1 8 {} O 0.0 {0.950015 0.0567085 0.996821} O3455 5183 0.0 -1 8 {} O 0.0 {0.940159 0.0508935 0.990903} O3456 5184 0.0 -1 14 {} Si 0.0 {0.964824 0.951828 0.0290757} Si1729 5185 0.0 -1 14 {} Si 0.0 {0.974124 0.949698 0.288207} Si1730 5186 0.0 -1 14 {} Si 0.0 {0.96384 0.976052 0.113134} Si1731 5187 0.0 -1 14 {} Si 0.0 {0.973229 0.975558 0.21253} Si1732 5188 0.0 -1 8 {} O 0.0 {0.963724 0.938063 0.0581524} O3457 5189 0.0 -1 8 {} O 0.0 {0.97364 0.960828 0.236668} O3458 5190 0.0 -1 8 {} O 0.0 {0.964481 0.962109 0.0862368} O3459 5191 0.0 -1 8 {} O 0.0 {0.973577 0.986256 0.266445} O3460 5192 0.0 -1 8 {} O 0.0 {0.978804 0.976175 0.174419} O3461 5193 0.0 -1 8 {} O 0.0 {0.968878 0.978136 0.159969} O3462 5194 0.0 -1 8 {} O 0.0 {0.968551 0.948721 0.317474} O3463 5195 0.0 -1 8 {} O 0.0 {0.958936 0.956392 0.315925} O3464 5196 0.0 -1 14 {} Si 0.0 {0.963693 0.953783 0.361579} Si1733 5197 0.0 -1 14 {} Si 0.0 {0.97451 0.950061 0.620814} Si1734 5198 0.0 -1 14 {} Si 0.0 {0.964268 0.976224 0.458497} Si1735 5199 0.0 -1 14 {} Si 0.0 {0.975024 0.975149 0.541055} Si1736 5200 0.0 -1 8 {} O 0.0 {0.962675 0.940908 0.397645} O3465 5201 0.0 -1 8 {} O 0.0 {0.976482 0.961587 0.575364} O3466 5202 0.0 -1 8 {} O 0.0 {0.965237 0.965902 0.405597} O3467 5203 0.0 -1 8 {} O 0.0 {0.974873 0.986885 0.593432} O3468 5204 0.0 -1 8 {} O 0.0 {0.979451 0.978344 0.490504} O3469 5205 0.0 -1 8 {} O 0.0 {0.969012 0.975517 0.508515} O3470 5206 0.0 -1 8 {} O 0.0 {0.968735 0.953593 0.649888} O3471 5207 0.0 -1 8 {} O 0.0 {0.958873 0.9485 0.64999} O3472 5208 0.0 -1 14 {} Si 0.0 {0.963717 0.95206 0.691432} Si1737 5209 0.0 -1 14 {} Si 0.0 {0.974613 0.950669 0.941229} Si1738 5210 0.0 -1 14 {} Si 0.0 {0.963203 0.976902 0.782713} Si1739 5211 0.0 -1 14 {} Si 0.0 {0.973515 0.975651 0.863378} Si1740 5212 0.0 -1 8 {} O 0.0 {0.964934 0.93897 0.728742} O3473 5213 0.0 -1 8 {} O 0.0 {0.972653 0.962662 0.901262} O3474 5214 0.0 -1 8 {} O 0.0 {0.962944 0.964212 0.737715} O3475 5215 0.0 -1 8 {} O 0.0 {0.973893 0.988407 0.909457} O3476 5216 0.0 -1 8 {} O 0.0 {0.978947 0.975074 0.826227} O3477 5217 0.0 -1 8 {} O 0.0 {0.968708 0.978187 0.815778} O3478 5218 0.0 -1 8 {} O 0.0 {0.970377 0.948396 0.994527} O3479 5219 0.0 -1 8 {} O 0.0 {0.960251 0.952009 0.977468} O3480 5220 0.0 -1 14 {} Si 0.0 {0.964232 0.00136809 0.0372919} Si1741 5221 0.0 -1 14 {} Si 0.0 {0.974362 0.00127437 0.290289} Si1742 5222 0.0 -1 14 {} Si 0.0 {0.962902 0.0253572 0.123995} Si1743 5223 0.0 -1 14 {} Si 0.0 {0.97365 0.0243535 0.200374} Si1744 5224 0.0 -1 8 {} O 0.0 {0.963501 0.986886 0.0619763} O3481 5225 0.0 -1 8 {} O 0.0 {0.973289 0.0104645 0.232353} O3482 5226 0.0 -1 8 {} O 0.0 {0.962619 0.0111018 0.0943132} O3483 5227 0.0 -1 8 {} O 0.0 {0.972787 0.0339815 0.254483} O3484 5228 0.0 -1 8 {} O 0.0 {0.978882 0.0267564 0.159431} O3485 5229 0.0 -1 8 {} O 0.0 {0.968305 0.0254928 0.160754} O3486 5230 0.0 -1 8 {} O 0.0 {0.969843 0.00151804 0.339754} O3487 5231 0.0 -1 8 {} O 0.0 {0.960331 0.00459764 0.327224} O3488 5232 0.0 -1 14 {} Si 0.0 {0.964499 0.00187718 0.380712} Si1745 5233 0.0 -1 14 {} Si 0.0 {0.974316 0.000226103 0.627952} Si1746 5234 0.0 -1 14 {} Si 0.0 {0.963956 0.0272384 0.465784} Si1747 5235 0.0 -1 14 {} Si 0.0 {0.974434 0.0257167 0.544787} Si1748 5236 0.0 -1 8 {} O 0.0 {0.963486 0.989832 0.425974} O3489 5237 0.0 -1 8 {} O 0.0 {0.973913 0.0110617 0.572681} O3490 5238 0.0 -1 8 {} O 0.0 {0.964521 0.0144361 0.424848} O3491 5239 0.0 -1 8 {} O 0.0 {0.973983 0.0370893 0.599048} O3492 5240 0.0 -1 8 {} O 0.0 {0.979578 0.0273958 0.508799} O3493 5241 0.0 -1 8 {} O 0.0 {0.969343 0.0280949 0.503304} O3494 5242 0.0 -1 8 {} O 0.0 {0.969273 0.00186898 0.669009} O3495 5243 0.0 -1 8 {} O 0.0 {0.959676 0.0049925 0.650814} O3496 5244 0.0 -1 14 {} Si 0.0 {0.963922 0.00266973 0.704956} Si1749 5245 0.0 -1 14 {} Si 0.0 {0.973998 0.00124185 0.946324} Si1750 5246 0.0 -1 14 {} Si 0.0 {0.964129 0.0279458 0.785895} Si1751 5247 0.0 -1 14 {} Si 0.0 {0.973939 0.0275016 0.87317} Si1752 5248 0.0 -1 8 {} O 0.0 {0.962405 0.988556 0.737386} O3497 5249 0.0 -1 8 {} O 0.0 {0.972904 0.0142021 0.906967} O3498 5250 0.0 -1 8 {} O 0.0 {0.964136 0.0135291 0.757742} O3499 5251 0.0 -1 8 {} O 0.0 {0.975746 0.0394463 0.914885} O3500 5252 0.0 -1 8 {} O 0.0 {0.978498 0.0254729 0.821284} O3501 5253 0.0 -1 8 {} O 0.0 {0.969062 0.0318785 0.83237} O3502 5254 0.0 -1 8 {} O 0.0 {0.96982 0.00165285 0.00203933} O3503 5255 0.0 -1 8 {} O 0.0 {0.959673 0.00360931 0.984367} O3504 5256 0.0 -1 14 {} Si 0.0 {0.964 0.0483596 0.0344684} Si1753 5257 0.0 -1 14 {} Si 0.0 {0.973547 0.0483956 0.284268} Si1754 5258 0.0 -1 14 {} Si 0.0 {0.964978 0.075296 0.095486} Si1755 5259 0.0 -1 14 {} Si 0.0 {0.973697 0.0727617 0.194328} Si1756 5260 0.0 -1 8 {} O 0.0 {0.962698 0.0357397 0.0697756} O3505 5261 0.0 -1 8 {} O 0.0 {0.973395 0.0590328 0.231144} O3506 5262 0.0 -1 8 {} O 0.0 {0.964968 0.0596228 0.0863595} O3507 5263 0.0 -1 8 {} O 0.0 {0.973543 0.0838277 0.251171} O3508 5264 0.0 -1 8 {} O 0.0 {0.978588 0.0774421 0.159283} O3509 5265 0.0 -1 8 {} O 0.0 {0.968872 0.078015 0.156182} O3510 5266 0.0 -1 8 {} O 0.0 {0.969307 0.0507593 0.33509} O3511 5267 0.0 -1 8 {} O 0.0 {0.959314 0.0559347 0.338293} O3512 5268 0.0 -1 14 {} Si 0.0 {0.964311 0.0523239 0.377965} Si1757 5269 0.0 -1 14 {} Si 0.0 {0.973851 0.0515958 0.623488} Si1758 5270 0.0 -1 14 {} Si 0.0 {0.96341 0.0769637 0.459522} Si1759 5271 0.0 -1 14 {} Si 0.0 {0.973399 0.0764137 0.540522} Si1760 5272 0.0 -1 8 {} O 0.0 {0.963532 0.0389059 0.416217} O3513 5273 0.0 -1 8 {} O 0.0 {0.973357 0.0613435 0.565057} O3514 5274 0.0 -1 8 {} O 0.0 {0.964946 0.063842 0.426327} O3515 5275 0.0 -1 8 {} O 0.0 {0.974212 0.0857901 0.599775} O3516 5276 0.0 -1 8 {} O 0.0 {0.977867 0.0786423 0.487721} O3517 5277 0.0 -1 8 {} O 0.0 {0.967934 0.0803534 0.505813} O3518 5278 0.0 -1 8 {} O 0.0 {0.969226 0.0561006 0.667784} O3519 5279 0.0 -1 8 {} O 0.0 {0.959112 0.0543312 0.643134} O3520 5280 0.0 -1 14 {} Si 0.0 {0.963578 0.0512167 0.693947} Si1761 5281 0.0 -1 14 {} Si 0.0 {0.974339 0.051635 0.955056} Si1762 5282 0.0 -1 14 {} Si 0.0 {0.963783 0.0763267 0.766858} Si1763 5283 0.0 -1 14 {} Si 0.0 {0.973025 0.0743197 0.858389} Si1764 5284 0.0 -1 8 {} O 0.0 {0.964306 0.0371411 0.728993} O3521 5285 0.0 -1 8 {} O 0.0 {0.972067 0.0624349 0.910016} O3522 5286 0.0 -1 8 {} O 0.0 {0.962186 0.0617524 0.751238} O3523 5287 0.0 -1 8 {} O 0.0 {0.971871 0.0872468 0.895234} O3524 5288 0.0 -1 8 {} O 0.0 {0.978794 0.0749359 0.83064} O3525 5289 0.0 -1 8 {} O 0.0 {0.969154 0.0754975 0.800941} O3526 5290 0.0 -1 8 {} O 0.0 {0.969414 0.047643 0.997916} O3527 5291 0.0 -1 8 {} O 0.0 {0.959784 0.0534738 0.987632} O3528 5292 0.0 -1 14 {} Si 0.0 {0.984306 0.955175 0.0291856} Si1765 5293 0.0 -1 14 {} Si 0.0 {0.99307 0.953287 0.265784} Si1766 5294 0.0 -1 14 {} Si 0.0 {0.983345 0.979002 0.121663} Si1767 5295 0.0 -1 14 {} Si 0.0 {0.993504 0.979803 0.201769} Si1768 5296 0.0 -1 8 {} O 0.0 {0.982975 0.942584 0.0667067} O3529 5297 0.0 -1 8 {} O 0.0 {0.995093 0.966677 0.233762} O3530 5298 0.0 -1 8 {} O 0.0 {0.982981 0.966886 0.0730982} O3531 5299 0.0 -1 8 {} O 0.0 {0.992256 0.992805 0.242003} O3532 5300 0.0 -1 8 {} O 0.0 {0.998823 0.983506 0.164159} O3533 5301 0.0 -1 8 {} O 0.0 {0.989094 0.976935 0.15176} O3534 5302 0.0 -1 8 {} O 0.0 {0.988189 0.956184 0.311055} O3535 5303 0.0 -1 8 {} O 0.0 {0.978042 0.953904 0.342589} O3536 5304 0.0 -1 14 {} Si 0.0 {0.984304 0.954298 0.369291} Si1769 5305 0.0 -1 14 {} Si 0.0 {0.995294 0.95273 0.633994} Si1770 5306 0.0 -1 14 {} Si 0.0 {0.985063 0.978007 0.45966} Si1771 5307 0.0 -1 14 {} Si 0.0 {0.994835 0.976957 0.549368} Si1772 5308 0.0 -1 8 {} O 0.0 {0.984804 0.939077 0.381651} O3537 5309 0.0 -1 8 {} O 0.0 {0.994241 0.965531 0.598415} O3538 5310 0.0 -1 8 {} O 0.0 {0.98585 0.963997 0.42981} O3539 5311 0.0 -1 8 {} O 0.0 {0.995527 0.99093 0.586974} O3540 5312 0.0 -1 8 {} O 0.0 {6.76877e-005 0.974484 0.511438} O3541 5313 0.0 -1 8 {} O 0.0 {0.989627 0.978558 0.51028} O3542 5314 0.0 -1 8 {} O 0.0 {0.989567 0.950159 0.664202} O3543 5315 0.0 -1 8 {} O 0.0 {0.978629 0.950448 0.676157} O3544 5316 0.0 -1 14 {} Si 0.0 {0.98446 0.956106 0.7019} Si1773 5317 0.0 -1 14 {} Si 0.0 {0.994743 0.951883 0.953966} Si1774 5318 0.0 -1 14 {} Si 0.0 {0.98417 0.979715 0.79333} Si1775 5319 0.0 -1 14 {} Si 0.0 {0.994841 0.975818 0.868495} Si1776 5320 0.0 -1 8 {} O 0.0 {0.984747 0.946779 0.75749} O3545 5321 0.0 -1 8 {} O 0.0 {0.994466 0.962129 0.900187} O3546 5322 0.0 -1 8 {} O 0.0 {0.984717 0.970057 0.735565} O3547 5323 0.0 -1 8 {} O 0.0 {0.995436 0.987028 0.92398} O3548 5324 0.0 -1 8 {} O 0.0 {0.999179 0.97624 0.81493} O3549 5325 0.0 -1 8 {} O 0.0 {0.989084 0.978278 0.838834} O3550 5326 0.0 -1 8 {} O 0.0 {0.990123 0.954992 0.00215834} O3551 5327 0.0 -1 8 {} O 0.0 {0.9801 0.953275 0.974363} O3552 5328 0.0 -1 14 {} Si 0.0 {0.984185 0.00287275 0.0353821} Si1777 5329 0.0 -1 14 {} Si 0.0 {0.994022 0.00438972 0.287059} Si1778 5330 0.0 -1 14 {} Si 0.0 {0.98395 0.0278579 0.118488} Si1779 5331 0.0 -1 14 {} Si 0.0 {0.99374 0.0300634 0.208603} Si1780 5332 0.0 -1 8 {} O 0.0 {0.982657 0.99221 0.0863467} O3553 5333 0.0 -1 8 {} O 0.0 {0.994873 0.0171974 0.249306} O3554 5334 0.0 -1 8 {} O 0.0 {0.984052 0.0173925 0.0639443} O3555 5335 0.0 -1 8 {} O 0.0 {0.992059 0.0419035 0.249711} O3556 5336 0.0 -1 8 {} O 0.0 {0.998714 0.0333704 0.171799} O3557 5337 0.0 -1 8 {} O 0.0 {0.988996 0.0261957 0.159724} O3558 5338 0.0 -1 8 {} O 0.0 {0.989085 0.0067721 0.332756} O3559 5339 0.0 -1 8 {} O 0.0 {0.979796 0.00398015 0.32225} O3560 5340 0.0 -1 14 {} Si 0.0 {0.984102 0.0031552 0.373033} Si1781 5341 0.0 -1 14 {} Si 0.0 {0.994634 0.00298249 0.630015} Si1782 5342 0.0 -1 14 {} Si 0.0 {0.984407 0.0261079 0.462676} Si1783 5343 0.0 -1 14 {} Si 0.0 {0.994762 0.0278976 0.544798} Si1784 5344 0.0 -1 8 {} O 0.0 {0.985225 0.988926 0.405369} O3561 5345 0.0 -1 8 {} O 0.0 {0.994329 0.0160822 0.593143} O3562 5346 0.0 -1 8 {} O 0.0 {0.983806 0.0119115 0.433583} O3563 5347 0.0 -1 8 {} O 0.0 {0.995316 0.0410586 0.581027} O3564 5348 0.0 -1 8 {} O 0.0 {0.999503 0.0262913 0.495987} O3565 5349 0.0 -1 8 {} O 0.0 {0.989853 0.0282747 0.498428} O3566 5350 0.0 -1 8 {} O 0.0 {0.989076 0.000943539 0.662447} O3567 5351 0.0 -1 8 {} O 0.0 {0.979421 0.00398412 0.664913} O3568 5352 0.0 -1 14 {} Si 0.0 {0.984373 0.00388775 0.709459} Si1785 5353 0.0 -1 14 {} Si 0.0 {0.994463 0.000342344 0.955612} Si1786 5354 0.0 -1 14 {} Si 0.0 {0.983757 0.0297362 0.788134} Si1787 5355 0.0 -1 14 {} Si 0.0 {0.993789 0.0251886 0.871652} Si1788 5356 0.0 -1 8 {} O 0.0 {0.983727 0.993541 0.765355} O3569 5357 0.0 -1 8 {} O 0.0 {0.993544 0.0104831 0.900975} O3570 5358 0.0 -1 8 {} O 0.0 {0.984798 0.0182067 0.737702} O3571 5359 0.0 -1 8 {} O 0.0 {0.995171 0.0364433 0.923144} O3572 5360 0.0 -1 8 {} O 0.0 {0.998973 0.02392 0.82954} O3573 5361 0.0 -1 8 {} O 0.0 {0.988752 0.0294023 0.830153} O3574 5362 0.0 -1 8 {} O 0.0 {0.989571 0.000463822 0.00210712} O3575 5363 0.0 -1 8 {} O 0.0 {0.979544 0.00214147 0.982358} O3576 5364 0.0 -1 14 {} Si 0.0 {0.983989 0.0543117 0.038437} Si1789 5365 0.0 -1 14 {} Si 0.0 {0.993559 0.0534636 0.296206} Si1790 5366 0.0 -1 14 {} Si 0.0 {0.984298 0.0778143 0.127572} Si1791 5367 0.0 -1 14 {} Si 0.0 {0.994601 0.0779167 0.203841} Si1792 5368 0.0 -1 8 {} O 0.0 {0.983564 0.0415691 0.0843352} O3577 5369 0.0 -1 8 {} O 0.0 {0.994574 0.0665613 0.257429} O3578 5370 0.0 -1 8 {} O 0.0 {0.985685 0.0653022 0.0910479} O3579 5371 0.0 -1 8 {} O 0.0 {0.996422 0.090726 0.242599} O3580 5372 0.0 -1 8 {} O 0.0 {0.999016 0.0755287 0.148658} O3581 5373 0.0 -1 8 {} O 0.0 {0.988953 0.0798376 0.173393} O3582 5374 0.0 -1 8 {} O 0.0 {0.988709 0.055379 0.341607} O3583 5375 0.0 -1 8 {} O 0.0 {0.97905 0.0482246 0.319494} O3584 5376 0.0 -1 14 {} Si 0.0 {0.983523 0.0498473 0.370272} Si1793 5377 0.0 -1 14 {} Si 0.0 {0.994286 0.0525152 0.626658} Si1794 5378 0.0 -1 14 {} Si 0.0 {0.982942 0.0737566 0.453663} Si1795 5379 0.0 -1 14 {} Si 0.0 {0.993195 0.075364 0.529883} Si1796 5380 0.0 -1 8 {} O 0.0 {0.98434 0.0368064 0.409958} O3585 5381 0.0 -1 8 {} O 0.0 {0.993895 0.0658786 0.589102} O3586 5382 0.0 -1 8 {} O 0.0 {0.981819 0.0602716 0.420978} O3587 5383 0.0 -1 8 {} O 0.0 {0.993676 0.0898059 0.560425} O3588 5384 0.0 -1 8 {} O 0.0 {0.99792 0.0743947 0.483662} O3589 5385 0.0 -1 8 {} O 0.0 {0.98765 0.0731785 0.500354} O3590 5386 0.0 -1 8 {} O 0.0 {0.989123 0.0510784 0.670134} O3591 5387 0.0 -1 8 {} O 0.0 {0.979186 0.0550109 0.660818} O3592 5388 0.0 -1 14 {} Si 0.0 {0.984049 0.0548583 0.706251} Si1797 5389 0.0 -1 14 {} Si 0.0 {0.993873 0.049866 0.952369} Si1798 5390 0.0 -1 14 {} Si 0.0 {0.983708 0.0790909 0.789564} Si1799 5391 0.0 -1 14 {} Si 0.0 {0.994081 0.0753464 0.865881} Si1800 5392 0.0 -1 8 {} O 0.0 {0.983044 0.0434033 0.754012} O3593 5393 0.0 -1 8 {} O 0.0 {0.993128 0.0606841 0.897202} O3594 5394 0.0 -1 8 {} O 0.0 {0.985015 0.0690963 0.738104} O3595 5395 0.0 -1 8 {} O 0.0 {0.995448 0.0849948 0.923645} O3596 5396 0.0 -1 8 {} O 0.0 {0.999574 0.0754205 0.830423} O3597 5397 0.0 -1 8 {} O 0.0 {0.988686 0.0806886 0.830644} O3598 5398 0.0 -1 8 {} O 0.0 {0.988609 0.051727 0.990074} O3599 5399 0.0 -1 8 {} O 0.0 {0.978983 0.0559563 0.996191} O3600 5400 0.0 -1 1 {} H 0.0 {0.508031 0.0988029 0.0677673} H1 5401 0.0 -1 8 {} O 0.0 {0.506024 0.0910054 0.0525773} O3601 5402 0.0 -1 1 {} H 0.0 {0.36844 0.119027 0.680821} H2 5403 0.0 -1 1 {} H 0.0 {0.526409 0.0969081 0.916407} H3 5404 0.0 -1 8 {} O 0.0 {0.404865 0.157672 0.968563} O3602 5405 0.0 -1 8 {} O 0.0 {0.485441 0.0929668 0.0534923} O3603 5406 0.0 -1 1 {} H 0.0 {0.518611 0.187937 0.536659} H4 5407 0.0 -1 1 {} H 0.0 {0.469884 0.144965 0.641099} H5 5408 0.0 -1 8 {} O 0.0 {0.442477 0.0989165 0.0880986} O3604 5409 0.0 -1 8 {} O 0.0 {0.301436 0.145206 0.344307} O3605 5410 0.0 -1 1 {} H 0.0 {0.417816 0.0989324 0.0869204} H6 5411 0.0 -1 1 {} H 0.0 {0.328947 0.129438 0.553973} H7 5412 0.0 -1 8 {} O 0.0 {0.421457 0.0947015 0.0755746} O3606 5413 0.0 -1 8 {} O 0.0 {0.39228 0.148695 0.692353} O3607 5414 0.0 -1 1 {} H 0.0 {0.387283 0.105332 0.226972} H8 5415 0.0 -1 1 {} H 0.0 {0.567088 0.203796 0.194487} H9 5416 0.0 -1 8 {} O 0.0 {0.38301 0.0959607 0.0756041} O3608 5417 0.0 -1 8 {} O 0.0 {0.639373 0.138871 0.525112} O3609 5418 0.0 -1 1 {} H 0.0 {0.361591 0.099006 0.0396939} H10 5419 0.0 -1 1 {} H 0.0 {0.251114 0.105998 0.320226} H11 5420 0.0 -1 8 {} O 0.0 {0.361282 0.097983 0.0838624} O3610 5421 0.0 -1 8 {} O 0.0 {0.221516 0.108601 0.260258} O3611 5422 0.0 -1 1 {} H 0.0 {0.268439 0.116759 0.896608} H12 5423 0.0 -1 1 {} H 0.0 {0.37858 0.136313 0.48207} H13 5424 0.0 -1 8 {} O 0.0 {0.320663 0.093073 0.0655772} O3612 5425 0.0 -1 8 {} O 0.0 {0.42257 0.104656 0.938121} O3613 5426 0.0 -1 1 {} H 0.0 {0.342409 0.117374 0.897935} H14 5427 0.0 -1 8 {} O 0.0 {0.222407 0.122652 0.113583} O3614 5428 0.0 -1 1 {} H 0.0 {0.616302 0.0996359 0.00901499} H15 5429 0.0 -1 1 {} H 0.0 {0.583982 0.89651 0.689172} H16 5430 0.0 -1 1 {} H 0.0 {0.585348 0.191699 0.265943} H17 5431 0.0 -1 1 {} H 0.0 {0.567537 0.115388 0.413426} H18 5432 0.0 -1 8 {} O 0.0 {0.633597 0.190994 0.872296} O3615 5433 0.0 -1 1 {} H 0.0 {0.616071 0.18314 0.400993} H19 5434 0.0 -1 1 {} H 0.0 {0.366062 0.176771 0.301964} H20 5435 0.0 -1 8 {} O 0.0 {0.576382 0.215515 0.640306} O3616 5436 0.0 -1 8 {} O 0.0 {0.508692 0.926018 0.716806} O3617 5437 0.0 -1 1 {} H 0.0 {0.577139 0.144404 0.569086} H21 5438 0.0 -1 1 {} H 0.0 {0.553743 0.178893 0.308633} H22 5439 0.0 -1 1 {} H 0.0 {0.430886 0.17307 0.3897} H23 5440 0.0 -1 1 {} H 0.0 {0.48834 0.0886598 0.0288867} H24 5441 0.0 -1 1 {} H 0.0 {0.414566 0.155385 0.162953} H25 5442 0.0 -1 1 {} H 0.0 {0.620731 0.186184 0.562349} H26 5443 0.0 -1 1 {} H 0.0 {0.653267 0.150414 0.908789} H27 5444 0.0 -1 1 {} H 0.0 {0.681951 0.105727 0.0283683} H28 5445 0.0 -1 1 {} H 0.0 {0.567371 0.142155 0.198084} H29 5446 0.0 -1 1 {} H 0.0 {0.581048 0.174178 0.378435} H30 5447 0.0 -1 1 {} H 0.0 {0.530523 0.164069 0.600314} H31 5448 0.0 -1 8 {} O 0.0 {0.291445 0.13257 0.195633} O3618 5449 0.0 -1 8 {} O 0.0 {0.499155 0.135864 0.945506} O3619 5450 0.0 -1 8 {} O 0.0 {0.573431 0.172534 0.816769} O3620 5451 0.0 -1 1 {} H 0.0 {0.579862 0.18934 0.597021} H32 5452 0.0 -1 1 {} H 0.0 {0.589765 0.21879 0.54439} H33 5453 0.0 -1 1 {} H 0.0 {0.629 0.891896 0.893882} H34 5454 0.0 -1 1 {} H 0.0 {0.596528 0.231611 0.806143} H35 5455 0.0 -1 1 {} H 0.0 {0.306595 0.124044 0.936598} H36 5456 0.0 -1 1 {} H 0.0 {0.429019 0.161975 0.966705} H37 5457 0.0 -1 8 {} O 0.0 {0.388931 0.19581 0.659164} O3621 5458 0.0 -1 8 {} O 0.0 {0.645623 0.205654 0.0454352} O3622 5459 0.0 -1 8 {} O 0.0 {0.421802 0.203897 0.616421} O3623 5460 0.0 -1 8 {} O 0.0 {0.676132 0.851085 0.171957} O3624 5461 0.0 -1 8 {} O 0.0 {0.592882 0.0999853 0.0183183} O3625 5462 0.0 -1 1 {} H 0.0 {0.505374 0.175916 0.99208} H38 5463 0.0 -1 1 {} H 0.0 {0.500244 0.146994 0.264264} H39 5464 0.0 -1 1 {} H 0.0 {0.0567023 0.9404 0.737393} H40 5465 0.0 -1 1 {} H 0.0 {0.301993 0.141469 0.301386} H41 5466 0.0 -1 1 {} H 0.0 {0.581457 0.206885 0.399878} H42 5467 0.0 -1 1 {} H 0.0 {0.475025 0.904166 0.881133} H43 5468 0.0 -1 1 {} H 0.0 {0.61423 0.159264 0.367808} H44 5469 0.0 -1 1 {} H 0.0 {0.611758 0.217666 0.300026} H45 5470 0.0 -1 1 {} H 0.0 {0.387338 0.11965 0.29705} H46 5471 0.0 -1 1 {} H 0.0 {0.530044 0.131152 0.135258} H47 5472 0.0 -1 1 {} H 0.0 {0.585177 0.130762 0.445598} H48 5473 0.0 -1 8 {} O 0.0 {0.664366 0.146461 0.79552} O3626 5474 0.0 -1 8 {} O 0.0 {0.587257 0.180247 0.268613} O3627 5475 0.0 -1 8 {} O 0.0 {0.535762 0.131515 0.00446568} O3628 5476 0.0 -1 1 {} H 0.0 {0.347752 0.0861806 0.0463198} H49 5477 0.0 -1 1 {} H 0.0 {0.392208 0.187823 0.520863} H50 5478 0.0 -1 1 {} H 0.0 {0.489936 0.126006 0.0973561} H51 5479 0.0 -1 1 {} H 0.0 {0.576549 0.834379 0.383542} H52 5480 0.0 -1 1 {} H 0.0 {0.413175 0.108483 0.424177} H53 5481 0.0 -1 1 {} H 0.0 {0.448106 0.193855 0.196768} H54 5482 0.0 -1 8 {} O 0.0 {0.349538 0.0924562 0.0186197} O3629 5483 0.0 -1 8 {} O 0.0 {0.556662 0.129669 0.566718} O3630 5484 0.0 -1 8 {} O 0.0 {0.473009 0.896347 0.884961} O3631 5485 0.0 -1 8 {} O 0.0 {0.579393 0.833154 0.352605} O3632 5486 0.0 -1 8 {} O 0.0 {0.365671 0.125309 0.662236} O3633 5487 0.0 -1 1 {} H 0.0 {0.564269 0.167641 0.654037} H55 5488 0.0 -1 1 {} H 0.0 {0.429682 0.108457 0.805886} H56 5489 0.0 -1 1 {} H 0.0 {0.607268 0.915 0.261874} H57 5490 0.0 -1 1 {} H 0.0 {0.334805 0.152185 0.206582} H58 5491 0.0 -1 1 {} H 0.0 {0.392593 0.144081 0.99974} H59 5492 0.0 -1 1 {} H 0.0 {0.578604 0.862933 0.198026} H60 5493 0.0 -1 1 {} H 0.0 {0.603219 0.201554 0.428625} H61 5494 0.0 -1 1 {} H 0.0 {0.471661 0.159691 0.944805} H62 5495 0.0 -1 1 {} H 0.0 {0.493019 0.143948 0.298923} H63 5496 0.0 -1 1 {} H 0.0 {0.514811 0.119324 0.0723468} H64 5497 0.0 -1 1 {} H 0.0 {0.480568 0.102294 0.27729} H65 5498 0.0 -1 8 {} O 0.0 {0.463455 0.1838 0.634291} O3634 5499 0.0 -1 8 {} O 0.0 {0.375421 0.160773 0.721509} O3635 5500 0.0 -1 8 {} O 0.0 {0.439567 0.161696 0.30419} O3636 5501 0.0 -1 1 {} H 0.0 {0.402282 0.168904 0.39621} H66 5502 0.0 -1 1 {} H 0.0 {0.340761 0.0958658 0.20263} H67 5503 0.0 -1 1 {} H 0.0 {0.582069 0.885866 0.38526} H68 5504 0.0 -1 1 {} H 0.0 {0.439768 0.85679 0.604876} H69 5505 0.0 -1 1 {} H 0.0 {0.160568 0.0906925 0.98478} H70 5506 0.0 -1 1 {} H 0.0 {0.339774 0.136504 0.211015} H71 5507 0.0 -1 8 {} O 0.0 {0.48626 0.17804 0.804876} O3637 5508 0.0 -1 8 {} O 0.0 {0.43392 0.142459 0.1334} O3638 5509 0.0 -1 8 {} O 0.0 {0.581062 0.867226 0.168122} O3639 5510 0.0 -1 8 {} O 0.0 {0.392442 0.940421 0.11263} O3640 5511 0.0 -1 8 {} O 0.0 {0.431437 0.167208 0.940955} O3641 5512 0.0 -1 1 {} H 0.0 {0.424898 0.205867 0.640728} H72 5513 0.0 -1 1 {} H 0.0 {0.213187 0.945769 0.709918} H73 5514 0.0 -1 1 {} H 0.0 {0.43159 0.932966 0.136967} H74 5515 0.0 -1 1 {} H 0.0 {0.451839 0.158478 0.145049} H75 5516 0.0 -1 1 {} H 0.0 {0.361747 0.142427 0.374149} H76 5517 0.0 -1 1 {} H 0.0 {0.295095 0.107249 0.391616} H77 5518 0.0 -1 1 {} H 0.0 {0.376085 0.155349 0.313304} H78 5519 0.0 -1 1 {} H 0.0 {0.564668 0.211386 0.14322} H79 5520 0.0 -1 1 {} H 0.0 {0.624219 0.825925 0.990834} H80 5521 0.0 -1 1 {} H 0.0 {0.444681 0.144035 0.582552} H81 5522 0.0 -1 1 {} H 0.0 {0.42591 0.152253 0.553355} H82 5523 0.0 -1 8 {} O 0.0 {0.292154 0.112876 0.380177} O3642 5524 0.0 -1 8 {} O 0.0 {0.304877 0.118126 0.103714} O3643 5525 0.0 -1 8 {} O 0.0 {0.621939 0.833416 0.00179679} O3644 5526 0.0 -1 1 {} H 0.0 {0.237918 0.949427 0.450423} H83 5527 0.0 -1 1 {} H 0.0 {0.295758 0.132883 0.704849} H84 5528 0.0 -1 1 {} H 0.0 {0.351043 0.137845 0.552383} H85 5529 0.0 -1 1 {} H 0.0 {0.371504 0.103239 0.744112} H86 5530 0.0 -1 1 {} H 0.0 {0.376327 0.195368 0.660312} H87 5531 0.0 -1 1 {} H 0.0 {0.527874 0.136141 0.901069} H88 5532 0.0 -1 8 {} O 0.0 {0.233784 0.944161 0.573072} O3645 5533 0.0 -1 8 {} O 0.0 {0.16379 0.0927831 0.0165933} O3646 5534 0.0 -1 8 {} O 0.0 {0.363233 0.154852 0.534976} O3647 5535 0.0 -1 8 {} O 0.0 {0.384734 0.125172 0.118124} O3648 5536 0.0 -1 8 {} O 0.0 {0.432642 0.114849 0.790163} O3649 5537 0.0 -1 1 {} H 0.0 {0.278241 0.136191 0.971972} H89 5538 0.0 -1 1 {} H 0.0 {0.389268 0.177239 0.948682} H90 5539 0.0 -1 1 {} H 0.0 {0.358692 0.163054 0.0802238} H91 5540 0.0 -1 1 {} H 0.0 {0.389721 0.10439 0.409076} H92 5541 0.0 -1 1 {} H 0.0 {0.0775796 0.0878112 0.992503} H93 5542 0.0 -1 1 {} H 0.0 {0.462043 0.147837 0.460576} H94 5543 0.0 -1 1 {} H 0.0 {0.328754 0.105528 0.716674} H95 5544 0.0 -1 1 {} H 0.0 {0.297195 0.14506 0.910906} H96 5545 0.0 -1 1 {} H 0.0 {0.39861 0.126373 0.118636} H97 5546 0.0 -1 1 {} H 0.0 {0.395857 0.169363 0.698999} H98 5547 0.0 -1 1 {} H 0.0 {0.288082 0.106427 0.566808} H99 5548 0.0 -1 8 {} O 0.0 {0.344659 0.120166 0.864898} O3650 5549 0.0 -1 8 {} O 0.0 {0.40941 0.172517 0.623071} O3651 5550 0.0 -1 8 {} O 0.0 {0.292476 0.139049 0.651853} O3652 5551 0.0 -1 1 {} H 0.0 {0.4639 0.174374 0.636901} H100 5552 0.0 -1 1 {} H 0.0 {0.0853788 0.0847677 0.0348288} H101 5553 0.0 -1 1 {} H 0.0 {0.401896 0.102909 0.969564} H102 5554 0.0 -1 1 {} H 0.0 {0.384926 0.222864 0.867507} H103 5555 0.0 -1 1 {} H 0.0 {0.552958 0.832811 0.687212} H104 5556 0.0 -1 1 {} H 0.0 {0.232435 0.114564 0.250671} H105 5557 0.0 -1 8 {} O 0.0 {0.361336 0.131953 0.223895} O3653 5558 0.0 -1 8 {} O 0.0 {0.3133 0.108949 0.766554} O3654 5559 0.0 -1 8 {} O 0.0 {0.271554 0.117525 0.456168} O3655 5560 0.0 -1 8 {} O 0.0 {0.525358 0.129596 0.590002} O3656 5561 0.0 -1 8 {} O 0.0 {0.413101 0.13246 0.260279} O3657 5562 0.0 -1 1 {} H 0.0 {0.391388 0.186816 0.887416} H106 5563 0.0 -1 1 {} H 0.0 {0.323443 0.144401 0.495412} H107 5564 0.0 -1 1 {} H 0.0 {0.372752 0.0973176 0.325143} H108 5565 0.0 -1 1 {} H 0.0 {0.395659 0.136498 0.950733} H109 5566 0.0 -1 1 {} H 0.0 {0.0849342 0.936489 0.772332} H110 5567 0.0 -1 1 {} H 0.0 {0.0292394 0.94386 0.150191} H111 5568 0.0 -1 1 {} H 0.0 {0.357365 0.125823 0.790079} H112 5569 0.0 -1 1 {} H 0.0 {0.274213 0.93452 0.768209} H113 5570 0.0 -1 1 {} H 0.0 {0.394667 0.173925 0.361163} H114 5571 0.0 -1 1 {} H 0.0 {0.322809 0.14164 0.967324} H115 5572 0.0 -1 1 {} H 0.0 {0.358538 0.129988 0.262578} H116 5573 0.0 -1 8 {} O 0.0 {0.384665 0.130172 0.898975} O3658 5574 0.0 -1 8 {} O 0.0 {0.500541 0.119255 0.380028} O3659 5575 0.0 -1 8 {} O 0.0 {0.565558 0.204925 0.566864} O3660 5576 0.0 -1 1 {} H 0.0 {0.429253 0.12761 0.782168} H117 5577 0.0 -1 1 {} H 0.0 {0.209253 0.0956307 0.373686} H118 5578 0.0 -1 1 {} H 0.0 {0.563847 0.841632 0.8495} H119 5579 0.0 -1 1 {} H 0.0 {0.399329 0.145084 0.576048} H120 5580 0.0 -1 1 {} H 0.0 {0.391807 0.902902 0.436322} H121 5581 0.0 -1 1 {} H 0.0 {0.210572 0.110352 0.375222} H122 5582 0.0 -1 8 {} O 0.0 {0.332084 0.155812 0.168116} O3661 5583 0.0 -1 8 {} O 0.0 {0.601863 0.223838 0.0305891} O3662 5584 0.0 -1 8 {} O 0.0 {0.60324 0.233537 0.00710606} O3663 5585 0.0 -1 8 {} O 0.0 {0.405615 0.115606 0.306395} O3664 5586 0.0 -1 8 {} O 0.0 {0.0824182 0.0873991 0.0652122} O3665 5587 0.0 -1 1 {} H 0.0 {0.28938 0.110867 0.803849} H123 5588 0.0 -1 1 {} H 0.0 {0.334408 0.0921968 0.0701138} H124 5589 0.0 -1 8 {} O 0.0 {0.353105 0.099644 0.343725} O3666 5590 0.0 -1 1 {} H 0.0 {0.350459 0.0923801 0.71901} H125 5591 0.0 -1 1 {} H 0.0 {0.299243 0.152693 0.966261} H126 5592 0.0 -1 8 {} O 0.0 {0.548972 0.200205 0.872769} O3667 5593 0.0 -1 8 {} O 0.0 {0.0922608 0.938695 0.91662} O3668 5594 0.0 -1 1 {} H 0.0 {0.669576 0.830791 0.263506} H127 5595 0.0 -1 1 {} H 0.0 {0.578534 0.231338 0.984391} H128 5596 0.0 -1 1 {} H 0.0 {0.57522 0.940089 0.150691} H129 5597 0.0 -1 8 {} O 0.0 {0.565252 0.103593 0.930165} O3669 5598 0.0 -1 1 {} H 0.0 {0.521529 0.836888 0.953535} H130 5599 0.0 -1 1 {} H 0.0 {0.484912 0.918527 0.238471} H131 5600 0.0 -1 8 {} O 0.0 {0.329813 0.927828 0.0904027} O3670 5601 0.0 -1 8 {} O 0.0 {0.575611 0.941148 0.257872} O3671 5602 0.0 -1 1 {} H 0.0 {0.477565 0.915168 0.407982} H132 5603 0.0 -1 1 {} H 0.0 {0.264595 0.942489 0.0913624} H133 5604 0.0 -1 1 {} H 0.0 {0.477916 0.870933 0.316301} H134 5605 0.0 -1 1 {} H 0.0 {0.579095 0.234992 0.776265} H135 5606 0.0 -1 1 {} H 0.0 {0.588851 0.88587 0.52792} H136 5607 0.0 -1 1 {} H 0.0 {0.516529 0.147695 0.811715} H137 5608 0.0 -1 1 {} H 0.0 {0.342862 0.915363 0.463613} H138 5609 0.0 -1 1 {} H 0.0 {0.504318 0.93973 0.719915} H139 5610 0.0 -1 1 {} H 0.0 {0.62789 0.846411 0.757911} H140 5611 0.0 -1 1 {} H 0.0 {0.673102 0.844289 0.183011} H141 5612 0.0 -1 1 {} H 0.0 {0.417111 0.943495 0.226565} H142 5613 0.0 -1 8 {} O 0.0 {0.406262 0.883741 0.935164} O3672 5614 0.0 -1 8 {} O 0.0 {0.529334 0.893836 0.179152} O3673 5615 0.0 -1 8 {} O 0.0 {0.49319 0.95018 0.899617} O3674 5616 0.0 -1 1 {} H 0.0 {0.509688 0.923216 0.761314} H143 5617 0.0 -1 1 {} H 0.0 {0.463503 0.947485 0.768023} H144 5618 0.0 -1 1 {} H 0.0 {0.431999 0.938759 0.471409} H145 5619 0.0 -1 1 {} H 0.0 {0.292027 0.924347 0.362391} H146 5620 0.0 -1 1 {} H 0.0 {0.496666 0.884425 0.421236} H147 5621 0.0 -1 1 {} H 0.0 {0.63812 0.925474 0.639229} H148 5622 0.0 -1 8 {} O 0.0 {0.540223 0.183015 0.191755} O3675 5623 0.0 -1 8 {} O 0.0 {0.48396 0.912316 0.522184} O3676 5624 0.0 -1 8 {} O 0.0 {0.773979 0.906954 0.625596} O3677 5625 0.0 -1 8 {} O 0.0 {0.64035 0.917449 0.647786} O3678 5626 0.0 -1 8 {} O 0.0 {0.468596 0.167277 0.237004} O3679 5627 0.0 -1 1 {} H 0.0 {0.250932 0.949304 0.21158} H149 5628 0.0 -1 1 {} H 0.0 {0.303891 0.110133 0.000415198} H150 5629 0.0 -1 1 {} H 0.0 {0.45789 0.947108 0.23107} H151 5630 0.0 -1 1 {} H 0.0 {0.565842 0.163073 0.182819} H152 5631 0.0 -1 1 {} H 0.0 {0.546189 0.922584 0.912343} H153 5632 0.0 -1 1 {} H 0.0 {0.600906 0.938767 0.557199} H154 5633 0.0 -1 1 {} H 0.0 {0.645954 0.936112 0.833223} H155 5634 0.0 -1 1 {} H 0.0 {0.476292 0.90976 0.0860192} H156 5635 0.0 -1 1 {} H 0.0 {0.423995 0.860004 0.710254} H157 5636 0.0 -1 1 {} H 0.0 {0.92706 0.931872 0.389696} H158 5637 0.0 -1 1 {} H 0.0 {0.645884 0.156052 0.951018} H159 5638 0.0 -1 8 {} O 0.0 {0.423943 0.922429 0.85648} O3680 5639 0.0 -1 8 {} O 0.0 {0.293379 0.147189 0.0384664} O3681 5640 0.0 -1 8 {} O 0.0 {0.479811 0.906875 0.102904} O3682 5641 0.0 -1 1 {} H 0.0 {0.378673 0.946336 0.770498} H160 5642 0.0 -1 1 {} H 0.0 {0.342085 0.943124 0.775879} H161 5643 0.0 -1 1 {} H 0.0 {0.441512 0.944256 0.529956} H162 5644 0.0 -1 1 {} H 0.0 {0.487845 0.915684 0.510238} H163 5645 0.0 -1 1 {} H 0.0 {0.673197 0.837788 0.360061} H164 5646 0.0 -1 1 {} H 0.0 {0.421013 0.928825 0.86669} H165 5647 0.0 -1 8 {} O 0.0 {0.575404 0.229546 0.00806307} O3683 5648 0.0 -1 8 {} O 0.0 {0.553115 0.860695 0.583942} O3684 5649 0.0 -1 8 {} O 0.0 {0.45419 0.950083 0.228917} O3685 5650 0.0 -1 8 {} O 0.0 {0.491661 0.85554 0.629629} O3686 5651 0.0 -1 8 {} O 0.0 {0.694238 0.175113 0.0121317} O3687 5652 0.0 -1 1 {} H 0.0 {0.492036 0.845286 0.429372} H166 5653 0.0 -1 1 {} H 0.0 {0.384708 0.183149 0.88882} H167 5654 0.0 -1 1 {} H 0.0 {0.477482 0.9395 0.403157} H168 5655 0.0 -1 1 {} H 0.0 {0.346521 0.913844 0.52315} H169 5656 0.0 -1 1 {} H 0.0 {0.483243 0.868652 0.948893} H170 5657 0.0 -1 1 {} H 0.0 {0.577474 0.098335 0.0289007} H171 5658 0.0 -1 1 {} H 0.0 {0.419248 0.145201 0.439695} H172 5659 0.0 -1 1 {} H 0.0 {0.604799 0.937962 0.504129} H173 5660 0.0 -1 1 {} H 0.0 {0.478988 0.856427 0.304823} H174 5661 0.0 -1 1 {} H 0.0 {0.415724 0.902391 0.00777804} H175 5662 0.0 -1 1 {} H 0.0 {0.502799 0.165361 0.751792} H176 5663 0.0 -1 8 {} O 0.0 {0.432805 0.861691 0.302388} O3688 5664 0.0 -1 8 {} O 0.0 {0.579227 0.909415 0.693934} O3689 5665 0.0 -1 8 {} O 0.0 {0.477096 0.862355 0.336284} O3690 5666 0.0 -1 1 {} H 0.0 {0.398623 0.927359 0.728355} H177 5667 0.0 -1 1 {} H 0.0 {0.667915 0.829956 0.359597} H178 5668 0.0 -1 1 {} H 0.0 {0.792317 0.931632 0.829089} H179 5669 0.0 -1 1 {} H 0.0 {0.452672 0.937647 0.924249} H180 5670 0.0 -1 1 {} H 0.0 {0.606404 0.913267 0.991394} H181 5671 0.0 -1 1 {} H 0.0 {0.429125 0.865581 0.307331} H182 5672 0.0 -1 8 {} O 0.0 {0.345525 0.909181 0.482002} O3691 5673 0.0 -1 8 {} O 0.0 {0.506823 0.855604 0.885143} O3692 5674 0.0 -1 8 {} O 0.0 {0.451908 0.937381 0.0975182} O3693 5675 0.0 -1 8 {} O 0.0 {0.564713 0.924318 0.599429} O3694 5676 0.0 -1 8 {} O 0.0 {0.410814 0.155208 0.17429} O3695 5677 0.0 -1 1 {} H 0.0 {0.534924 0.861513 0.860269} H183 5678 0.0 -1 1 {} H 0.0 {0.166857 0.0892129 0.989901} H184 5679 0.0 -1 1 {} H 0.0 {0.458406 0.873173 0.64815} H185 5680 0.0 -1 1 {} H 0.0 {0.693622 0.91006 0.852092} H186 5681 0.0 -1 1 {} H 0.0 {0.387403 0.910317 0.741101} H187 5682 0.0 -1 1 {} H 0.0 {0.424514 0.0985836 0.275415} H188 5683 0.0 -1 1 {} H 0.0 {0.508419 0.149141 0.366951} H189 5684 0.0 -1 1 {} H 0.0 {0.561818 0.930922 0.419996} H190 5685 0.0 -1 1 {} H 0.0 {0.47438 0.931071 0.871822} H191 5686 0.0 -1 1 {} H 0.0 {0.645206 0.825734 0.299304} H192 5687 0.0 -1 1 {} H 0.0 {0.529016 0.155261 0.109146} H193 5688 0.0 -1 8 {} O 0.0 {0.671476 0.829195 0.345646} O3696 5689 0.0 -1 8 {} O 0.0 {0.582692 0.196119 0.959647} O3697 5690 0.0 -1 8 {} O 0.0 {0.480874 0.887812 0.302459} O3698 5691 0.0 -1 1 {} H 0.0 {0.482001 0.895229 0.277125} H194 5692 0.0 -1 1 {} H 0.0 {0.655355 0.842443 0.274719} H195 5693 0.0 -1 1 {} H 0.0 {0.545301 0.908368 0.363438} H196 5694 0.0 -1 1 {} H 0.0 {0.344618 0.930019 0.000344289} H197 5695 0.0 -1 1 {} H 0.0 {0.506026 0.896662 0.410522} H198 5696 0.0 -1 1 {} H 0.0 {0.367357 0.148088 0.314151} H199 5697 0.0 -1 8 {} O 0.0 {0.428606 0.896972 0.219387} O3699 5698 0.0 -1 8 {} O 0.0 {0.543642 0.900151 0.380584} O3700 5699 0.0 -1 8 {} O 0.0 {0.594754 0.836848 0.529168} O3701 5700 0.0 -1 8 {} O 0.0 {0.440161 0.137004 0.442153} O3702 5701 0.0 -1 8 {} O 0.0 {0.371843 0.179944 0.518382} O3703 5702 0.0 -1 1 {} H 0.0 {0.549179 0.886215 0.375165} H200 5703 0.0 -1 1 {} H 0.0 {0.678528 0.905877 0.855369} H201 5704 0.0 -1 1 {} H 0.0 {0.46427 0.152158 0.633766} H202 5705 0.0 -1 1 {} H 0.0 {0.71629 0.913508 0.750096} H203 5706 0.0 -1 1 {} H 0.0 {0.414428 0.865493 0.854278} H204 5707 0.0 -1 1 {} H 0.0 {0.504545 0.951633 0.161573} H205 5708 0.0 -1 1 {} H 0.0 {0.495797 0.917675 0.0587618} H206 5709 0.0 -1 1 {} H 0.0 {0.513094 0.09873 0.657468} H207 5710 0.0 -1 1 {} H 0.0 {0.234546 0.127621 0.10306} H208 5711 0.0 -1 1 {} H 0.0 {0.6454 0.846401 0.579119} H209 5712 0.0 -1 1 {} H 0.0 {0.383293 0.140271 0.9716} H210 5713 0.0 -1 8 {} O 0.0 {0.510063 0.924274 0.0153512} O3704 5714 0.0 -1 8 {} O 0.0 {0.262207 0.112341 0.609696} O3705 5715 0.0 -1 8 {} O 0.0 {0.231627 0.124323 0.250985} O3706 5716 0.0 -1 1 {} H 0.0 {0.613035 0.877572 0.499114} H211 5717 0.0 -1 1 {} H 0.0 {0.566744 0.840404 0.0352863} H212 5718 0.0 -1 1 {} H 0.0 {0.521639 0.858962 0.499533} H213 5719 0.0 -1 1 {} H 0.0 {0.467035 0.895803 0.83842} H214 5720 0.0 -1 1 {} H 0.0 {0.354769 0.00509159 0.790563} H215 5721 0.0 -1 1 {} H 0.0 {0.537358 0.17079 0.040068} H216 5722 0.0 -1 8 {} O 0.0 {0.538629 0.819404 0.354603} O3707 5723 0.0 -1 8 {} O 0.0 {0.312352 0.950163 0.232369} O3708 5724 0.0 -1 8 {} O 0.0 {0.582184 0.206356 0.777566} O3709 5725 0.0 -1 8 {} O 0.0 {0.543724 0.111398 0.538257} O3710 5726 0.0 -1 8 {} O 0.0 {0.504636 0.948768 0.20479} O3711 5727 0.0 -1 1 {} H 0.0 {0.408558 0.869208 0.913709} H217 5728 0.0 -1 1 {} H 0.0 {0.210143 0.0936039 0.729417} H218 5729 0.0 -1 1 {} H 0.0 {0.462718 0.87237 0.373812} H219 5730 0.0 -1 1 {} H 0.0 {0.644199 0.114644 0.8074} H220 5731 0.0 -1 1 {} H 0.0 {0.177387 0.09441 0.000926759} H221 5732 0.0 -1 1 {} H 0.0 {0.254806 0.102165 0.611988} H222 5733 0.0 -1 1 {} H 0.0 {0.159285 0.0928219 0.361626} H223 5734 0.0 -1 1 {} H 0.0 {0.386824 0.101687 0.926312} H224 5735 0.0 -1 1 {} H 0.0 {0.352971 0.00997366 0.773945} H225 5736 0.0 -1 1 {} H 0.0 {0.208073 0.0851932 0.67684} H226 5737 0.0 -1 1 {} H 0.0 {0.175848 0.0994974 0.0708228} H227 5738 0.0 -1 8 {} O 0.0 {0.518051 0.861536 0.506858} O3712 5739 0.0 -1 8 {} O 0.0 {0.206854 0.091573 0.706424} O3713 5740 0.0 -1 8 {} O 0.0 {0.392423 0.113462 0.736196} O3714 5741 0.0 -1 1 {} H 0.0 {0.292759 0.147365 0.08443} H228 5742 0.0 -1 1 {} H 0.0 {0.689764 0.886525 0.40704} H229 5743 0.0 -1 1 {} H 0.0 {0.105005 0.0884476 0.324695} H230 5744 0.0 -1 1 {} H 0.0 {0.538177 0.866863 0.722074} H231 5745 0.0 -1 1 {} H 0.0 {0.651908 0.829973 0.106244} H232 5746 0.0 -1 1 {} H 0.0 {0.51644 0.861925 0.466842} H233 5747 0.0 -1 8 {} O 0.0 {0.123211 0.0866273 0.0786559} O3715 5748 0.0 -1 8 {} O 0.0 {0.102185 0.0910365 0.360416} O3716 5749 0.0 -1 8 {} O 0.0 {0.582233 0.813847 0.996519} O3717 5750 0.0 -1 8 {} O 0.0 {0.498396 0.916482 0.0259649} O3718 5751 0.0 -1 8 {} O 0.0 {0.179064 0.0987126 0.0390291} O3719 5752 0.0 -1 1 {} H 0.0 {0.880635 0.943344 0.103853} H234 5753 0.0 -1 1 {} H 0.0 {0.61879 0.923186 0.0809935} H235 5754 0.0 -1 1 {} H 0.0 {0.426105 0.94331 0.407798} H236 5755 0.0 -1 8 {} O 0.0 {0.68762 0.881908 0.437012} O3720 5756 0.0 -1 1 {} H 0.0 {0.469825 0.915612 0.357601} H237 5757 0.0 -1 1 {} H 0.0 {0.125491 0.0821916 0.0445779} H238 5758 0.0 -1 8 {} O 0.0 {0.594495 0.930458 0.726342} O3721 5759 0.0 -1 8 {} O 0.0 {0.102045 0.0861889 0.0341202} O3722 5760 0.0 -1 1 {} H 0.0 {0.427957 0.941514 0.0602233} H239 5761 0.0 -1 8 {} O 0.0 {0.433534 0.944873 0.246771} O3723 5762 0.0 -1 1 {} H 0.0 {0.510628 0.902581 0.980223} H240 5763 0.0 -1 1 {} H 0.0 {0.697666 0.94007 0.113852} H241 5764 0.0 -1 1 {} H 0.0 {0.385272 0.941023 0.406001} H242 5765 0.0 -1 1 {} H 0.0 {0.397351 0.939129 0.597639} H243 5766 0.0 -1 8 {} O 0.0 {0.393495 0.94134 0.589419} O3724 5767 0.0 -1 1 {} H 0.0 {0.323969 0.938144 0.371649} H244 5768 0.0 -1 1 {} H 0.0 {0.446312 0.944776 0.0698929} H245 5769 0.0 -1 1 {} H 0.0 {0.451798 0.941888 0.380854} H246 5770 0.0 -1 1 {} H 0.0 {0.528796 0.891172 0.455462} H247 5771 0.0 -1 8 {} O 0.0 {0.452629 0.934492 0.40516} O3725 5772 0.0 -1 1 {} H 0.0 {0.594097 0.833512 0.963549} H248 5773 0.0 -1 1 {} H 0.0 {0.493239 0.938751 0.342614} H249 5774 0.0 -1 1 {} H 0.0 {0.501827 0.847931 0.363196} H250 5775 0.0 -1 1 {} H 0.0 {0.505045 0.851936 0.307106} H251 5776 0.0 -1 8 {} O 0.0 {0.503132 0.856199 0.342007} O3726 5777 0.0 -1 1 {} H 0.0 {0.410477 0.870852 0.21885} H252 5778 0.0 -1 1 {} H 0.0 {0.59713 0.84439 0.527003} H253 5779 0.0 -1 1 {} H 0.0 {0.409814 0.879298 0.279682} H254 5780 0.0 -1 1 {} H 0.0 {0.465906 0.853955 0.0393143} H255 5781 0.0 -1 8 {} O 0.0 {0.408847 0.924403 0.876568} O3727 5782 0.0 -1 1 {} H 0.0 {0.676219 0.850489 0.126176} H256 5783 0.0 -1 1 {} H 0.0 {0.484626 0.177074 0.569855} H257 5784 0.0 -1 1 {} H 0.0 {0.576009 0.16798 0.670345} H258 5785 0.0 -1 1 {} H 0.0 {0.382178 0.915348 0.105577} H259 5786 0.0 -1 8 {} O 0.0 {0.384441 0.918482 0.0690437} O3728 5787 0.0 -1 1 {} H 0.0 {0.436044 0.901678 0.337956} H260 5788 0.0 -1 1 {} H 0.0 {0.362553 0.906345 0.35354} H261 5789 0.0 -1 1 {} H 0.0 {0.478605 0.828062 0.971291} H262 5790 0.0 -1 1 {} H 0.0 {0.570191 0.878336 0.295776} H263 5791 0.0 -1 8 {} O 0.0 {0.568895 0.87085 0.26892} O3729 5792 0.0 -1 1 {} H 0.0 {0.49488 0.911738 0.671695} H264 5793 0.0 -1 1 {} H 0.0 {0.449961 0.139596 0.708282} H265 5794 0.0 -1 1 {} H 0.0 {0.607816 0.135971 0.114416} H266 5795 0.0 -1 1 {} H 0.0 {0.407987 0.10162 0.436708} H267 5796 0.0 -1 1 {} H 0.0 {0.579298 0.207121 0.809179} H268 5797 0.0 -1 8 {} O 0.0 {0.66455 0.136738 0.147403} O3730 5798 0.0 -1 8 {} O 0.0 {0.519545 0.162694 0.488645} O3731 5799 0.0 -1 1 {} H 0.0 {0.542333 0.118244 0.751907} H269 5800 0.0 -1 1 {} H 0.0 {0.623579 0.125393 0.638169} H270 5801 0.0 -1 1 {} H 0.0 {0.410608 0.110281 0.785262} H271 5802 0.0 -1 1 {} H 0.0 {0.493694 0.139378 0.787281} H272 5803 0.0 -1 1 {} H 0.0 {0.535697 0.14689 0.656357} H273 5804 0.0 -1 1 {} H 0.0 {0.5214 0.0979409 0.947542} H274 5805 0.0 -1 1 {} H 0.0 {0.58183 0.118124 0.752138} H275 5806 0.0 -1 1 {} H 0.0 {0.614214 0.220652 0.208185} H276 5807 0.0 -1 1 {} H 0.0 {0.490854 0.158317 0.861072} H277 5808 0.0 -1 1 {} H 0.0 {0.416166 0.162377 0.849646} H278 5809 0.0 -1 1 {} H 0.0 {0.577831 0.183131 0.537251} H279 5810 0.0 -1 8 {} O 0.0 {0.536259 0.104022 0.718917} O3732 5811 0.0 -1 8 {} O 0.0 {0.564671 0.207901 0.930687} O3733 5812 0.0 -1 8 {} O 0.0 {0.485568 0.100342 0.412065} O3734 5813 0.0 -1 1 {} H 0.0 {0.486667 0.0976647 0.366245} H280 5814 0.0 -1 1 {} H 0.0 {0.553552 0.167799 0.762012} H281 5815 0.0 -1 1 {} H 0.0 {0.603288 0.125409 0.285633} H282 5816 0.0 -1 1 {} H 0.0 {0.315912 0.149195 0.94667} H283 5817 0.0 -1 1 {} H 0.0 {0.373373 0.193704 0.356471} H284 5818 0.0 -1 1 {} H 0.0 {0.540258 0.100494 0.265942} H285 5819 0.0 -1 8 {} O 0.0 {0.443002 0.149961 0.549311} O3735 5820 0.0 -1 8 {} O 0.0 {0.530872 0.130732 0.701244} O3736 5821 0.0 -1 8 {} O 0.0 {0.628532 0.194906 0.742197} O3737 5822 0.0 -1 8 {} O 0.0 {0.58609 0.233642 0.900912} O3738 5823 0.0 -1 8 {} O 0.0 {0.486462 0.161818 0.0174938} O3739 5824 0.0 -1 1 {} H 0.0 {0.539797 0.198805 0.844184} H286 5825 0.0 -1 1 {} H 0.0 {0.455548 0.14296 0.62911} H287 5826 0.0 -1 1 {} H 0.0 {0.442611 0.0991904 0.0368718} H288 5827 0.0 -1 1 {} H 0.0 {0.481657 0.119412 0.382202} H289 5828 0.0 -1 1 {} H 0.0 {0.444634 0.0844528 0.346689} H290 5829 0.0 -1 1 {} H 0.0 {0.52327 0.170594 0.0284174} H291 5830 0.0 -1 1 {} H 0.0 {0.538029 0.193219 0.783376} H292 5831 0.0 -1 1 {} H 0.0 {0.470199 0.097063 0.69365} H293 5832 0.0 -1 1 {} H 0.0 {0.376481 0.147172 0.891736} H294 5833 0.0 -1 1 {} H 0.0 {0.465957 0.172624 0.084067} H295 5834 0.0 -1 1 {} H 0.0 {0.4531 0.123612 0.260732} H296 5835 0.0 -1 8 {} O 0.0 {0.573112 0.231443 0.762498} O3740 5836 0.0 -1 8 {} O 0.0 {0.464488 0.175323 0.124565} O3741 5837 0.0 -1 8 {} O 0.0 {0.513069 0.110698 0.0657155} O3742 5838 0.0 -1 1 {} H 0.0 {0.456147 0.158724 0.385391} H297 5839 0.0 -1 1 {} H 0.0 {0.451472 0.122471 0.410481} H298 5840 0.0 -1 1 {} H 0.0 {0.510828 0.0981388 0.387214} H299 5841 0.0 -1 1 {} H 0.0 {0.522851 0.122415 0.294378} H300 5842 0.0 -1 1 {} H 0.0 {0.291812 0.1258 0.434489} H301 5843 0.0 -1 1 {} H 0.0 {0.466732 0.0973712 0.397757} H302 5844 0.0 -1 8 {} O 0.0 {0.417907 0.159716 0.685076} O3743 5845 0.0 -1 8 {} O 0.0 {0.534052 0.111098 0.432819} O3744 5846 0.0 -1 8 {} O 0.0 {0.521211 0.129488 0.318959} O3745 5847 0.0 -1 8 {} O 0.0 {0.385874 0.128545 0.666253} O3746 5848 0.0 -1 8 {} O 0.0 {0.463271 0.0940762 0.394772} O3747 5849 0.0 -1 1 {} H 0.0 {0.516409 0.158114 0.683363} H303 5850 0.0 -1 1 {} H 0.0 {0.52414 0.120295 0.588912} H304 5851 0.0 -1 1 {} H 0.0 {0.417172 0.150013 0.693722} H305 5852 0.0 -1 1 {} H 0.0 {0.412776 0.113206 0.0387823} H306 5853 0.0 -1 1 {} H 0.0 {0.470535 0.124666 0.0228934} H307 5854 0.0 -1 1 {} H 0.0 {0.39816 0.140018 0.818928} H308 5855 0.0 -1 1 {} H 0.0 {0.496711 0.156159 0.612087} H309 5856 0.0 -1 1 {} H 0.0 {0.385155 0.137123 0.0462711} H310 5857 0.0 -1 1 {} H 0.0 {0.390165 0.138729 0.682061} H311 5858 0.0 -1 1 {} H 0.0 {0.313943 0.118428 0.686201} H312 5859 0.0 -1 1 {} H 0.0 {0.462692 0.178817 0.462817} H313 5860 0.0 -1 8 {} O 0.0 {0.47481 0.155782 0.150996} O3748 5861 0.0 -1 8 {} O 0.0 {0.437433 0.177775 0.646515} O3749 5862 0.0 -1 8 {} O 0.0 {0.421952 0.0963691 0.413987} O3750 5863 0.0 -1 1 {} H 0.0 {0.420978 0.0933193 0.369515} H314 5864 0.0 -1 1 {} H 0.0 {0.371512 0.121239 0.18029} H315 5865 0.0 -1 1 {} H 0.0 {0.39716 0.12633 0.220664} H316 5866 0.0 -1 1 {} H 0.0 {0.450794 0.104314 0.0706534} H317 5867 0.0 -1 1 {} H 0.0 {0.525071 0.141907 0.370173} H318 5868 0.0 -1 1 {} H 0.0 {0.489931 0.171696 0.611233} H319 5869 0.0 -1 8 {} O 0.0 {0.367665 0.121898 0.441646} O3751 5870 0.0 -1 8 {} O 0.0 {0.368414 0.149107 0.266698} O3752 5871 0.0 -1 8 {} O 0.0 {0.366421 0.12609 0.0586806} O3753 5872 0.0 -1 8 {} O 0.0 {0.598901 0.145537 0.987915} O3754 5873 0.0 -1 8 {} O 0.0 {0.442985 0.0902424 0.378171} O3755 5874 0.0 -1 1 {} H 0.0 {0.326464 0.135532 0.905985} H320 5875 0.0 -1 1 {} H 0.0 {0.484199 0.177492 0.654791} H321 5876 0.0 -1 1 {} H 0.0 {0.383642 0.095127 0.0271935} H322 5877 0.0 -1 1 {} H 0.0 {0.388209 0.121092 0.685763} H323 5878 0.0 -1 1 {} H 0.0 {0.384111 0.085118 0.344525} H324 5879 0.0 -1 1 {} H 0.0 {0.397625 0.182178 0.453808} H325 5880 0.0 -1 1 {} H 0.0 {0.324931 0.105894 0.92592} H326 5881 0.0 -1 1 {} H 0.0 {0.494024 0.152628 0.920428} H327 5882 0.0 -1 1 {} H 0.0 {0.551331 0.198832 0.219414} H328 5883 0.0 -1 1 {} H 0.0 {0.388071 0.210934 0.885166} H329 5884 0.0 -1 1 {} H 0.0 {0.399905 0.102682 0.0988199} H330 5885 0.0 -1 8 {} O 0.0 {0.483964 0.106236 0.278971} O3756 5886 0.0 -1 8 {} O 0.0 {0.401338 0.0969594 0.0669098} O3757 5887 0.0 -1 8 {} O 0.0 {0.400602 0.0907236 0.395778} O3758 5888 0.0 -1 1 {} H 0.0 {0.398287 0.0980499 0.413539} H331 5889 0.0 -1 1 {} H 0.0 {0.445702 0.0994184 0.596333} H332 5890 0.0 -1 1 {} H 0.0 {0.488438 0.12165 0.772488} H333 5891 0.0 -1 1 {} H 0.0 {0.378358 0.190565 0.93014} H334 5892 0.0 -1 1 {} H 0.0 {0.472167 0.160494 0.176427} H335 5893 0.0 -1 1 {} H 0.0 {0.249531 0.122598 0.69512} H336 5894 0.0 -1 8 {} O 0.0 {0.233954 0.112161 0.772472} O3759 5895 0.0 -1 8 {} O 0.0 {0.40943 0.110215 0.430021} O3760 5896 0.0 -1 8 {} O 0.0 {0.43001 0.121037 0.481021} O3761 5897 0.0 -1 8 {} O 0.0 {0.524565 0.131759 0.91042} O3762 5898 0.0 -1 8 {} O 0.0 {0.469486 0.129656 0.177516} O3763 5899 0.0 -1 1 {} H 0.0 {0.407534 0.203459 0.556865} H337 5900 0.0 -1 1 {} H 0.0 {0.40447 0.162597 0.924083} H338 5901 0.0 -1 1 {} H 0.0 {0.413745 0.135578 0.931404} H339 5902 0.0 -1 1 {} H 0.0 {0.421231 0.151434 0.0407999} H340 5903 0.0 -1 1 {} H 0.0 {0.391012 0.11511 0.462597} H341 5904 0.0 -1 1 {} H 0.0 {0.325649 0.138622 0.783227} H342 5905 0.0 -1 1 {} H 0.0 {0.42426 0.159184 0.61476} H343 5906 0.0 -1 1 {} H 0.0 {0.425024 0.165675 0.308591} H344 5907 0.0 -1 1 {} H 0.0 {0.579232 0.138249 0.169993} H345 5908 0.0 -1 1 {} H 0.0 {0.445649 0.146109 0.787647} H346 5909 0.0 -1 1 {} H 0.0 {0.425504 0.145472 0.118924} H347 5910 0.0 -1 8 {} O 0.0 {0.426375 0.160666 0.575729} O3764 5911 0.0 -1 8 {} O 0.0 {0.288684 0.114206 0.76084} O3765 5912 0.0 -1 8 {} O 0.0 {0.324836 0.150417 0.371806} O3766 5913 0.0 -1 1 {} H 0.0 {0.384506 0.139343 0.425238} H348 5914 0.0 -1 1 {} H 0.0 {0.43231 0.205094 0.715314} H349 5915 0.0 -1 1 {} H 0.0 {0.364213 0.120611 0.624846} H350 5916 0.0 -1 1 {} H 0.0 {0.306296 0.102879 0.934897} H351 5917 0.0 -1 1 {} H 0.0 {0.424798 0.145024 0.989702} H352 5918 0.0 -1 1 {} H 0.0 {0.396317 0.148806 0.191019} H353 5919 0.0 -1 8 {} O 0.0 {0.481602 0.129738 0.381603} O3767 5920 0.0 -1 8 {} O 0.0 {0.421355 0.104473 0.282539} O3768 5921 0.0 -1 8 {} O 0.0 {0.41291 0.110352 0.0834825} O3769 5922 0.0 -1 8 {} O 0.0 {0.338255 0.126003 0.752193} O3770 5923 0.0 -1 8 {} O 0.0 {0.38336 0.0907151 0.382869} O3771 5924 0.0 -1 1 {} H 0.0 {0.331405 0.141232 0.602884} H354 5925 0.0 -1 1 {} H 0.0 {0.453283 0.194716 0.61079} H355 5926 0.0 -1 1 {} H 0.0 {0.344218 0.120422 0.0892803} H356 5927 0.0 -1 1 {} H 0.0 {0.36872 0.149075 0.575496} H357 5928 0.0 -1 1 {} H 0.0 {0.361246 0.13652 0.00681536} H358 5929 0.0 -1 1 {} H 0.0 {0.320653 0.154797 0.450914} H359 5930 0.0 -1 1 {} H 0.0 {0.313275 0.0997079 0.399576} H360 5931 0.0 -1 1 {} H 0.0 {0.453647 0.159294 0.561094} H361 5932 0.0 -1 1 {} H 0.0 {0.264193 0.099965 0.101625} H362 5933 0.0 -1 1 {} H 0.0 {0.196208 0.0952563 0.381023} H363 5934 0.0 -1 1 {} H 0.0 {0.55323 0.185317 0.168526} H364 5935 0.0 -1 8 {} O 0.0 {0.232026 0.134284 0.1311} O3772 5936 0.0 -1 8 {} O 0.0 {0.385613 0.143317 0.00810905} O3773 5937 0.0 -1 8 {} O 0.0 {0.342111 0.0964743 0.388896} O3774 5938 0.0 -1 1 {} H 0.0 {0.345955 0.0963659 0.371952} H365 5939 0.0 -1 1 {} H 0.0 {0.229916 0.107511 0.43551} H366 5940 0.0 -1 1 {} H 0.0 {0.380271 0.180647 0.0140581} H367 5941 0.0 -1 1 {} H 0.0 {0.358648 0.150135 0.997116} H368 5942 0.0 -1 1 {} H 0.0 {0.233156 0.107536 0.0487512} H369 5943 0.0 -1 1 {} H 0.0 {0.367703 0.0912188 0.391911} H370 5944 0.0 -1 8 {} O 0.0 {0.263806 0.128344 0.193362} O3775 5945 0.0 -1 8 {} O 0.0 {0.275654 0.110428 0.652119} O3776 5946 0.0 -1 8 {} O 0.0 {0.301377 0.126572 0.249103} O3777 5947 0.0 -1 8 {} O 0.0 {0.291384 0.152083 0.383274} O3778 5948 0.0 -1 8 {} O 0.0 {0.363807 0.0896431 0.396421} O3779 5949 0.0 -1 1 {} H 0.0 {0.314404 0.109448 0.623335} H371 5950 0.0 -1 1 {} H 0.0 {0.22082 0.0894733 0.0205124} H372 5951 0.0 -1 1 {} H 0.0 {0.258534 0.103925 0.276925} H373 5952 0.0 -1 1 {} H 0.0 {0.305091 0.0853827 0.026949} H374 5953 0.0 -1 8 {} O 0.0 {0.348098 0.123798 0.490963} O3780 5954 0.0 -1 8 {} O 0.0 {0.303562 0.0895185 0.06497} O3781 5955 0.0 -1 1 {} H 0.0 {0.130008 0.0995874 0.0589401} H375 5956 0.0 -1 1 {} H 0.0 {0.310487 0.121585 0.164799} H376 5957 0.0 -1 8 {} O 0.0 {0.241838 0.0914494 0.0439477} O3782 5958 0.0 -1 8 {} O 0.0 {0.364678 0.146946 0.393404} O3783 5959 0.0 -1 1 {} H 0.0 {0.605633 0.207009 0.527138} H377 5960 0.0 -1 1 {} H 0.0 {0.523231 0.0978713 0.591845} H378 5961 0.0 -1 1 {} H 0.0 {0.36641 0.158075 0.258005} H379 5962 0.0 -1 1 {} H 0.0 {0.553194 0.820844 0.776534} H380 5963 0.0 -1 8 {} O 0.0 {0.42757 0.176671 0.374626} O3784 5964 0.0 -1 1 {} H 0.0 {0.657909 0.152717 0.492427} H381 5965 0.0 -1 1 {} H 0.0 {0.740323 0.122279 0.630247} H382 5966 0.0 -1 1 {} H 0.0 {0.640428 0.111562 0.590899} H383 5967 0.0 -1 8 {} O 0.0 {0.550369 0.130793 0.451516} O3785 5968 0.0 -1 8 {} O 0.0 {0.548672 0.141179 0.980729} O3786 5969 0.0 -1 8 {} O 0.0 {0.638053 0.119718 0.612008} O3787 5970 0.0 -1 1 {} H 0.0 {0.668956 0.160603 0.229092} H384 5971 0.0 -1 1 {} H 0.0 {0.442275 0.137867 0.833226} H385 5972 0.0 -1 1 {} H 0.0 {0.578404 0.200539 0.0436215} H386 5973 0.0 -1 1 {} H 0.0 {0.440088 0.157736 0.155812} H387 5974 0.0 -1 1 {} H 0.0 {0.613345 0.104544 0.454345} H388 5975 0.0 -1 1 {} H 0.0 {0.359968 0.103651 0.534235} H389 5976 0.0 -1 1 {} H 0.0 {0.38833 0.132173 0.882542} H390 5977 0.0 -1 1 {} H 0.0 {0.504181 0.149056 0.723103} H391 5978 0.0 -1 1 {} H 0.0 {0.664832 0.83978 0.235982} H392 5979 0.0 -1 1 {} H 0.0 {0.405061 0.1231 0.698963} H393 5980 0.0 -1 1 {} H 0.0 {0.244686 0.108364 0.907024} H394 5981 0.0 -1 1 {} H 0.0 {0.59194 0.113014 0.586867} H395 5982 0.0 -1 1 {} H 0.0 {0.415782 0.210393 0.550279} H396 5983 0.0 -1 1 {} H 0.0 {0.584506 0.234102 0.831884} H397 5984 0.0 -1 1 {} H 0.0 {0.620592 0.142084 0.281727} H398 5985 0.0 -1 1 {} H 0.0 {0.504536 0.16244 0.459532} H399 5986 0.0 -1 8 {} O 0.0 {0.482142 0.829372 0.957773} O3788 5987 0.0 -1 8 {} O 0.0 {0.592972 0.13483 0.16108} O3789 5988 0.0 -1 8 {} O 0.0 {0.464295 0.106321 0.249733} O3790 5989 0.0 -1 8 {} O 0.0 {0.568028 0.179478 0.542677} O3791 5990 0.0 -1 1 {} H 0.0 {0.472308 0.132844 0.688713} H400 5991 0.0 -1 1 {} H 0.0 {0.420395 0.926019 0.0705997} H401 5992 0.0 -1 1 {} H 0.0 {0.554572 0.111442 0.796209} H402 5993 0.0 -1 1 {} H 0.0 {0.672669 0.901322 0.107199} H403 5994 0.0 -1 1 {} H 0.0 {0.372907 0.102234 0.676608} H404 5995 0.0 -1 1 {} H 0.0 {0.608211 0.183991 0.0214977} H405 5996 0.0 -1 1 {} H 0.0 {0.646473 0.180946 0.448436} H406 5997 0.0 -1 1 {} H 0.0 {0.566661 0.100783 0.589759} H407 5998 0.0 -1 8 {} O 0.0 {0.548163 0.144428 0.173376} O3792 5999 0.0 -1 8 {} O 0.0 {0.455945 0.86562 0.635933} O3793 6000 0.0 -1 8 {} O 0.0 {0.505135 0.115017 0.170743} O3794 6001 0.0 -1 8 {} O 0.0 {0.66974 0.895661 0.120459} O3795 6002 0.0 -1 8 {} O 0.0 {0.516063 0.163387 0.64245} O3796 6003 0.0 -1 8 {} O 0.0 {0.577077 0.14569 0.334786} O3797 6004 0.0 -1 8 {} O 0.0 {0.614854 0.230216 0.432661} O3798 6005 0.0 -1 8 {} O 0.0 {0.496557 0.135329 0.634922} O3799 6006 0.0 -1 1 {} H 0.0 {0.431458 0.191326 0.713484} H408 6007 0.0 -1 1 {} H 0.0 {0.51384 0.16309 0.0454147} H409 6008 0.0 -1 1 {} H 0.0 {0.4436 0.146724 0.0157065} H410 6009 0.0 -1 1 {} H 0.0 {0.471766 0.896471 0.928481} H411 6010 0.0 -1 1 {} H 0.0 {0.640126 0.200089 0.997146} H412 6011 0.0 -1 1 {} H 0.0 {0.375848 0.162169 0.89143} H413 6012 0.0 -1 1 {} H 0.0 {0.425185 0.17487 0.411265} H414 6013 0.0 -1 1 {} H 0.0 {0.617804 0.833914 0.297447} H415 6014 0.0 -1 1 {} H 0.0 {0.62712 0.173389 0.222409} H416 6015 0.0 -1 1 {} H 0.0 {0.595415 0.157441 0.716903} H417 6016 0.0 -1 1 {} H 0.0 {0.546655 0.194224 0.644993} H418 6017 0.0 -1 1 {} H 0.0 {0.576132 0.143389 0.992267} H419 6018 0.0 -1 1 {} H 0.0 {0.584061 0.175276 0.295921} H420 6019 0.0 -1 1 {} H 0.0 {0.539176 0.116191 0.867177} H421 6020 0.0 -1 1 {} H 0.0 {0.636503 0.169031 0.452369} H422 6021 0.0 -1 1 {} H 0.0 {0.472534 0.156535 0.572215} H423 6022 0.0 -1 8 {} O 0.0 {0.556409 0.13183 0.275567} O3800 6023 0.0 -1 8 {} O 0.0 {0.541803 0.150936 0.465351} O3801 6024 0.0 -1 8 {} O 0.0 {0.442415 0.102554 0.952625} O3802 6025 0.0 -1 8 {} O 0.0 {0.477149 0.171955 0.051027} O3803 6026 0.0 -1 1 {} H 0.0 {0.473652 0.17164 0.820723} H424 6027 0.0 -1 1 {} H 0.0 {0.326509 0.121335 0.291711} H425 6028 0.0 -1 1 {} H 0.0 {0.458095 0.118193 0.571637} H426 6029 0.0 -1 1 {} H 0.0 {0.469501 0.118553 0.692551} H427 6030 0.0 -1 1 {} H 0.0 {0.6773 0.900402 0.409435} H428 6031 0.0 -1 1 {} H 0.0 {0.473895 0.10688 0.437388} H429 6032 0.0 -1 1 {} H 0.0 {0.459208 0.131755 0.54742} H430 6033 0.0 -1 1 {} H 0.0 {0.505725 0.160331 0.334557} H431 6034 0.0 -1 8 {} O 0.0 {0.542566 0.118911 0.139517} O3804 6035 0.0 -1 8 {} O 0.0 {0.424284 0.16001 0.270806} O3805 6036 0.0 -1 8 {} O 0.0 {0.520694 0.117095 0.759856} O3806 6037 0.0 -1 8 {} O 0.0 {0.397275 0.134321 0.254862} O3807 6038 0.0 -1 8 {} O 0.0 {0.629686 0.897437 0.930493} O3808 6039 0.0 -1 8 {} O 0.0 {0.586455 0.117041 0.266764} O3809 6040 0.0 -1 8 {} O 0.0 {0.451258 0.165014 0.537873} O3810 6041 0.0 -1 8 {} O 0.0 {0.566949 0.215865 0.0495285} O3811 6042 0.0 -1 1 {} H 0.0 {0.331035 0.122082 0.368408} H432 6043 0.0 -1 1 {} H 0.0 {0.324492 0.110879 0.567386} H433 6044 0.0 -1 1 {} H 0.0 {0.478019 0.128447 0.914096} H434 6045 0.0 -1 1 {} H 0.0 {0.481447 0.90518 0.435892} H435 6046 0.0 -1 1 {} H 0.0 {0.427356 0.121379 0.957467} H436 6047 0.0 -1 1 {} H 0.0 {0.61334 0.224689 0.466845} H437 6048 0.0 -1 1 {} H 0.0 {0.283995 0.956166 0.128114} H438 6049 0.0 -1 1 {} H 0.0 {0.54615 0.18706 0.193307} H439 6050 0.0 -1 1 {} H 0.0 {0.360401 0.0993359 0.90382} H440 6051 0.0 -1 1 {} H 0.0 {0.580132 0.205374 0.737737} H441 6052 0.0 -1 1 {} H 0.0 {0.452754 0.81905 0.821254} H442 6053 0.0 -1 1 {} H 0.0 {0.493355 0.170834 0.0277206} H443 6054 0.0 -1 1 {} H 0.0 {0.465864 0.111902 0.908174} H444 6055 0.0 -1 1 {} H 0.0 {0.546979 0.202542 0.733482} H445 6056 0.0 -1 1 {} H 0.0 {0.497498 0.118295 0.859051} H446 6057 0.0 -1 1 {} H 0.0 {0.634129 0.848366 0.0261988} H447 6058 0.0 -1 8 {} O 0.0 {0.524584 0.109537 0.21117} O3812 6059 0.0 -1 8 {} O 0.0 {0.273377 0.139183 0.198373} O3813 6060 0.0 -1 8 {} O 0.0 {0.454018 0.811372 0.84531} O3814 6061 0.0 -1 8 {} O 0.0 {0.465311 0.143448 0.481201} O3815 6062 0.0 -1 1 {} H 0.0 {0.444199 0.174541 0.654061} H448 6063 0.0 -1 1 {} H 0.0 {0.463688 0.908507 0.516539} H449 6064 0.0 -1 1 {} H 0.0 {0.473267 0.10379 0.36692} H450 6065 0.0 -1 1 {} H 0.0 {0.592444 0.832683 0.782245} H451 6066 0.0 -1 1 {} H 0.0 {0.465479 0.105425 0.586521} H452 6067 0.0 -1 1 {} H 0.0 {0.417088 0.119837 0.148547} H453 6068 0.0 -1 1 {} H 0.0 {0.277094 0.104729 0.685729} H454 6069 0.0 -1 1 {} H 0.0 {0.524307 0.156042 0.759075} H455 6070 0.0 -1 8 {} O 0.0 {0.419998 0.122 0.177719} O3816 6071 0.0 -1 8 {} O 0.0 {0.566763 0.125587 0.278259} O3817 6072 0.0 -1 8 {} O 0.0 {0.484749 0.135146 0.499061} O3818 6073 0.0 -1 8 {} O 0.0 {0.591876 0.838246 0.821646} O3819 6074 0.0 -1 8 {} O 0.0 {0.5404 0.17711 0.0521889} O3820 6075 0.0 -1 8 {} O 0.0 {0.582534 0.172338 0.456635} O3821 6076 0.0 -1 8 {} O 0.0 {0.337937 0.141401 0.24402} O3822 6077 0.0 -1 8 {} O 0.0 {0.309872 0.13648 0.443471} O3823 6078 0.0 -1 1 {} H 0.0 {0.407735 0.170003 0.830565} H456 6079 0.0 -1 1 {} H 0.0 {0.310561 0.127117 0.432865} H457 6080 0.0 -1 1 {} H 0.0 {0.490992 0.103099 0.708352} H458 6081 0.0 -1 1 {} H 0.0 {0.429911 0.144001 0.763029} H459 6082 0.0 -1 1 {} H 0.0 {0.359407 0.152093 0.539904} H460 6083 0.0 -1 1 {} H 0.0 {0.368274 0.113605 0.417344} H461 6084 0.0 -1 1 {} H 0.0 {0.263943 0.126942 0.878402} H462 6085 0.0 -1 1 {} H 0.0 {0.264786 0.103179 0.269652} H463 6086 0.0 -1 1 {} H 0.0 {0.636798 0.847017 0.0926923} H464 6087 0.0 -1 1 {} H 0.0 {0.452293 0.10575 0.00256284} H465 6088 0.0 -1 1 {} H 0.0 {0.577137 0.904488 0.722475} H466 6089 0.0 -1 1 {} H 0.0 {0.350886 0.11484 0.0426906} H467 6090 0.0 -1 1 {} H 0.0 {0.395387 0.149719 0.650841} H468 6091 0.0 -1 1 {} H 0.0 {0.368684 0.149254 0.885659} H469 6092 0.0 -1 1 {} H 0.0 {0.423181 0.13562 0.751379} H470 6093 0.0 -1 1 {} H 0.0 {0.556506 0.208008 0.409844} H471 6094 0.0 -1 8 {} O 0.0 {0.634421 0.842529 0.0644959} O3824 6095 0.0 -1 8 {} O 0.0 {0.441186 0.119069 0.241015} O3825 6096 0.0 -1 8 {} O 0.0 {0.494927 0.127713 0.497256} O3826 6097 0.0 -1 8 {} O 0.0 {0.362828 0.108942 0.551942} O3827 6098 0.0 -1 1 {} H 0.0 {0.422149 0.100866 0.982176} H472 6099 0.0 -1 1 {} H 0.0 {0.443206 0.131076 0.432964} H473 6100 0.0 -1 1 {} H 0.0 {0.420684 0.106444 0.239844} H474 6101 0.0 -1 1 {} H 0.0 {0.302765 0.137946 0.372234} H475 6102 0.0 -1 1 {} H 0.0 {0.376454 0.16825 0.349336} H476 6103 0.0 -1 1 {} H 0.0 {0.395635 0.108729 0.721293} H477 6104 0.0 -1 1 {} H 0.0 {0.238906 0.106018 0.890292} H478 6105 0.0 -1 1 {} H 0.0 {0.468963 0.181262 0.716658} H479 6106 0.0 -1 8 {} O 0.0 {0.38284 0.167102 0.554674} O3828 6107 0.0 -1 8 {} O 0.0 {0.374883 0.153935 0.916794} O3829 6108 0.0 -1 8 {} O 0.0 {0.458977 0.133423 0.862103} O3830 6109 0.0 -1 8 {} O 0.0 {0.324471 0.133075 0.817823} O3831 6110 0.0 -1 8 {} O 0.0 {0.363274 0.101655 0.932549} O3832 6111 0.0 -1 8 {} O 0.0 {0.333054 0.113279 0.411006} O3833 6112 0.0 -1 8 {} O 0.0 {0.290858 0.943569 0.566956} O3834 6113 0.0 -1 8 {} O 0.0 {0.262397 0.094031 0.980338} O3835 6114 0.0 -1 1 {} H 0.0 {0.351035 0.132455 0.850766} H480 6115 0.0 -1 1 {} H 0.0 {0.409836 0.150186 0.949747} H481 6116 0.0 -1 1 {} H 0.0 {0.571186 0.887427 0.391341} H482 6117 0.0 -1 1 {} H 0.0 {0.389254 0.148742 0.321956} H483 6118 0.0 -1 1 {} H 0.0 {0.369702 0.127026 0.0832772} H484 6119 0.0 -1 1 {} H 0.0 {0.409983 0.13072 0.71185} H485 6120 0.0 -1 1 {} H 0.0 {0.416535 0.12577 0.746699} H486 6121 0.0 -1 1 {} H 0.0 {0.310298 0.105189 0.345673} H487 6122 0.0 -1 1 {} H 0.0 {0.236675 0.106284 0.758282} H488 6123 0.0 -1 1 {} H 0.0 {0.196888 0.10282 0.547436} H489 6124 0.0 -1 1 {} H 0.0 {0.435146 0.108852 0.0990985} H490 6125 0.0 -1 1 {} H 0.0 {0.478683 0.172163 0.855263} H491 6126 0.0 -1 1 {} H 0.0 {0.542577 0.158081 0.620879} H492 6127 0.0 -1 1 {} H 0.0 {0.363917 0.154075 0.488502} H493 6128 0.0 -1 1 {} H 0.0 {0.406263 0.166382 0.625275} H494 6129 0.0 -1 1 {} H 0.0 {0.366594 0.112347 0.880922} H495 6130 0.0 -1 8 {} O 0.0 {0.28089 0.132794 0.998276} O3836 6131 0.0 -1 8 {} O 0.0 {0.397535 0.192706 0.903561} O3837 6132 0.0 -1 8 {} O 0.0 {0.30414 0.110448 0.953644} O3838 6133 0.0 -1 8 {} O 0.0 {0.401891 0.104539 0.625978} O3839 6134 0.0 -1 1 {} H 0.0 {0.237643 0.119494 0.590988} H496 6135 0.0 -1 1 {} H 0.0 {0.330643 0.144761 0.150696} H497 6136 0.0 -1 1 {} H 0.0 {0.271222 0.113432 0.500602} H498 6137 0.0 -1 1 {} H 0.0 {0.263686 0.122359 0.234032} H499 6138 0.0 -1 1 {} H 0.0 {0.265934 0.113617 0.600825} H500 6139 0.0 -1 1 {} H 0.0 {0.507481 0.154098 0.537243} H501 6140 0.0 -1 1 {} H 0.0 {0.359798 0.124595 0.351167} H502 6141 0.0 -1 1 {} H 0.0 {0.392535 0.129948 0.29484} H503 6142 0.0 -1 8 {} O 0.0 {0.211506 0.102131 0.352969} O3840 6143 0.0 -1 8 {} O 0.0 {0.376436 0.129314 0.51452} O3841 6144 0.0 -1 8 {} O 0.0 {0.24924 0.109009 0.359691} O3842 6145 0.0 -1 8 {} O 0.0 {0.42698 0.137154 0.786701} O3843 6146 0.0 -1 8 {} O 0.0 {0.471832 0.109432 0.401382} O3844 6147 0.0 -1 8 {} O 0.0 {0.387881 0.190463 0.532554} O3845 6148 0.0 -1 8 {} O 0.0 {0.265277 0.118439 0.755362} O3846 6149 0.0 -1 8 {} O 0.0 {0.313666 0.118454 0.637591} O3847 6150 0.0 -1 1 {} H 0.0 {0.302235 0.118402 0.138556} H504 6151 0.0 -1 1 {} H 0.0 {0.237588 0.115376 0.0255345} H505 6152 0.0 -1 1 {} H 0.0 {0.452958 0.928045 0.3705} H506 6153 0.0 -1 1 {} H 0.0 {0.0958279 0.937111 0.898412} H507 6154 0.0 -1 1 {} H 0.0 {0.443511 0.159444 0.328113} H508 6155 0.0 -1 1 {} H 0.0 {0.236539 0.123476 0.802887} H509 6156 0.0 -1 1 {} H 0.0 {0.392511 0.137623 0.560431} H510 6157 0.0 -1 1 {} H 0.0 {0.0861907 0.0893499 0.326963} H511 6158 0.0 -1 1 {} H 0.0 {0.265946 0.108288 0.748458} H512 6159 0.0 -1 1 {} H 0.0 {0.41718 0.150454 0.952405} H513 6160 0.0 -1 1 {} H 0.0 {0.402838 0.139678 0.0518539} H514 6161 0.0 -1 1 {} H 0.0 {0.295492 0.150183 0.36748} H515 6162 0.0 -1 1 {} H 0.0 {0.346005 0.103212 0.210589} H516 6163 0.0 -1 1 {} H 0.0 {0.449202 0.168007 0.618399} H517 6164 0.0 -1 1 {} H 0.0 {0.29124 0.129952 0.632177} H518 6165 0.0 -1 1 {} H 0.0 {0.439531 0.118592 0.922938} H519 6166 0.0 -1 8 {} O 0.0 {0.368146 0.119377 0.848702} O3848 6167 0.0 -1 8 {} O 0.0 {0.579423 0.14532 0.2014} O3849 6168 0.0 -1 8 {} O 0.0 {0.404788 0.134843 0.0839368} O3850 6169 0.0 -1 8 {} O 0.0 {0.267781 0.125028 0.873149} O3851 6170 0.0 -1 1 {} H 0.0 {0.374131 0.158925 0.680765} H520 6171 0.0 -1 1 {} H 0.0 {0.323663 0.0911084 0.361454} H521 6172 0.0 -1 1 {} H 0.0 {0.227867 0.124323 0.265471} H522 6173 0.0 -1 1 {} H 0.0 {0.285341 0.0839511 0.684621} H523 6174 0.0 -1 1 {} H 0.0 {0.274133 0.138015 0.246392} H524 6175 0.0 -1 1 {} H 0.0 {0.295534 0.133222 0.487131} H525 6176 0.0 -1 1 {} H 0.0 {0.368876 0.174428 0.525667} H526 6177 0.0 -1 1 {} H 0.0 {0.241658 0.122957 0.852276} H527 6178 0.0 -1 8 {} O 0.0 {0.453583 0.108035 0.0440809} O3852 6179 0.0 -1 8 {} O 0.0 {0.32323 0.0947696 0.405636} O3853 6180 0.0 -1 8 {} O 0.0 {0.352412 0.0985201 0.686316} O3854 6181 0.0 -1 8 {} O 0.0 {0.262291 0.0905118 0.715488} O3855 6182 0.0 -1 8 {} O 0.0 {0.282037 0.101893 0.282365} O3856 6183 0.0 -1 8 {} O 0.0 {0.301222 0.134082 0.520208} O3857 6184 0.0 -1 8 {} O 0.0 {0.400428 0.151717 0.613525} O3858 6185 0.0 -1 8 {} O 0.0 {0.234189 0.116606 0.0453163} O3859 6186 0.0 -1 1 {} H 0.0 {0.243501 0.087256 0.689418} H528 6187 0.0 -1 1 {} H 0.0 {0.101884 0.0962982 0.041243} H529 6188 0.0 -1 1 {} H 0.0 {0.261673 0.115861 0.651279} H530 6189 0.0 -1 1 {} H 0.0 {0.356014 0.0990953 0.702905} H531 6190 0.0 -1 8 {} O 0.0 {0.297953 0.124785 0.735333} O3860 6191 0.0 -1 8 {} O 0.0 {0.547119 0.201914 0.92493} O3861 6192 0.0 -1 1 {} H 0.0 {0.320172 0.120551 0.580547} H532 6193 0.0 -1 1 {} H 0.0 {0.14082 0.0852564 0.359772} H533 6194 0.0 -1 1 {} H 0.0 {0.209726 0.100481 0.965463} H534 6195 0.0 -1 8 {} O 0.0 {0.29145 0.13309 0.469672} O3862 6196 0.0 -1 8 {} O 0.0 {0.183723 0.0924843 0.355472} O3863 6197 0.0 -1 8 {} O 0.0 {0.336468 0.0987392 0.047808} O3864 6198 0.0 -1 1 {} H 0.0 {0.371624 0.936977 0.828164} H535 6199 0.0 -1 1 {} H 0.0 {0.393524 0.917403 0.465821} H536 6200 0.0 -1 1 {} H 0.0 {0.598146 0.188239 0.991413} H537 6201 0.0 -1 1 {} H 0.0 {0.536274 0.937712 0.896128} H538 6202 0.0 -1 8 {} O 0.0 {0.615648 0.185732 0.909721} O3865 6203 0.0 -1 1 {} H 0.0 {0.507616 0.813639 0.917118} H539 6204 0.0 -1 1 {} H 0.0 {0.64856 0.817778 0.130482} H540 6205 0.0 -1 1 {} H 0.0 {0.502994 0.118117 0.545845} H541 6206 0.0 -1 8 {} O 0.0 {0.508263 0.81771 0.874797} O3866 6207 0.0 -1 8 {} O 0.0 {0.676168 0.855747 0.368091} O3867 6208 0.0 -1 8 {} O 0.0 {0.640131 0.191141 0.159474} O3868 6209 0.0 -1 1 {} H 0.0 {0.508789 0.866208 0.369064} H542 6210 0.0 -1 1 {} H 0.0 {0.490319 0.953266 0.524151} H543 6211 0.0 -1 1 {} H 0.0 {0.567073 0.849303 0.43699} H544 6212 0.0 -1 1 {} H 0.0 {0.374846 0.908353 0.413154} H545 6213 0.0 -1 1 {} H 0.0 {0.437374 0.130621 0.461483} H546 6214 0.0 -1 1 {} H 0.0 {0.511389 0.822822 0.875162} H547 6215 0.0 -1 1 {} H 0.0 {0.413262 0.874065 0.780131} H548 6216 0.0 -1 1 {} H 0.0 {0.597096 0.900602 0.963475} H549 6217 0.0 -1 1 {} H 0.0 {0.574713 0.843075 0.624322} H550 6218 0.0 -1 1 {} H 0.0 {0.41642 0.904643 0.520955} H551 6219 0.0 -1 1 {} H 0.0 {0.294095 0.948861 0.189272} H552 6220 0.0 -1 1 {} H 0.0 {0.550575 0.850085 0.881825} H553 6221 0.0 -1 1 {} H 0.0 {0.593779 0.894287 0.518098} H554 6222 0.0 -1 1 {} H 0.0 {0.418858 0.851909 0.999586} H555 6223 0.0 -1 1 {} H 0.0 {0.406747 0.954739 0.108964} H556 6224 0.0 -1 1 {} H 0.0 {0.454313 0.898665 0.0228508} H557 6225 0.0 -1 8 {} O 0.0 {0.642792 0.853218 0.287957} O3869 6226 0.0 -1 8 {} O 0.0 {0.39482 0.942977 0.237668} O3870 6227 0.0 -1 8 {} O 0.0 {0.291026 0.953188 0.20661} O3871 6228 0.0 -1 8 {} O 0.0 {0.443329 0.854464 0.623254} O3872 6229 0.0 -1 1 {} H 0.0 {0.571245 0.180073 0.568775} H558 6230 0.0 -1 1 {} H 0.0 {0.486823 0.944322 0.388569} H559 6231 0.0 -1 1 {} H 0.0 {0.522968 0.862596 0.297391} H560 6232 0.0 -1 1 {} H 0.0 {0.659037 0.905983 0.847366} H561 6233 0.0 -1 1 {} H 0.0 {0.452503 0.838926 0.793344} H562 6234 0.0 -1 1 {} H 0.0 {0.344082 0.92472 0.931072} H563 6235 0.0 -1 1 {} H 0.0 {0.642828 0.843219 0.293401} H564 6236 0.0 -1 1 {} H 0.0 {0.655616 0.878519 0.517005} H565 6237 0.0 -1 8 {} O 0.0 {0.533056 0.939903 0.9204} O3873 6238 0.0 -1 8 {} O 0.0 {0.492359 0.950368 0.559332} O3874 6239 0.0 -1 8 {} O 0.0 {0.381093 0.186342 0.735237} O3875 6240 0.0 -1 8 {} O 0.0 {0.65873 0.912916 0.120456} O3876 6241 0.0 -1 8 {} O 0.0 {0.479648 0.84416 0.223378} O3877 6242 0.0 -1 8 {} O 0.0 {0.355337 0.909482 0.430525} O3878 6243 0.0 -1 8 {} O 0.0 {0.372977 0.93505 0.785663} O3879 6244 0.0 -1 8 {} O 0.0 {0.446671 0.131191 0.630502} O3880 6245 0.0 -1 1 {} H 0.0 {0.468978 0.13244 0.0871102} H566 6246 0.0 -1 1 {} H 0.0 {0.479927 0.134146 0.715657} H567 6247 0.0 -1 1 {} H 0.0 {0.470774 0.856785 0.385924} H568 6248 0.0 -1 1 {} H 0.0 {0.582089 0.928308 0.879779} H569 6249 0.0 -1 1 {} H 0.0 {0.703312 0.913406 0.525413} H570 6250 0.0 -1 1 {} H 0.0 {0.545779 0.18341 0.383083} H571 6251 0.0 -1 1 {} H 0.0 {0.581162 0.911773 0.445244} H572 6252 0.0 -1 1 {} H 0.0 {0.440756 0.892625 0.533243} H573 6253 0.0 -1 1 {} H 0.0 {0.424033 0.898137 0.434576} H574 6254 0.0 -1 1 {} H 0.0 {0.463017 0.101247 0.284593} H575 6255 0.0 -1 1 {} H 0.0 {0.554758 0.869978 0.42012} H576 6256 0.0 -1 1 {} H 0.0 {0.541119 0.880629 0.0634133} H577 6257 0.0 -1 1 {} H 0.0 {0.433339 0.889927 0.829887} H578 6258 0.0 -1 1 {} H 0.0 {0.55957 0.877196 0.457223} H579 6259 0.0 -1 1 {} H 0.0 {0.412405 0.220007 0.5924} H580 6260 0.0 -1 1 {} H 0.0 {0.340814 0.926299 0.363741} H581 6261 0.0 -1 8 {} O 0.0 {0.454992 0.908648 0.0290867} O3881 6262 0.0 -1 8 {} O 0.0 {0.490392 0.125945 0.145558} O3882 6263 0.0 -1 8 {} O 0.0 {0.55717 0.868517 0.461863} O3883 6264 0.0 -1 8 {} O 0.0 {0.549005 0.846127 0.460153} O3884 6265 0.0 -1 1 {} H 0.0 {0.566442 0.143565 0.127426} H582 6266 0.0 -1 1 {} H 0.0 {0.502515 0.15334 0.193866} H583 6267 0.0 -1 1 {} H 0.0 {0.587908 0.884425 0.399672} H584 6268 0.0 -1 1 {} H 0.0 {0.300135 0.926247 0.665502} H585 6269 0.0 -1 1 {} H 0.0 {0.280054 0.934919 0.13702} H586 6270 0.0 -1 1 {} H 0.0 {0.541829 0.17054 0.908742} H587 6271 0.0 -1 1 {} H 0.0 {0.543399 0.154957 0.540927} H588 6272 0.0 -1 1 {} H 0.0 {0.490055 0.851162 0.669701} H589 6273 0.0 -1 8 {} O 0.0 {0.253082 0.947744 0.25089} O3885 6274 0.0 -1 8 {} O 0.0 {0.389875 0.157259 0.304851} O3886 6275 0.0 -1 8 {} O 0.0 {0.585629 0.886119 0.363446} O3887 6276 0.0 -1 8 {} O 0.0 {0.356508 0.921676 0.640229} O3888 6277 0.0 -1 8 {} O 0.0 {0.270562 0.944256 0.193789} O3889 6278 0.0 -1 8 {} O 0.0 {0.485946 0.151122 0.246146} O3890 6279 0.0 -1 8 {} O 0.0 {0.433494 0.141682 0.277593} O3891 6280 0.0 -1 8 {} O 0.0 {0.615202 0.935375 0.438445} O3892 6281 0.0 -1 1 {} H 0.0 {0.555318 0.934994 0.821705} H590 6282 0.0 -1 1 {} H 0.0 {0.367428 0.129033 0.872634} H591 6283 0.0 -1 1 {} H 0.0 {0.626955 0.813028 0.493688} H592 6284 0.0 -1 1 {} H 0.0 {0.442854 0.922456 0.959696} H593 6285 0.0 -1 1 {} H 0.0 {0.700214 0.102397 0.781177} H594 6286 0.0 -1 1 {} H 0.0 {0.415176 0.158893 0.494953} H595 6287 0.0 -1 1 {} H 0.0 {0.505934 0.862035 0.853621} H596 6288 0.0 -1 1 {} H 0.0 {0.618714 0.823544 0.213637} H597 6289 0.0 -1 1 {} H 0.0 {0.304094 0.939993 0.215781} H598 6290 0.0 -1 1 {} H 0.0 {0.394669 0.119616 0.838644} H599 6291 0.0 -1 1 {} H 0.0 {0.238045 0.946929 0.0926371} H600 6292 0.0 -1 1 {} H 0.0 {0.449493 0.88172 0.0365227} H601 6293 0.0 -1 1 {} H 0.0 {0.466265 0.904052 0.0272667} H602 6294 0.0 -1 1 {} H 0.0 {0.56191 0.846923 0.283347} H603 6295 0.0 -1 1 {} H 0.0 {0.284732 0.0970852 0.259822} H604 6296 0.0 -1 1 {} H 0.0 {0.694069 0.882598 0.114086} H605 6297 0.0 -1 8 {} O 0.0 {0.341479 0.923101 0.319932} O3893 6298 0.0 -1 8 {} O 0.0 {0.241335 0.112944 0.909378} O3894 6299 0.0 -1 8 {} O 0.0 {0.552346 0.880576 0.366327} O3895 6300 0.0 -1 8 {} O 0.0 {0.45333 0.881805 0.0219525} O3896 6301 0.0 -1 1 {} H 0.0 {0.467046 0.948256 0.857802} H606 6302 0.0 -1 1 {} H 0.0 {0.371472 0.920549 0.290879} H607 6303 0.0 -1 1 {} H 0.0 {0.679723 0.929299 0.0901972} H608 6304 0.0 -1 1 {} H 0.0 {0.370918 0.94166 0.222782} H609 6305 0.0 -1 1 {} H 0.0 {0.551205 0.826704 0.478298} H610 6306 0.0 -1 1 {} H 0.0 {0.411089 0.943748 0.759489} H611 6307 0.0 -1 1 {} H 0.0 {0.629996 0.910157 0.335728} H612 6308 0.0 -1 1 {} H 0.0 {0.537405 0.181078 0.878491} H613 6309 0.0 -1 8 {} O 0.0 {0.604107 0.933656 0.545593} O3897 6310 0.0 -1 8 {} O 0.0 {0.4168 0.870058 0.808141} O3898 6311 0.0 -1 8 {} O 0.0 {0.298547 0.928001 0.494324} O3899 6312 0.0 -1 8 {} O 0.0 {0.717729 0.9046 0.73309} O3900 6313 0.0 -1 8 {} O 0.0 {0.504753 0.814613 0.734598} O3901 6314 0.0 -1 8 {} O 0.0 {0.413913 0.938165 0.770111} O3902 6315 0.0 -1 8 {} O 0.0 {0.582562 0.908455 0.487926} O3903 6316 0.0 -1 8 {} O 0.0 {0.416819 0.168825 0.816932} O3904 6317 0.0 -1 1 {} H 0.0 {0.5097 0.856135 0.667778} H614 6318 0.0 -1 1 {} H 0.0 {0.496076 0.125676 0.452668} H615 6319 0.0 -1 1 {} H 0.0 {0.299153 0.936269 0.469079} H616 6320 0.0 -1 1 {} H 0.0 {0.542581 0.903291 0.423289} H617 6321 0.0 -1 1 {} H 0.0 {0.221294 0.105744 0.306578} H618 6322 0.0 -1 1 {} H 0.0 {0.465178 0.865716 0.864953} H619 6323 0.0 -1 1 {} H 0.0 {0.477608 0.13135 0.381221} H620 6324 0.0 -1 1 {} H 0.0 {0.524495 0.848791 0.976689} H621 6325 0.0 -1 1 {} H 0.0 {0.475884 0.0993591 0.688577} H622 6326 0.0 -1 1 {} H 0.0 {0.350519 0.146777 0.607939} H623 6327 0.0 -1 1 {} H 0.0 {0.593419 0.930002 0.123705} H624 6328 0.0 -1 1 {} H 0.0 {0.351928 0.139022 0.145459} H625 6329 0.0 -1 1 {} H 0.0 {0.426701 0.121818 0.502165} H626 6330 0.0 -1 1 {} H 0.0 {0.515821 0.905926 0.5918} H627 6331 0.0 -1 1 {} H 0.0 {0.350381 0.923951 0.618745} H628 6332 0.0 -1 1 {} H 0.0 {0.482206 0.880898 0.994088} H629 6333 0.0 -1 8 {} O 0.0 {0.494108 0.106865 0.686687} O3905 6334 0.0 -1 8 {} O 0.0 {0.346182 0.926419 0.61139} O3906 6335 0.0 -1 8 {} O 0.0 {0.515741 0.897452 0.566454} O3907 6336 0.0 -1 8 {} O 0.0 {0.249881 0.950875 0.896958} O3908 6337 0.0 -1 1 {} H 0.0 {0.420234 0.872763 0.289387} H630 6338 0.0 -1 1 {} H 0.0 {0.62852 0.213452 0.393901} H631 6339 0.0 -1 1 {} H 0.0 {0.520876 0.83366 0.137193} H632 6340 0.0 -1 1 {} H 0.0 {0.502171 0.915575 0.877911} H633 6341 0.0 -1 1 {} H 0.0 {0.315557 0.944774 0.226751} H634 6342 0.0 -1 1 {} H 0.0 {0.38904 0.903766 0.675744} H635 6343 0.0 -1 1 {} H 0.0 {0.505145 0.858186 0.926002} H636 6344 0.0 -1 1 {} H 0.0 {0.322549 0.106653 0.998294} H637 6345 0.0 -1 8 {} O 0.0 {0.474695 0.933394 0.411468} O3909 6346 0.0 -1 8 {} O 0.0 {0.474874 0.172279 0.863465} O3910 6347 0.0 -1 8 {} O 0.0 {0.54764 0.835594 0.0894721} O3911 6348 0.0 -1 8 {} O 0.0 {0.614033 0.93855 0.134641} O3912 6349 0.0 -1 8 {} O 0.0 {0.435552 0.89927 0.382457} O3913 6350 0.0 -1 8 {} O 0.0 {0.390624 0.907572 0.715308} O3914 6351 0.0 -1 8 {} O 0.0 {0.559299 0.872699 0.921031} O3915 6352 0.0 -1 8 {} O 0.0 {0.506701 0.157655 0.377372} O3916 6353 0.0 -1 1 {} H 0.0 {0.509924 0.887114 0.561458} H638 6354 0.0 -1 1 {} H 0.0 {0.475079 0.853362 0.745982} H639 6355 0.0 -1 1 {} H 0.0 {0.561005 0.911264 0.772054} H640 6356 0.0 -1 1 {} H 0.0 {0.269739 0.946031 0.500252} H641 6357 0.0 -1 1 {} H 0.0 {0.278528 0.109568 0.120995} H642 6358 0.0 -1 1 {} H 0.0 {0.634195 0.765506 0.694853} H643 6359 0.0 -1 1 {} H 0.0 {0.507778 0.834484 0.659074} H644 6360 0.0 -1 1 {} H 0.0 {0.500192 0.875306 0.23047} H645 6361 0.0 -1 1 {} H 0.0 {0.466839 0.853929 0.963909} H646 6362 0.0 -1 1 {} H 0.0 {0.482258 0.864716 0.841804} H647 6363 0.0 -1 1 {} H 0.0 {0.724989 0.915782 0.468887} H648 6364 0.0 -1 1 {} H 0.0 {0.370293 0.933829 0.600812} H649 6365 0.0 -1 1 {} H 0.0 {0.344949 0.930093 0.654175} H650 6366 0.0 -1 1 {} H 0.0 {0.518612 0.913199 0.242427} H651 6367 0.0 -1 1 {} H 0.0 {0.383543 0.161335 0.517381} H652 6368 0.0 -1 1 {} H 0.0 {0.573508 0.875825 0.995923} H653 6369 0.0 -1 8 {} O 0.0 {0.481501 0.871672 0.989043} O3917 6370 0.0 -1 8 {} O 0.0 {0.469638 0.133452 0.0415043} O3918 6371 0.0 -1 8 {} O 0.0 {0.723362 0.908339 0.443073} O3919 6372 0.0 -1 8 {} O 0.0 {0.433656 0.948346 0.56725} O3920 6373 0.0 -1 1 {} H 0.0 {0.655985 0.836384 0.205347} H654 6374 0.0 -1 1 {} H 0.0 {0.630684 0.873618 0.253568} H655 6375 0.0 -1 1 {} H 0.0 {0.396145 0.907814 0.193579} H656 6376 0.0 -1 1 {} H 0.0 {0.481999 0.859278 0.054103} H657 6377 0.0 -1 1 {} H 0.0 {0.610891 0.94446 0.129304} H658 6378 0.0 -1 1 {} H 0.0 {0.642834 0.774283 0.0589944} H659 6379 0.0 -1 1 {} H 0.0 {0.603551 0.916591 0.100608} H660 6380 0.0 -1 1 {} H 0.0 {0.421575 0.151163 0.315036} H661 6381 0.0 -1 8 {} O 0.0 {0.657213 0.843199 0.234517} O3921 6382 0.0 -1 8 {} O 0.0 {0.62888 0.870241 0.292907} O3922 6383 0.0 -1 8 {} O 0.0 {0.397116 0.905638 0.237963} O3923 6384 0.0 -1 8 {} O 0.0 {0.484067 0.852773 0.0796823} O3924 6385 0.0 -1 8 {} O 0.0 {0.37107 0.941949 0.931823} O3925 6386 0.0 -1 8 {} O 0.0 {0.604878 0.907665 0.956218} O3926 6387 0.0 -1 8 {} O 0.0 {0.6109 0.877923 0.538493} O3927 6388 0.0 -1 8 {} O 0.0 {0.365443 0.144041 0.87078} O3928 6389 0.0 -1 1 {} H 0.0 {0.408687 0.915088 0.575317} H662 6390 0.0 -1 1 {} H 0.0 {0.380988 0.109435 0.631061} H663 6391 0.0 -1 1 {} H 0.0 {0.498403 0.911228 0.272865} H664 6392 0.0 -1 1 {} H 0.0 {0.0987702 0.0907688 0.335409} H665 6393 0.0 -1 1 {} H 0.0 {0.274572 0.111581 0.4415} H666 6394 0.0 -1 1 {} H 0.0 {0.636382 0.82011 0.22618} H667 6395 0.0 -1 1 {} H 0.0 {0.118399 0.941318 0.772408} H668 6396 0.0 -1 1 {} H 0.0 {0.279712 0.123863 0.0952796} H669 6397 0.0 -1 1 {} H 0.0 {0.577227 0.8633 0.981304} H670 6398 0.0 -1 1 {} H 0.0 {0.180702 0.0891031 0.327082} H671 6399 0.0 -1 1 {} H 0.0 {0.52183 0.951428 0.218463} H672 6400 0.0 -1 1 {} H 0.0 {0.452505 0.911823 0.704423} H673 6401 0.0 -1 1 {} H 0.0 {0.457393 0.905049 0.718397} H674 6402 0.0 -1 1 {} H 0.0 {0.284411 0.939698 0.387568} H675 6403 0.0 -1 1 {} H 0.0 {0.10654 0.931165 0.0481427} H676 6404 0.0 -1 1 {} H 0.0 {0.0833351 0.100222 0.373245} H677 6405 0.0 -1 8 {} O 0.0 {0.576341 0.872144 0.966956} O3929 6406 0.0 -1 8 {} O 0.0 {0.128273 0.0929984 0.693051} O3930 6407 0.0 -1 8 {} O 0.0 {0.464325 0.896337 0.80231} O3931 6408 0.0 -1 8 {} O 0.0 {0.454151 0.903096 0.696378} O3932 6409 0.0 -1 1 {} H 0.0 {0.412756 0.858482 0.94413} H678 6410 0.0 -1 1 {} H 0.0 {0.57191 0.239712 0.74377} H679 6411 0.0 -1 1 {} H 0.0 {0.232702 0.108205 0.809871} H680 6412 0.0 -1 1 {} H 0.0 {0.186486 0.0921814 0.324176} H681 6413 0.0 -1 1 {} H 0.0 {0.726281 0.917236 0.0783113} H682 6414 0.0 -1 1 {} H 0.0 {0.632574 0.811421 0.0373941} H683 6415 0.0 -1 1 {} H 0.0 {0.55303 0.88736 0.786904} H684 6416 0.0 -1 1 {} H 0.0 {0.105366 0.0847687 0.004556} H685 6417 0.0 -1 8 {} O 0.0 {0.410554 0.860663 0.901874} O3933 6418 0.0 -1 8 {} O 0.0 {0.39219 0.11103 0.422936} O3934 6419 0.0 -1 8 {} O 0.0 {0.234498 0.11833 0.564652} O3935 6420 0.0 -1 8 {} O 0.0 {0.1175 0.0939746 0.7078} O3936 6421 0.0 -1 8 {} O 0.0 {0.729434 0.922273 0.0598345} O3937 6422 0.0 -1 8 {} O 0.0 {0.632477 0.820163 0.221882} O3938 6423 0.0 -1 8 {} O 0.0 {0.506399 0.828281 0.628554} O3939 6424 0.0 -1 8 {} O 0.0 {0.0830022 0.0904094 0.356548} O3940 6425 0.0 -1 1 {} H 0.0 {0.128662 0.092165 0.643105} H686 6426 0.0 -1 1 {} H 0.0 {0.499158 0.861966 0.265554} H687 6427 0.0 -1 1 {} H 0.0 {0.137941 0.0939098 0.710192} H688 6428 0.0 -1 1 {} H 0.0 {0.855406 0.953075 0.841476} H689 6429 0.0 -1 8 {} O 0.0 {0.141783 0.0957066 0.711463} O3941 6430 0.0 -1 8 {} O 0.0 {0.856942 0.947878 0.874436} O3942 6431 0.0 -1 1 {} H 0.0 {0.418357 0.861955 0.782768} H690 6432 0.0 -1 1 {} H 0.0 {0.609165 0.863278 0.771961} H691 6433 0.0 -1 1 {} H 0.0 {0.141978 0.103874 0.740448} H692 6434 0.0 -1 8 {} O 0.0 {0.422678 0.853019 0.743865} O3943 6435 0.0 -1 8 {} O 0.0 {0.524511 0.916682 0.292398} O3944 6436 0.0 -1 8 {} O 0.0 {0.113885 0.945659 0.898558} O3945 6437 0.0 -1 1 {} H 0.0 {0.463557 0.935888 0.863349} H693 6438 0.0 -1 1 {} H 0.0 {0.360024 0.93212 0.11802} H694 6439 0.0 -1 1 {} H 0.0 {0.583226 0.941025 0.216455} H695 6440 0.0 -1 8 {} O 0.0 {0.368572 0.928006 0.0459748} O3946 6441 0.0 -1 1 {} H 0.0 {0.331046 0.901843 0.280262} H696 6442 0.0 -1 1 {} H 0.0 {0.496616 0.945847 0.908313} H697 6443 0.0 -1 8 {} O 0.0 {0.412467 0.873511 0.255655} O3947 6444 0.0 -1 8 {} O 0.0 {0.586185 0.93623 0.196666} O3948 6445 0.0 -1 1 {} H 0.0 {0.471756 0.95792 0.510914} H698 6446 0.0 -1 1 {} H 0.0 {0.600241 0.906161 0.479732} H699 6447 0.0 -1 1 {} H 0.0 {0.475838 0.844542 0.216499} H700 6448 0.0 -1 1 {} H 0.0 {0.213443 0.947167 0.391139} H701 6449 0.0 -1 1 {} H 0.0 {0.675792 0.906383 0.677992} H702 6450 0.0 -1 1 {} H 0.0 {0.366337 0.919665 0.0436629} H703 6451 0.0 -1 1 {} H 0.0 {0.504392 0.909683 0.665701} H704 6452 0.0 -1 1 {} H 0.0 {0.496351 0.899481 0.0105215} H705 6453 0.0 -1 1 {} H 0.0 {0.496728 0.898632 0.936289} H706 6454 0.0 -1 1 {} H 0.0 {0.470974 0.86112 0.536314} H707 6455 0.0 -1 1 {} H 0.0 {0.592403 0.902191 0.912466} H708 6456 0.0 -1 8 {} O 0.0 {0.413547 0.9345 0.435831} O3949 6457 0.0 -1 8 {} O 0.0 {0.502368 0.901655 0.670873} O3950 6458 0.0 -1 8 {} O 0.0 {0.495929 0.893242 0.973682} O3951 6459 0.0 -1 1 {} H 0.0 {0.330475 0.932422 0.131536} H709 6460 0.0 -1 1 {} H 0.0 {0.592482 0.827186 0.363411} H710 6461 0.0 -1 1 {} H 0.0 {0.498987 0.903799 0.846415} H711 6462 0.0 -1 1 {} H 0.0 {0.260021 0.945428 0.429964} H712 6463 0.0 -1 1 {} H 0.0 {0.069764 0.940946 0.145862} H713 6464 0.0 -1 1 {} H 0.0 {0.274971 0.948485 0.778478} H714 6465 0.0 -1 8 {} O 0.0 {0.509295 0.893647 0.977179} O3952 6466 0.0 -1 8 {} O 0.0 {0.636818 0.898396 0.562457} O3953 6467 0.0 -1 8 {} O 0.0 {0.677483 0.914446 0.664243} O3954 6468 0.0 -1 8 {} O 0.0 {0.340974 0.939403 0.854437} O3955 6469 0.0 -1 8 {} O 0.0 {0.593186 0.898929 0.957573} O3956 6470 0.0 -1 1 {} H 0.0 {0.525886 0.869591 0.063509} H715 6471 0.0 -1 1 {} H 0.0 {0.611889 0.83565 0.318077} H716 6472 0.0 -1 1 {} H 0.0 {0.267394 0.937628 0.204048} H717 6473 0.0 -1 1 {} H 0.0 {0.740392 0.935392 0.593798} H718 6474 0.0 -1 1 {} H 0.0 {0.457216 0.943005 0.618512} H719 6475 0.0 -1 1 {} H 0.0 {0.536591 0.899716 0.858791} H720 6476 0.0 -1 1 {} H 0.0 {0.494861 0.922923 0.509498} H721 6477 0.0 -1 1 {} H 0.0 {0.445628 0.862746 0.626292} H722 6478 0.0 -1 1 {} H 0.0 {0.563711 0.831864 0.749353} H723 6479 0.0 -1 1 {} H 0.0 {0.465136 0.924007 0.381437} H724 6480 0.0 -1 1 {} H 0.0 {0.570053 0.819717 0.0245498} H725 6481 0.0 -1 8 {} O 0.0 {0.538341 0.892887 0.833529} O3957 6482 0.0 -1 8 {} O 0.0 {0.415113 0.851702 0.0118306} O3958 6483 0.0 -1 8 {} O 0.0 {0.566431 0.836342 0.775472} O3959 6484 0.0 -1 1 {} H 0.0 {0.355278 0.947124 0.192435} H726 6485 0.0 -1 1 {} H 0.0 {0.345884 0.953327 0.455405} H727 6486 0.0 -1 1 {} H 0.0 {0.281065 0.934649 0.033668} H728 6487 0.0 -1 1 {} H 0.0 {0.748404 0.944191 0.782838} H729 6488 0.0 -1 1 {} H 0.0 {0.3589 0.939906 0.74509} H730 6489 0.0 -1 1 {} H 0.0 {0.434266 0.906053 0.973278} H731 6490 0.0 -1 8 {} O 0.0 {0.332174 0.944243 0.246952} O3960 6491 0.0 -1 8 {} O 0.0 {0.614124 0.831536 0.282568} O3961 6492 0.0 -1 8 {} O 0.0 {0.454179 0.946888 0.593908} O3962 6493 0.0 -1 8 {} O 0.0 {0.485053 0.864838 0.874509} O3963 6494 0.0 -1 8 {} O 0.0 {0.404768 0.889263 0.321402} O3964 6495 0.0 -1 1 {} H 0.0 {0.643071 0.865099 0.153834} H732 6496 0.0 -1 1 {} H 0.0 {0.487435 0.906626 0.709262} H733 6497 0.0 -1 1 {} H 0.0 {0.547137 0.83025 0.614727} H734 6498 0.0 -1 1 {} H 0.0 {0.508514 0.944195 0.567223} H735 6499 0.0 -1 1 {} H 0.0 {0.417991 0.891029 0.967064} H736 6500 0.0 -1 1 {} H 0.0 {0.455283 0.843255 0.445711} H737 6501 0.0 -1 1 {} H 0.0 {0.373353 0.918836 0.112057} H738 6502 0.0 -1 1 {} H 0.0 {0.432963 0.922156 0.747531} H739 6503 0.0 -1 1 {} H 0.0 {0.456948 0.840328 0.996961} H740 6504 0.0 -1 1 {} H 0.0 {0.439007 0.910242 0.599768} H741 6505 0.0 -1 1 {} H 0.0 {0.496614 0.84119 0.468636} H742 6506 0.0 -1 8 {} O 0.0 {0.49764 0.8682 0.236627} O3965 6507 0.0 -1 8 {} O 0.0 {0.441868 0.884219 0.0458547} O3966 6508 0.0 -1 8 {} O 0.0 {0.375329 0.900066 0.391614} O3967 6509 0.0 -1 1 {} H 0.0 {0.328054 0.929469 0.317053} H743 6510 0.0 -1 1 {} H 0.0 {0.449308 0.936814 0.758881} H744 6511 0.0 -1 1 {} H 0.0 {0.57476 0.870834 0.871066} H745 6512 0.0 -1 1 {} H 0.0 {0.506954 0.941479 0.385889} H746 6513 0.0 -1 1 {} H 0.0 {0.642844 0.852115 0.191072} H747 6514 0.0 -1 1 {} H 0.0 {0.624818 0.820152 0.210924} H748 6515 0.0 -1 8 {} O 0.0 {0.495518 0.841259 0.424277} O3968 6516 0.0 -1 8 {} O 0.0 {0.484453 0.90267 0.737035} O3969 6517 0.0 -1 8 {} O 0.0 {0.300573 0.937854 0.205651} O3970 6518 0.0 -1 8 {} O 0.0 {0.642015 0.855986 0.145429} O3971 6519 0.0 -1 8 {} O 0.0 {0.6218 0.82146 0.183682} O3972 6520 0.0 -1 1 {} H 0.0 {0.558518 0.843697 0.892718} H749 6521 0.0 -1 1 {} H 0.0 {0.580964 0.852261 0.732073} H750 6522 0.0 -1 1 {} H 0.0 {0.397722 0.914025 0.943307} H751 6523 0.0 -1 1 {} H 0.0 {0.546793 0.0501609 0.839195} H752 6524 0.0 -1 1 {} H 0.0 {0.107989 0.941753 0.767017} H753 6525 0.0 -1 1 {} H 0.0 {0.421689 0.938358 0.570111} H754 6526 0.0 -1 1 {} H 0.0 {0.427569 0.884599 0.849207} H755 6527 0.0 -1 1 {} H 0.0 {0.435104 0.866464 0.111211} H756 6528 0.0 -1 1 {} H 0.0 {0.498057 0.895162 0.470311} H757 6529 0.0 -1 1 {} H 0.0 {0.571978 0.830258 0.594595} H758 6530 0.0 -1 1 {} H 0.0 {0.540622 0.81199 0.371725} H759 6531 0.0 -1 8 {} O 0.0 {0.423932 0.932801 0.543649} O3973 6532 0.0 -1 8 {} O 0.0 {0.587174 0.890116 0.68508} O3974 6533 0.0 -1 8 {} O 0.0 {0.499739 0.887339 0.448291} O3975 6534 0.0 -1 1 {} H 0.0 {0.471606 0.935637 0.137029} H760 6535 0.0 -1 1 {} H 0.0 {0.595683 0.936568 0.0678549} H761 6536 0.0 -1 1 {} H 0.0 {0.527997 0.912366 0.302699} H762 6537 0.0 -1 1 {} H 0.0 {0.544744 0.051128 0.867841} H763 6538 0.0 -1 1 {} H 0.0 {0.438561 0.904022 0.404531} H764 6539 0.0 -1 1 {} H 0.0 {0.433936 0.939806 0.403851} H765 6540 0.0 -1 8 {} O 0.0 {0.331165 0.926042 0.666155} O3976 6541 0.0 -1 8 {} O 0.0 {0.593893 0.928586 0.0776785} O3977 6542 0.0 -1 8 {} O 0.0 {0.723802 0.919651 0.318772} O3978 6543 0.0 -1 8 {} O 0.0 {0.574604 0.869435 0.825253} O3979 6544 0.0 -1 8 {} O 0.0 {0.368772 0.920517 0.654199} O3980 6545 0.0 -1 1 {} H 0.0 {0.67428 0.88351 0.824912} H766 6546 0.0 -1 1 {} H 0.0 {0.68615 0.914102 0.189088} H767 6547 0.0 -1 1 {} H 0.0 {0.365271 0.953579 0.137279} H768 6548 0.0 -1 1 {} H 0.0 {0.474406 0.0404479 0.0232612} H769 6549 0.0 -1 1 {} H 0.0 {0.394859 0.939617 0.415685} H770 6550 0.0 -1 1 {} H 0.0 {0.67525 0.151124 0.524833} H771 6551 0.0 -1 1 {} H 0.0 {0.384647 0.930011 0.593298} H772 6552 0.0 -1 1 {} H 0.0 {0.464 0.885686 0.727542} H773 6553 0.0 -1 1 {} H 0.0 {0.530511 0.893776 0.382191} H774 6554 0.0 -1 1 {} H 0.0 {0.378962 0.932179 0.569143} H775 6555 0.0 -1 1 {} H 0.0 {0.41321 0.936693 0.481026} H776 6556 0.0 -1 8 {} O 0.0 {0.453228 0.832257 0.760435} O3981 6557 0.0 -1 8 {} O 0.0 {0.382271 0.927564 0.560254} O3982 6558 0.0 -1 8 {} O 0.0 {0.527904 0.889367 0.412522} O3983 6559 0.0 -1 1 {} H 0.0 {0.803405 0.909842 0.711817} H777 6560 0.0 -1 1 {} H 0.0 {0.565066 0.812146 0.609133} H778 6561 0.0 -1 1 {} H 0.0 {0.429316 0.86215 0.636131} H779 6562 0.0 -1 1 {} H 0.0 {0.472801 0.0409576 0.0542867} H780 6563 0.0 -1 1 {} H 0.0 {0.613899 0.828024 0.0252061} H781 6564 0.0 -1 1 {} H 0.0 {0.442409 0.883832 0.797638} H782 6565 0.0 -1 8 {} O 0.0 {0.675898 0.87436 0.668408} O3984 6566 0.0 -1 8 {} O 0.0 {0.687681 0.909947 0.149925} O3985 6567 0.0 -1 8 {} O 0.0 {0.46637 0.939563 0.836596} O3986 6568 0.0 -1 8 {} O 0.0 {0.672984 0.874398 0.836684} O3987 6569 0.0 -1 8 {} O 0.0 {0.464658 0.849747 0.998304} O3988 6570 0.0 -1 1 {} H 0.0 {0.591227 0.842068 0.372736} H783 6571 0.0 -1 1 {} H 0.0 {0.568009 0.891491 0.588059} H784 6572 0.0 -1 1 {} H 0.0 {0.728429 0.931565 0.0564712} H785 6573 0.0 -1 1 {} H 0.0 {0.315468 0.942759 0.430417} H786 6574 0.0 -1 1 {} H 0.0 {0.454221 0.828167 0.976093} H787 6575 0.0 -1 1 {} H 0.0 {0.580119 0.831147 0.863193} H788 6576 0.0 -1 1 {} H 0.0 {0.467777 0.855064 0.144437} H789 6577 0.0 -1 1 {} H 0.0 {0.604392 0.88437 0.194936} H790 6578 0.0 -1 1 {} H 0.0 {0.54699 0.834841 0.134829} H791 6579 0.0 -1 1 {} H 0.0 {0.651862 0.911583 0.0310951} H792 6580 0.0 -1 1 {} H 0.0 {0.258319 0.934325 0.855808} H793 6581 0.0 -1 8 {} O 0.0 {0.300756 0.935487 0.853679} O3989 6582 0.0 -1 8 {} O 0.0 {0.543882 0.840313 0.239799} O3990 6583 0.0 -1 8 {} O 0.0 {0.392059 0.936906 0.443829} O3991 6584 0.0 -1 1 {} H 0.0 {0.579905 0.886301 0.159269} H794 6585 0.0 -1 1 {} H 0.0 {0.542274 0.905948 0.658667} H795 6586 0.0 -1 1 {} H 0.0 {0.611667 0.923249 0.292023} H796 6587 0.0 -1 1 {} H 0.0 {0.392806 0.939576 0.486962} H797 6588 0.0 -1 1 {} H 0.0 {0.637419 0.784353 0.916026} H798 6589 0.0 -1 1 {} H 0.0 {0.683982 0.886176 0.429845} H799 6590 0.0 -1 8 {} O 0.0 {0.312115 0.941092 0.454049} O3992 6591 0.0 -1 8 {} O 0.0 {0.542548 0.915061 0.670514} O3993 6592 0.0 -1 8 {} O 0.0 {0.607449 0.880393 0.222549} O3994 6593 0.0 -1 8 {} O 0.0 {0.59599 0.911036 0.302725} O3995 6594 0.0 -1 8 {} O 0.0 {0.25719 0.926028 0.876579} O3996 6595 0.0 -1 1 {} H 0.0 {0.320182 0.940175 0.652888} H800 6596 0.0 -1 1 {} H 0.0 {0.502834 0.937716 0.495625} H801 6597 0.0 -1 8 {} O 0.0 {0.610056 0.914581 0.292759} O3997 6598 0.0 -1 1 {} H 0.0 {0.87528 0.94463 0.735011} H802 6599 0.0 -1 1 {} H 0.0 {0.612803 0.905019 0.246608} H803 6600 0.0 -1 8 {} O 0.0 {0.503118 0.935969 0.541305} O3998 6601 0.0 -1 8 {} O 0.0 {0.439182 0.920198 0.608617} O3999 6602 0.0 -1 1 {} H 0.0 {0.529502 0.159238 0.726453} H804 6603 0.0 -1 1 {} H 0.0 {0.514682 0.155165 0.514842} H805 6604 0.0 -1 1 {} H 0.0 {0.510039 0.110892 0.647183} H806 6605 0.0 -1 1 {} H 0.0 {0.538672 0.155592 0.706017} H807 6606 0.0 -1 1 {} H 0.0 {0.562477 0.0982673 0.910862} H808 6607 0.0 -1 8 {} O 0.0 {0.456229 0.126587 0.557996} O4000 6608 0.0 -1 8 {} O 0.0 {0.443412 0.13965 0.0495666} O4001 6609 0.0 -1 1 {} H 0.0 {0.576107 0.148789 0.905457} H809 6610 0.0 -1 1 {} H 0.0 {0.58835 0.166834 0.144245} H810 6611 0.0 -1 1 {} H 0.0 {0.452463 0.128528 0.478568} H811 6612 0.0 -1 1 {} H 0.0 {0.460493 0.0347081 0.621476} H812 6613 0.0 -1 1 {} H 0.0 {0.559403 0.176527 0.137724} H813 6614 0.0 -1 1 {} H 0.0 {0.385991 0.180138 0.543161} H814 6615 0.0 -1 1 {} H 0.0 {0.583482 0.220935 0.773501} H815 6616 0.0 -1 1 {} H 0.0 {0.440741 0.160659 0.254534} H816 6617 0.0 -1 1 {} H 0.0 {0.310866 0.10185 0.776536} H817 6618 0.0 -1 1 {} H 0.0 {0.51739 0.128227 0.309587} H818 6619 0.0 -1 1 {} H 0.0 {0.613997 0.177765 0.895734} H819 6620 0.0 -1 8 {} O 0.0 {0.556489 0.180619 0.111198} O4002 6621 0.0 -1 8 {} O 0.0 {0.531062 0.159778 0.0150975} O4003 6622 0.0 -1 8 {} O 0.0 {0.483625 0.0970777 0.733969} O4004 6623 0.0 -1 1 {} H 0.0 {0.482763 0.105684 0.76179} H820 6624 0.0 -1 1 {} H 0.0 {0.548832 0.133029 0.000895481} H821 6625 0.0 -1 1 {} H 0.0 {0.50636 0.099517 0.896083} H822 6626 0.0 -1 1 {} H 0.0 {0.436309 0.131814 0.911664} H823 6627 0.0 -1 1 {} H 0.0 {0.595957 0.189874 0.46563} H824 6628 0.0 -1 1 {} H 0.0 {0.470846 0.150699 0.00491958} H825 6629 0.0 -1 8 {} O 0.0 {0.511889 0.106052 0.680831} O4005 6630 0.0 -1 8 {} O 0.0 {0.505584 0.186195 0.573777} O4006 6631 0.0 -1 8 {} O 0.0 {0.513811 0.101259 0.358234} O4007 6632 0.0 -1 8 {} O 0.0 {0.33925 0.120589 0.559339} O4008 6633 0.0 -1 8 {} O 0.0 {0.599782 0.164264 0.30174} O4009 6634 0.0 -1 1 {} H 0.0 {0.444928 0.1182 0.247396} H826 6635 0.0 -1 1 {} H 0.0 {0.630703 0.194588 0.781983} H827 6636 0.0 -1 1 {} H 0.0 {0.452241 0.134701 0.217609} H828 6637 0.0 -1 1 {} H 0.0 {0.444632 0.00845586 0.857329} H829 6638 0.0 -1 1 {} H 0.0 {0.423979 0.173744 0.538161} H830 6639 0.0 -1 1 {} H 0.0 {0.400442 0.131608 0.279655} H831 6640 0.0 -1 1 {} H 0.0 {0.475267 0.147851 0.520562} H832 6641 0.0 -1 1 {} H 0.0 {0.491621 0.116959 0.155293} H833 6642 0.0 -1 1 {} H 0.0 {0.263193 0.0843197 0.990653} H834 6643 0.0 -1 1 {} H 0.0 {0.501172 0.128028 0.95353} H835 6644 0.0 -1 1 {} H 0.0 {0.429491 0.172606 0.8633} H836 6645 0.0 -1 8 {} O 0.0 {0.44247 0.156752 0.936878} O4010 6646 0.0 -1 8 {} O 0.0 {0.453439 0.191391 0.535387} O4011 6647 0.0 -1 8 {} O 0.0 {0.404697 0.195707 0.561461} O4012 6648 0.0 -1 1 {} H 0.0 {0.450413 0.147285 0.337681} H837 6649 0.0 -1 1 {} H 0.0 {0.396673 0.181702 0.741814} H838 6650 0.0 -1 1 {} H 0.0 {0.443818 0.170258 0.184293} H839 6651 0.0 -1 1 {} H 0.0 {0.458556 0.101963 0.741499} H840 6652 0.0 -1 1 {} H 0.0 {0.457402 0.191241 0.522041} H841 6653 0.0 -1 1 {} H 0.0 {0.462697 0.0369569 0.596587} H842 6654 0.0 -1 8 {} O 0.0 {0.374014 0.197005 0.623372} O4013 6655 0.0 -1 8 {} O 0.0 {0.59305 0.176041 0.396895} O4014 6656 0.0 -1 8 {} O 0.0 {0.421515 0.146026 0.131574} O4015 6657 0.0 -1 8 {} O 0.0 {0.462553 0.0993082 0.748894} O4016 6658 0.0 -1 8 {} O 0.0 {0.452651 0.132737 0.263397} O4017 6659 0.0 -1 1 {} H 0.0 {0.495568 0.128168 0.661748} H843 6660 0.0 -1 1 {} H 0.0 {0.337339 0.160979 0.352796} H844 6661 0.0 -1 1 {} H 0.0 {0.585793 0.202293 0.969114} H845 6662 0.0 -1 1 {} H 0.0 {0.365018 0.000131959 0.523593} H846 6663 0.0 -1 1 {} H 0.0 {0.592691 0.199422 0.0601034} H847 6664 0.0 -1 1 {} H 0.0 {0.440132 0.103467 0.791449} H848 6665 0.0 -1 1 {} H 0.0 {0.316219 0.10335 0.752964} H849 6666 0.0 -1 1 {} H 0.0 {0.234753 0.936035 0.597379} H850 6667 0.0 -1 1 {} H 0.0 {0.455956 0.101641 0.368716} H851 6668 0.0 -1 1 {} H 0.0 {0.439483 0.0972735 0.936917} H852 6669 0.0 -1 1 {} H 0.0 {0.404492 0.0988311 0.697085} H853 6670 0.0 -1 8 {} O 0.0 {0.442523 0.0980189 0.762554} O4018 6671 0.0 -1 8 {} O 0.0 {0.491891 0.160667 0.903921} O4019 6672 0.0 -1 8 {} O 0.0 {0.42368 0.096303 0.747234} O4020 6673 0.0 -1 1 {} H 0.0 {0.42449 0.0952175 0.698966} H854 6674 0.0 -1 1 {} H 0.0 {0.486486 0.151701 0.0199846} H855 6675 0.0 -1 1 {} H 0.0 {0.468029 0.184129 0.486722} H856 6676 0.0 -1 1 {} H 0.0 {0.379148 0.170282 0.545224} H857 6677 0.0 -1 1 {} H 0.0 {0.586734 0.1095 0.909337} H858 6678 0.0 -1 1 {} H 0.0 {0.442922 0.0033507 0.876521} H859 6679 0.0 -1 8 {} O 0.0 {0.431904 0.113115 0.0891804} O4021 6680 0.0 -1 8 {} O 0.0 {0.442902 0.105419 0.614271} O4022 6681 0.0 -1 8 {} O 0.0 {0.537832 0.173571 0.913345} O4023 6682 0.0 -1 8 {} O 0.0 {0.452738 0.105539 0.349832} O4024 6683 0.0 -1 8 {} O 0.0 {0.35033 0.119317 0.0864997} O4025 6684 0.0 -1 1 {} H 0.0 {0.480337 0.109637 0.556978} H860 6685 0.0 -1 1 {} H 0.0 {0.298344 0.0970148 0.285041} H861 6686 0.0 -1 1 {} H 0.0 {0.29055 0.108068 0.0740076} H862 6687 0.0 -1 1 {} H 0.0 {0.413738 0.0316898 0.68897} H863 6688 0.0 -1 1 {} H 0.0 {0.319726 0.105563 0.258283} H864 6689 0.0 -1 1 {} H 0.0 {0.4066 0.187485 0.579608} H865 6690 0.0 -1 1 {} H 0.0 {0.434918 0.117523 0.826505} H866 6691 0.0 -1 1 {} H 0.0 {0.231425 0.12145 0.590437} H867 6692 0.0 -1 1 {} H 0.0 {0.63051 0.885745 0.756184} H868 6693 0.0 -1 1 {} H 0.0 {0.290037 0.15167 0.0236005} H869 6694 0.0 -1 1 {} H 0.0 {0.379498 0.0998246 0.728997} H870 6695 0.0 -1 8 {} O 0.0 {0.403639 0.0981109 0.745038} O4026 6696 0.0 -1 8 {} O 0.0 {0.423014 0.102887 0.631034} O4027 6697 0.0 -1 8 {} O 0.0 {0.399588 0.146281 0.78416} O4028 6698 0.0 -1 1 {} H 0.0 {0.269368 0.106296 0.0988705} H871 6699 0.0 -1 1 {} H 0.0 {0.458472 0.142805 0.891049} H872 6700 0.0 -1 1 {} H 0.0 {0.383945 0.117555 0.197976} H873 6701 0.0 -1 1 {} H 0.0 {0.291277 0.145117 0.426591} H874 6702 0.0 -1 1 {} H 0.0 {0.402405 0.162926 0.837224} H875 6703 0.0 -1 1 {} H 0.0 {0.363094 0.00550019 0.534488} H876 6704 0.0 -1 8 {} O 0.0 {0.414114 0.113321 0.799064} O4029 6705 0.0 -1 8 {} O 0.0 {0.404245 0.170868 0.851246} O4030 6706 0.0 -1 8 {} O 0.0 {0.384506 0.112258 0.2371} O4031 6707 0.0 -1 8 {} O 0.0 {0.428511 0.175485 0.818137} O4032 6708 0.0 -1 8 {} O 0.0 {0.382186 0.106053 0.589386} O4033 6709 0.0 -1 1 {} H 0.0 {0.301467 0.119161 0.277581} H877 6710 0.0 -1 1 {} H 0.0 {0.410411 0.126029 0.277729} H878 6711 0.0 -1 1 {} H 0.0 {0.417769 0.119158 0.949603} H879 6712 0.0 -1 1 {} H 0.0 {0.278893 0.129347 0.332962} H880 6713 0.0 -1 1 {} H 0.0 {0.305098 0.127074 0.234782} H881 6714 0.0 -1 1 {} H 0.0 {0.309857 0.132935 0.873554} H882 6715 0.0 -1 1 {} H 0.0 {0.556033 0.145656 0.70054} H883 6716 0.0 -1 1 {} H 0.0 {0.417751 0.163775 0.729304} H884 6717 0.0 -1 1 {} H 0.0 {0.255542 0.113 0.837085} H885 6718 0.0 -1 1 {} H 0.0 {0.430839 0.111968 0.490417} H886 6719 0.0 -1 1 {} H 0.0 {0.362375 0.085203 0.691784} H887 6720 0.0 -1 8 {} O 0.0 {0.383327 0.0950589 0.73462} O4034 6721 0.0 -1 8 {} O 0.0 {0.397288 0.180256 0.369796} O4035 6722 0.0 -1 8 {} O 0.0 {0.389298 0.126561 0.329102} O4036 6723 0.0 -1 1 {} H 0.0 {0.323561 0.154901 0.333587} H888 6724 0.0 -1 1 {} H 0.0 {0.337886 0.113115 0.0953771} H889 6725 0.0 -1 1 {} H 0.0 {0.341263 0.083875 0.677389} H890 6726 0.0 -1 1 {} H 0.0 {0.425934 0.100357 0.60062} H891 6727 0.0 -1 1 {} H 0.0 {0.529288 0.153266 0.383929} H892 6728 0.0 -1 1 {} H 0.0 {0.412456 0.0272575 0.715293} H893 6729 0.0 -1 8 {} O 0.0 {0.300036 0.150375 0.921163} O4037 6730 0.0 -1 8 {} O 0.0 {0.256229 0.121657 0.816717} O4038 6731 0.0 -1 8 {} O 0.0 {0.341734 0.0896942 0.712681} O4039 6732 0.0 -1 8 {} O 0.0 {0.329059 0.128438 0.320459} O4040 6733 0.0 -1 8 {} O 0.0 {0.453725 0.193583 0.661692} O4041 6734 0.0 -1 1 {} H 0.0 {0.397472 0.192593 0.950325} H894 6735 0.0 -1 1 {} H 0.0 {0.260625 0.11702 0.782105} H895 6736 0.0 -1 1 {} H 0.0 {0.537802 0.156237 0.375498} H896 6737 0.0 -1 1 {} H 0.0 {0.305493 0.0818217 0.684339} H897 6738 0.0 -1 1 {} H 0.0 {0.246856 0.11044 0.71654} H898 6739 0.0 -1 1 {} H 0.0 {0.289043 0.107032 0.383851} H899 6740 0.0 -1 1 {} H 0.0 {0.374617 0.174931 0.0187547} H900 6741 0.0 -1 1 {} H 0.0 {0.317031 0.133987 0.812818} H901 6742 0.0 -1 1 {} H 0.0 {0.330072 0.13497 0.0750619} H902 6743 0.0 -1 1 {} H 0.0 {0.364641 0.140109 0.247896} H903 6744 0.0 -1 1 {} H 0.0 {0.325505 0.0851478 0.696307} H904 6745 0.0 -1 8 {} O 0.0 {0.364464 0.0874991 0.727646} O4042 6746 0.0 -1 8 {} O 0.0 {0.3423 0.104545 0.222135} O4043 6747 0.0 -1 8 {} O 0.0 {0.275164 0.130036 0.32236} O4044 6748 0.0 -1 1 {} H 0.0 {0.267588 0.121253 0.795564} H905 6749 0.0 -1 1 {} H 0.0 {0.381087 0.112496 0.557382} H906 6750 0.0 -1 1 {} H 0.0 {0.347259 0.120137 0.447665} H907 6751 0.0 -1 1 {} H 0.0 {0.429419 0.107542 0.107899} H908 6752 0.0 -1 1 {} H 0.0 {0.310735 0.138721 0.116471} H909 6753 0.0 -1 1 {} H 0.0 {0.44707 0.18626 0.141794} H910 6754 0.0 -1 8 {} O 0.0 {0.320366 0.149642 0.48902} O4045 6755 0.0 -1 8 {} O 0.0 {0.247684 0.119256 0.731272} O4046 6756 0.0 -1 8 {} O 0.0 {0.322116 0.110158 0.954572} O4047 6757 0.0 -1 8 {} O 0.0 {0.330442 0.140633 0.678156} O4048 6758 0.0 -1 8 {} O 0.0 {0.528799 0.148992 0.143456} O4049 6759 0.0 -1 1 {} H 0.0 {0.288862 0.134913 0.27312} H911 6760 0.0 -1 1 {} H 0.0 {0.0383694 0.942656 0.143772} H912 6761 0.0 -1 1 {} H 0.0 {0.217891 0.0949523 0.382488} H913 6762 0.0 -1 8 {} O 0.0 {0.323386 0.0906481 0.724214} O4050 6763 0.0 -1 8 {} O 0.0 {0.196116 0.110726 0.575218} O4051 6764 0.0 -1 1 {} H 0.0 {0.244394 0.0873298 0.0127889} H914 6765 0.0 -1 1 {} H 0.0 {0.339725 0.0939868 0.0506244} H915 6766 0.0 -1 8 {} O 0.0 {0.303418 0.0884066 0.709732} O4052 6767 0.0 -1 8 {} O 0.0 {0.242052 0.0912467 0.728383} O4053 6768 0.0 -1 1 {} H 0.0 {0.412409 0.167478 0.647976} H916 6769 0.0 -1 1 {} H 0.0 {0.740521 0.865227 0.827895} H917 6770 0.0 -1 1 {} H 0.0 {0.494507 0.118207 0.509975} H918 6771 0.0 -1 1 {} H 0.0 {0.402567 0.146395 0.642775} H919 6772 0.0 -1 8 {} O 0.0 {0.545201 0.154641 0.588078} O4054 6773 0.0 -1 1 {} H 0.0 {0.657912 0.161058 0.648897} H920 6774 0.0 -1 1 {} H 0.0 {0.546575 0.106249 0.521281} H921 6775 0.0 -1 1 {} H 0.0 {0.559293 0.184921 0.653184} H922 6776 0.0 -1 8 {} O 0.0 {0.620341 0.163318 0.0871936} O4055 6777 0.0 -1 8 {} O 0.0 {0.584253 0.123138 0.784947} O4056 6778 0.0 -1 8 {} O 0.0 {0.489475 0.131433 0.0202853} O4057 6779 0.0 -1 1 {} H 0.0 {0.677538 0.152092 0.443733} H923 6780 0.0 -1 1 {} H 0.0 {0.295494 0.0990701 0.0798091} H924 6781 0.0 -1 1 {} H 0.0 {0.473044 0.127444 0.186773} H925 6782 0.0 -1 1 {} H 0.0 {0.668064 0.89229 0.079448} H926 6783 0.0 -1 1 {} H 0.0 {0.342857 0.128121 0.699188} H927 6784 0.0 -1 1 {} H 0.0 {0.681174 0.877398 0.280285} H928 6785 0.0 -1 1 {} H 0.0 {0.473592 0.155917 0.35685} H929 6786 0.0 -1 1 {} H 0.0 {0.474508 0.134513 0.96305} H930 6787 0.0 -1 1 {} H 0.0 {0.49876 0.170873 0.599462} H931 6788 0.0 -1 1 {} H 0.0 {0.616623 0.191631 0.65501} H932 6789 0.0 -1 1 {} H 0.0 {0.605098 0.196969 0.356971} H933 6790 0.0 -1 1 {} H 0.0 {0.624052 0.205603 0.0564502} H934 6791 0.0 -1 1 {} H 0.0 {0.565451 0.125348 0.938699} H935 6792 0.0 -1 1 {} H 0.0 {0.471027 0.135369 0.852027} H936 6793 0.0 -1 1 {} H 0.0 {0.596256 0.0955324 0.0311491} H937 6794 0.0 -1 1 {} H 0.0 {0.467355 0.121588 0.182172} H938 6795 0.0 -1 8 {} O 0.0 {0.555337 0.931919 0.778229} O4058 6796 0.0 -1 8 {} O 0.0 {0.64525 0.125493 0.702303} O4059 6797 0.0 -1 8 {} O 0.0 {0.667908 0.127563 0.958485} O4060 6798 0.0 -1 8 {} O 0.0 {0.47374 0.15634 0.523865} O4061 6799 0.0 -1 1 {} H 0.0 {0.365468 0.102159 0.563633} H939 6800 0.0 -1 1 {} H 0.0 {0.408032 0.164559 0.422066} H940 6801 0.0 -1 1 {} H 0.0 {0.452213 0.181738 0.535343} H941 6802 0.0 -1 1 {} H 0.0 {0.30483 0.108304 0.094205} H942 6803 0.0 -1 1 {} H 0.0 {0.357834 0.936716 0.483907} H943 6804 0.0 -1 1 {} H 0.0 {0.407027 0.932091 0.86291} H944 6805 0.0 -1 1 {} H 0.0 {0.435032 0.163059 0.948796} H945 6806 0.0 -1 1 {} H 0.0 {0.548453 0.156372 0.926018} H946 6807 0.0 -1 8 {} O 0.0 {0.396165 0.121298 0.148626} O4062 6808 0.0 -1 8 {} O 0.0 {0.302113 0.0975013 0.30043} O4063 6809 0.0 -1 8 {} O 0.0 {0.429386 0.198978 0.719832} O4064 6810 0.0 -1 8 {} O 0.0 {0.484146 0.114392 0.91547} O4065 6811 0.0 -1 8 {} O 0.0 {0.475574 0.179881 0.433285} O4066 6812 0.0 -1 8 {} O 0.0 {0.677909 0.872782 0.266285} O4067 6813 0.0 -1 8 {} O 0.0 {0.603288 0.180856 0.723108} O4068 6814 0.0 -1 8 {} O 0.0 {0.558925 0.186192 0.954456} O4069 6815 0.0 -1 1 {} H 0.0 {0.572737 0.224409 0.726419} H947 6816 0.0 -1 1 {} H 0.0 {0.41653 0.118276 0.55576} H948 6817 0.0 -1 1 {} H 0.0 {0.497064 0.103022 0.710294} H949 6818 0.0 -1 1 {} H 0.0 {0.55739 0.132163 0.769327} H950 6819 0.0 -1 1 {} H 0.0 {0.404059 0.099519 0.598472} H951 6820 0.0 -1 1 {} H 0.0 {0.308521 0.134169 0.0493389} H952 6821 0.0 -1 1 {} H 0.0 {0.435793 0.169991 0.665519} H953 6822 0.0 -1 1 {} H 0.0 {0.333232 0.926602 0.468062} H954 6823 0.0 -1 1 {} H 0.0 {0.253392 0.121843 0.781309} H955 6824 0.0 -1 1 {} H 0.0 {0.519341 0.115299 0.802553} H956 6825 0.0 -1 1 {} H 0.0 {0.538601 0.120099 0.140764} H957 6826 0.0 -1 1 {} H 0.0 {0.597833 0.163733 0.131237} H958 6827 0.0 -1 1 {} H 0.0 {0.58961 0.228915 0.898652} H959 6828 0.0 -1 1 {} H 0.0 {0.693247 0.115449 0.112106} H960 6829 0.0 -1 1 {} H 0.0 {0.600637 0.0958442 0.627177} H961 6830 0.0 -1 1 {} H 0.0 {0.531851 0.151663 0.168752} H962 6831 0.0 -1 8 {} O 0.0 {0.356322 0.125213 0.329891} O4070 6832 0.0 -1 8 {} O 0.0 {0.396375 0.142117 0.989111} O4071 6833 0.0 -1 8 {} O 0.0 {0.636809 0.193906 0.997607} O4072 6834 0.0 -1 8 {} O 0.0 {0.547525 0.160413 0.885019} O4073 6835 0.0 -1 1 {} H 0.0 {0.372796 0.186269 0.417534} H963 6836 0.0 -1 1 {} H 0.0 {0.594861 0.138256 0.589544} H964 6837 0.0 -1 1 {} H 0.0 {0.437186 0.151761 0.310425} H965 6838 0.0 -1 1 {} H 0.0 {0.407199 0.107468 0.286681} H966 6839 0.0 -1 1 {} H 0.0 {0.595523 0.196777 0.198372} H967 6840 0.0 -1 1 {} H 0.0 {0.506582 0.126779 0.369455} H968 6841 0.0 -1 1 {} H 0.0 {0.467574 0.140566 0.436235} H969 6842 0.0 -1 1 {} H 0.0 {0.504579 0.15406 0.0883094} H970 6843 0.0 -1 8 {} O 0.0 {0.503356 0.154574 0.765025} O4074 6844 0.0 -1 8 {} O 0.0 {0.413866 0.146344 0.923431} O4075 6845 0.0 -1 8 {} O 0.0 {0.600958 0.183159 0.968464} O4076 6846 0.0 -1 8 {} O 0.0 {0.388333 0.172185 0.016117} O4077 6847 0.0 -1 8 {} O 0.0 {0.38239 0.146318 0.442534} O4078 6848 0.0 -1 8 {} O 0.0 {0.310906 0.140513 0.0698544} O4079 6849 0.0 -1 8 {} O 0.0 {0.50621 0.173721 0.948651} O4080 6850 0.0 -1 8 {} O 0.0 {0.340432 0.119253 0.118648} O4081 6851 0.0 -1 1 {} H 0.0 {0.46303 0.135531 0.836708} H971 6852 0.0 -1 1 {} H 0.0 {0.485641 0.102435 0.241862} H972 6853 0.0 -1 1 {} H 0.0 {0.598255 0.172491 0.935694} H973 6854 0.0 -1 1 {} H 0.0 {0.593328 0.846892 0.819033} H974 6855 0.0 -1 1 {} H 0.0 {0.373631 0.133577 0.207245} H975 6856 0.0 -1 1 {} H 0.0 {0.483042 0.121065 0.245034} H976 6857 0.0 -1 1 {} H 0.0 {0.347503 0.118679 0.662928} H977 6858 0.0 -1 1 {} H 0.0 {0.553682 0.876409 0.609879} H978 6859 0.0 -1 1 {} H 0.0 {0.494543 0.177947 0.87826} H979 6860 0.0 -1 1 {} H 0.0 {0.478187 0.181397 0.695037} H980 6861 0.0 -1 1 {} H 0.0 {0.306359 0.114738 0.632651} H981 6862 0.0 -1 1 {} H 0.0 {0.501663 0.110226 0.367726} H982 6863 0.0 -1 1 {} H 0.0 {0.581085 0.885872 0.957534} H983 6864 0.0 -1 1 {} H 0.0 {0.463807 0.185376 0.58562} H984 6865 0.0 -1 1 {} H 0.0 {0.346541 0.112131 0.86042} H985 6866 0.0 -1 1 {} H 0.0 {0.679839 0.854363 0.390835} H986 6867 0.0 -1 8 {} O 0.0 {0.587769 0.209825 0.601809} O4082 6868 0.0 -1 8 {} O 0.0 {0.524946 0.102519 0.948548} O4083 6869 0.0 -1 8 {} O 0.0 {0.379047 0.192235 0.88371} O4084 6870 0.0 -1 8 {} O 0.0 {0.318476 0.151333 0.981134} O4085 6871 0.0 -1 1 {} H 0.0 {0.442883 0.152855 0.89577} H987 6872 0.0 -1 1 {} H 0.0 {0.416238 0.105074 0.794779} H988 6873 0.0 -1 1 {} H 0.0 {0.48901 0.132426 0.495482} H989 6874 0.0 -1 1 {} H 0.0 {0.385528 0.19136 0.671433} H990 6875 0.0 -1 1 {} H 0.0 {0.340644 0.913916 0.32308} H991 6876 0.0 -1 1 {} H 0.0 {0.329727 0.130967 0.676346} H992 6877 0.0 -1 1 {} H 0.0 {0.476866 0.17476 0.39652} H993 6878 0.0 -1 1 {} H 0.0 {0.392727 0.123943 0.129796} H994 6879 0.0 -1 8 {} O 0.0 {0.371572 0.156365 0.0617543} O4086 6880 0.0 -1 8 {} O 0.0 {0.406276 0.131928 0.70251} O4087 6881 0.0 -1 8 {} O 0.0 {0.556078 0.141223 0.891167} O4088 6882 0.0 -1 8 {} O 0.0 {0.40283 0.105194 0.926789} O4089 6883 0.0 -1 8 {} O 0.0 {0.360129 0.92224 0.114174} O4090 6884 0.0 -1 8 {} O 0.0 {0.468765 0.138801 0.816312} O4091 6885 0.0 -1 8 {} O 0.0 {0.594863 0.104304 0.378219} O4092 6886 0.0 -1 8 {} O 0.0 {0.37887 0.134397 0.762991} O4093 6887 0.0 -1 1 {} H 0.0 {0.335225 0.106898 0.388247} H995 6888 0.0 -1 1 {} H 0.0 {0.449154 0.127928 0.59826} H996 6889 0.0 -1 1 {} H 0.0 {0.575144 0.157984 0.832124} H997 6890 0.0 -1 1 {} H 0.0 {0.420695 0.131615 0.170804} H998 6891 0.0 -1 1 {} H 0.0 {0.331679 0.108264 0.65162} H999 6892 0.0 -1 1 {} H 0.0 {0.281232 0.0968193 0.369482} H1000 6893 0.0 -1 1 {} H 0.0 {0.350048 0.116743 0.514419} H1001 6894 0.0 -1 1 {} H 0.0 {0.483296 0.127516 0.5348} H1002 6895 0.0 -1 1 {} H 0.0 {0.301617 0.125879 0.547509} H1003 6896 0.0 -1 1 {} H 0.0 {0.467894 0.152401 0.500424} H1004 6897 0.0 -1 1 {} H 0.0 {0.225973 0.106012 0.741979} H1005 6898 0.0 -1 1 {} H 0.0 {0.535104 0.12648 0.0434038} H1006 6899 0.0 -1 1 {} H 0.0 {0.561679 0.119195 0.0891894} H1007 6900 0.0 -1 1 {} H 0.0 {0.225561 0.0974475 0.683136} H1008 6901 0.0 -1 1 {} H 0.0 {0.581021 0.161345 0.557451} H1009 6902 0.0 -1 1 {} H 0.0 {0.412054 0.120183 0.507258} H1010 6903 0.0 -1 8 {} O 0.0 {0.582257 0.894984 0.965703} O4094 6904 0.0 -1 8 {} O 0.0 {0.384711 0.21515 0.891693} O4095 6905 0.0 -1 8 {} O 0.0 {0.223198 0.100514 0.719496} O4096 6906 0.0 -1 8 {} O 0.0 {0.560117 0.130892 0.7385} O4097 6907 0.0 -1 1 {} H 0.0 {0.406884 0.1415 0.106102} H1011 6908 0.0 -1 1 {} H 0.0 {0.552019 0.151797 0.649063} H1012 6909 0.0 -1 1 {} H 0.0 {0.401557 0.179005 0.175671} H1013 6910 0.0 -1 1 {} H 0.0 {0.572485 0.103386 0.731713} H1014 6911 0.0 -1 1 {} H 0.0 {0.429496 0.184298 0.812358} H1015 6912 0.0 -1 1 {} H 0.0 {0.278734 0.100614 0.923213} H1016 6913 0.0 -1 1 {} H 0.0 {0.340158 0.122352 0.78816} H1017 6914 0.0 -1 1 {} H 0.0 {0.358939 0.138676 0.192421} H1018 6915 0.0 -1 8 {} O 0.0 {0.536628 0.115248 0.905049} O4098 6916 0.0 -1 8 {} O 0.0 {0.462379 0.14312 0.268227} O4099 6917 0.0 -1 8 {} O 0.0 {0.469713 0.159194 0.985904} O4100 6918 0.0 -1 8 {} O 0.0 {0.405327 0.162424 0.389835} O4101 6919 0.0 -1 8 {} O 0.0 {0.345547 0.127021 0.659029} O4102 6920 0.0 -1 8 {} O 0.0 {0.282 0.0976034 0.416713} O4103 6921 0.0 -1 8 {} O 0.0 {0.565134 0.840683 0.200115} O4104 6922 0.0 -1 8 {} O 0.0 {0.409217 0.17055 0.274948} O4105 6923 0.0 -1 1 {} H 0.0 {0.321427 0.153877 0.212275} H1019 6924 0.0 -1 1 {} H 0.0 {0.525717 0.122916 0.919948} H1020 6925 0.0 -1 1 {} H 0.0 {0.416374 0.139097 0.313471} H1021 6926 0.0 -1 1 {} H 0.0 {0.325631 0.102234 0.246766} H1022 6927 0.0 -1 1 {} H 0.0 {0.384172 0.11595 0.104756} H1023 6928 0.0 -1 1 {} H 0.0 {0.406972 0.928305 0.0746524} H1024 6929 0.0 -1 1 {} H 0.0 {0.400697 0.18564 0.517672} H1025 6930 0.0 -1 1 {} H 0.0 {0.429899 0.863904 0.84547} H1026 6931 0.0 -1 1 {} H 0.0 {0.407633 0.166047 0.319241} H1027 6932 0.0 -1 1 {} H 0.0 {0.572774 0.886922 0.813544} H1028 6933 0.0 -1 1 {} H 0.0 {0.585323 0.865072 0.604371} H1029 6934 0.0 -1 1 {} H 0.0 {0.438462 0.167119 0.408055} H1030 6935 0.0 -1 1 {} H 0.0 {0.373239 0.206405 0.620976} H1031 6936 0.0 -1 1 {} H 0.0 {0.586403 0.88064 0.620093} H1032 6937 0.0 -1 1 {} H 0.0 {0.380779 0.151662 0.40801} H1033 6938 0.0 -1 1 {} H 0.0 {0.387628 0.162641 0.0139442} H1034 6939 0.0 -1 8 {} O 0.0 {0.564367 0.210181 0.188341} O4106 6940 0.0 -1 8 {} O 0.0 {0.579103 0.180335 0.578656} O4107 6941 0.0 -1 8 {} O 0.0 {0.584489 0.874148 0.586408} O4108 6942 0.0 -1 8 {} O 0.0 {0.496576 0.165715 0.629042} O4109 6943 0.0 -1 1 {} H 0.0 {0.336586 0.129719 0.552951} H1035 6944 0.0 -1 1 {} H 0.0 {0.402078 0.140162 0.759471} H1036 6945 0.0 -1 1 {} H 0.0 {0.416717 0.176086 0.510178} H1037 6946 0.0 -1 1 {} H 0.0 {0.328598 0.158675 0.196267} H1038 6947 0.0 -1 1 {} H 0.0 {0.354637 0.914039 0.384676} H1039 6948 0.0 -1 1 {} H 0.0 {0.641315 0.819894 0.685183} H1040 6949 0.0 -1 1 {} H 0.0 {0.409845 0.163042 0.242635} H1041 6950 0.0 -1 1 {} H 0.0 {0.251422 0.10507 0.392165} H1042 6951 0.0 -1 8 {} O 0.0 {0.28709 0.115265 0.57844} O4110 6952 0.0 -1 8 {} O 0.0 {0.38871 0.17849 0.89388} O4111 6953 0.0 -1 8 {} O 0.0 {0.448701 0.15441 0.3629} O4112 6954 0.0 -1 8 {} O 0.0 {0.323284 0.109514 0.248944} O4113 6955 0.0 -1 8 {} O 0.0 {0.3739 0.107174 0.714484} O4114 6956 0.0 -1 8 {} O 0.0 {0.407834 0.919323 0.0641245} O4115 6957 0.0 -1 8 {} O 0.0 {0.310908 0.106564 0.390511} O4116 6958 0.0 -1 8 {} O 0.0 {0.328563 0.133201 0.117872} O4117 6959 0.0 -1 1 {} H 0.0 {0.278911 0.113445 0.633904} H1043 6960 0.0 -1 1 {} H 0.0 {0.383088 0.130369 0.701827} H1044 6961 0.0 -1 1 {} H 0.0 {0.321777 0.167685 0.196539} H1045 6962 0.0 -1 1 {} H 0.0 {0.326303 0.135136 0.342225} H1046 6963 0.0 -1 1 {} H 0.0 {0.333572 0.141978 0.70482} H1047 6964 0.0 -1 1 {} H 0.0 {0.288361 0.10585 0.735353} H1048 6965 0.0 -1 1 {} H 0.0 {0.260231 0.933029 0.230579} H1049 6966 0.0 -1 1 {} H 0.0 {0.117626 0.0899209 0.749434} H1050 6967 0.0 -1 1 {} H 0.0 {0.391975 0.173415 0.037735} H1051 6968 0.0 -1 1 {} H 0.0 {0.314232 0.121782 0.225356} H1052 6969 0.0 -1 1 {} H 0.0 {0.532474 0.849873 0.351113} H1053 6970 0.0 -1 1 {} H 0.0 {0.273247 0.128801 0.361239} H1054 6971 0.0 -1 1 {} H 0.0 {0.199018 0.0954283 0.00611686} H1055 6972 0.0 -1 1 {} H 0.0 {0.428451 0.859737 0.456237} H1056 6973 0.0 -1 1 {} H 0.0 {0.331384 0.126855 0.13467} H1057 6974 0.0 -1 1 {} H 0.0 {0.289266 0.124931 0.332883} H1058 6975 0.0 -1 8 {} O 0.0 {0.464174 0.185303 0.492148} O4118 6976 0.0 -1 8 {} O 0.0 {0.475772 0.136074 0.920075} O4119 6977 0.0 -1 8 {} O 0.0 {0.466013 0.91466 0.366416} O4120 6978 0.0 -1 8 {} O 0.0 {0.202497 0.096785 0.0262333} O4121 6979 0.0 -1 1 {} H 0.0 {0.409778 0.105105 0.0892227} H1059 6980 0.0 -1 1 {} H 0.0 {0.232189 0.129609 0.182578} H1060 6981 0.0 -1 1 {} H 0.0 {0.223971 0.114345 0.101407} H1061 6982 0.0 -1 1 {} H 0.0 {0.243975 0.100001 0.365876} H1062 6983 0.0 -1 1 {} H 0.0 {0.311941 0.125438 0.790358} H1063 6984 0.0 -1 1 {} H 0.0 {0.364781 0.118738 0.0803165} H1064 6985 0.0 -1 1 {} H 0.0 {0.460706 0.107155 0.947112} H1065 6986 0.0 -1 1 {} H 0.0 {0.234238 0.115956 0.469359} H1066 6987 0.0 -1 8 {} O 0.0 {0.35907 0.141178 0.976185} O4122 6988 0.0 -1 8 {} O 0.0 {0.413029 0.169245 0.503345} O4123 6989 0.0 -1 8 {} O 0.0 {0.133641 0.103325 0.0503033} O4124 6990 0.0 -1 8 {} O 0.0 {0.372533 0.102457 0.365185} O4125 6991 0.0 -1 8 {} O 0.0 {0.312157 0.127627 0.196056} O4126 6992 0.0 -1 8 {} O 0.0 {0.462039 0.105338 0.611561} O4127 6993 0.0 -1 8 {} O 0.0 {0.394116 0.156106 0.181146} O4128 6994 0.0 -1 8 {} O 0.0 {0.232821 0.11393 0.426642} O4129 6995 0.0 -1 1 {} H 0.0 {0.263204 0.104878 0.367449} H1067 6996 0.0 -1 1 {} H 0.0 {0.20237 0.106148 0.0425168} H1068 6997 0.0 -1 1 {} H 0.0 {0.263695 0.0865909 0.676638} H1069 6998 0.0 -1 1 {} H 0.0 {0.698808 0.18791 0.352551} H1070 6999 0.0 -1 8 {} O 0.0 {0.286879 0.132867 0.315528} O4130 7000 0.0 -1 8 {} O 0.0 {0.699721 0.184128 0.311853} O4131 7001 0.0 -1 1 {} H 0.0 {0.406563 0.103748 0.927398} H1071 7002 0.0 -1 1 {} H 0.0 {0.87534 0.930548 0.28287} H1072 7003 0.0 -1 1 {} H 0.0 {0.261333 0.925505 0.171952} H1073 7004 0.0 -1 8 {} O 0.0 {0.222649 0.0911262 0.0587305} O4132 7005 0.0 -1 8 {} O 0.0 {0.876558 0.938381 0.258592} O4133 7006 0.0 -1 8 {} O 0.0 {0.262973 0.926913 0.212497} O4134 7007 0.0 -1 1 {} H 0.0 {0.429145 0.879742 0.7345} H1074 7008 0.0 -1 1 {} H 0.0 {0.543845 0.842861 0.0251266} H1075 7009 0.0 -1 1 {} H 0.0 {0.44748 0.14881 0.399002} H1076 7010 0.0 -1 1 {} H 0.0 {0.493108 0.874694 0.317091} H1077 7011 0.0 -1 8 {} O 0.0 {0.5467 0.79716 0.400346} O4135 7012 0.0 -1 1 {} H 0.0 {0.774887 0.927192 0.401371} H1078 7013 0.0 -1 1 {} H 0.0 {0.461796 0.802217 0.960516} H1079 7014 0.0 -1 1 {} H 0.0 {0.468768 0.883164 0.681245} H1080 7015 0.0 -1 8 {} O 0.0 {0.807141 0.919042 0.257319} O4136 7016 0.0 -1 8 {} O 0.0 {0.542104 0.846996 0.986429} O4137 7017 0.0 -1 8 {} O 0.0 {0.465147 0.880576 0.688317} O4138 7018 0.0 -1 1 {} H 0.0 {0.505462 0.894563 0.966158} H1081 7019 0.0 -1 1 {} H 0.0 {0.324516 0.937632 0.0658209} H1082 7020 0.0 -1 1 {} H 0.0 {0.720924 0.896601 0.0767562} H1083 7021 0.0 -1 1 {} H 0.0 {0.738443 0.914377 0.16578} H1084 7022 0.0 -1 1 {} H 0.0 {0.528602 0.130875 0.529915} H1085 7023 0.0 -1 1 {} H 0.0 {0.370201 0.939724 0.758843} H1086 7024 0.0 -1 1 {} H 0.0 {0.42475 0.90206 0.882641} H1087 7025 0.0 -1 1 {} H 0.0 {0.310937 0.933468 0.946943} H1088 7026 0.0 -1 1 {} H 0.0 {0.438854 0.920225 0.252648} H1089 7027 0.0 -1 1 {} H 0.0 {0.37688 0.152374 0.738118} H1090 7028 0.0 -1 1 {} H 0.0 {0.450622 0.906777 0.264298} H1091 7029 0.0 -1 1 {} H 0.0 {0.588088 0.860721 0.790895} H1092 7030 0.0 -1 1 {} H 0.0 {0.322135 0.896473 0.681843} H1093 7031 0.0 -1 1 {} H 0.0 {0.370079 0.9369 0.971673} H1094 7032 0.0 -1 1 {} H 0.0 {0.461372 0.103747 0.220852} H1095 7033 0.0 -1 1 {} H 0.0 {0.383793 0.898389 0.390569} H1096 7034 0.0 -1 8 {} O 0.0 {0.440941 0.78568 0.937} O4139 7035 0.0 -1 8 {} O 0.0 {0.438158 0.124795 0.889351} O4140 7036 0.0 -1 8 {} O 0.0 {0.555764 0.884767 0.751853} O4141 7037 0.0 -1 8 {} O 0.0 {0.64855 0.910538 0.0130712} O4142 7038 0.0 -1 1 {} H 0.0 {0.632441 0.804847 0.759465} H1097 7039 0.0 -1 1 {} H 0.0 {0.410094 0.903328 0.499884} H1098 7040 0.0 -1 1 {} H 0.0 {0.533985 0.898707 0.111299} H1099 7041 0.0 -1 1 {} H 0.0 {0.686986 0.867941 0.867941} H1100 7042 0.0 -1 1 {} H 0.0 {0.444439 0.902913 0.243961} H1101 7043 0.0 -1 1 {} H 0.0 {0.397889 0.167708 0.0957518} H1102 7044 0.0 -1 1 {} H 0.0 {0.349963 0.936481 0.945018} H1103 7045 0.0 -1 1 {} H 0.0 {0.585826 0.187686 0.775518} H1104 7046 0.0 -1 8 {} O 0.0 {0.798469 0.929774 0.431838} O4143 7047 0.0 -1 8 {} O 0.0 {0.372049 0.940801 0.572846} O4144 7048 0.0 -1 8 {} O 0.0 {0.694041 0.901231 0.863888} O4145 7049 0.0 -1 8 {} O 0.0 {0.707838 0.921249 0.581666} O4146 7050 0.0 -1 8 {} O 0.0 {0.448341 0.8996 0.245324} O4147 7051 0.0 -1 8 {} O 0.0 {0.398702 0.175199 0.0698895} O4148 7052 0.0 -1 8 {} O 0.0 {0.351267 0.944238 0.91368} O4149 7053 0.0 -1 8 {} O 0.0 {0.502246 0.181185 0.742482} O4150 7054 0.0 -1 1 {} H 0.0 {0.582602 0.831161 0.376839} H1105 7055 0.0 -1 1 {} H 0.0 {0.337727 0.937332 0.459955} H1106 7056 0.0 -1 1 {} H 0.0 {0.481557 0.903687 0.0656021} H1107 7057 0.0 -1 1 {} H 0.0 {0.358638 0.926386 0.611186} H1108 7058 0.0 -1 1 {} H 0.0 {0.299943 0.119418 0.69461} H1109 7059 0.0 -1 1 {} H 0.0 {0.698333 0.899453 0.349643} H1110 7060 0.0 -1 1 {} H 0.0 {0.447663 0.877124 0.827319} H1111 7061 0.0 -1 1 {} H 0.0 {0.556606 0.811942 0.56718} H1112 7062 0.0 -1 1 {} H 0.0 {0.458704 0.885371 0.513203} H1113 7063 0.0 -1 1 {} H 0.0 {0.552697 0.0957493 0.725813} H1114 7064 0.0 -1 1 {} H 0.0 {0.32849 0.931341 0.688788} H1115 7065 0.0 -1 1 {} H 0.0 {0.4436 0.917294 0.438951} H1116 7066 0.0 -1 1 {} H 0.0 {0.452653 0.80371 0.820839} H1117 7067 0.0 -1 1 {} H 0.0 {0.468662 0.854175 0.449589} H1118 7068 0.0 -1 1 {} H 0.0 {0.634412 0.15388 0.229914} H1119 7069 0.0 -1 1 {} H 0.0 {0.46297 0.925094 0.625995} H1120 7070 0.0 -1 8 {} O 0.0 {0.387149 0.899248 0.373966} O4151 7071 0.0 -1 8 {} O 0.0 {0.555187 0.152322 0.363067} O4152 7072 0.0 -1 8 {} O 0.0 {0.467284 0.856182 0.407873} O4153 7073 0.0 -1 8 {} O 0.0 {0.523056 0.936339 0.542577} O4154 7074 0.0 -1 1 {} H 0.0 {0.444932 0.164414 0.943069} H1121 7075 0.0 -1 1 {} H 0.0 {0.364873 0.918752 0.659653} H1122 7076 0.0 -1 1 {} H 0.0 {0.485852 0.111724 0.585847} H1123 7077 0.0 -1 1 {} H 0.0 {0.423558 0.939458 0.162687} H1124 7078 0.0 -1 1 {} H 0.0 {0.435952 0.87045 0.23954} H1125 7079 0.0 -1 1 {} H 0.0 {0.672739 0.942937 0.435371} H1126 7080 0.0 -1 1 {} H 0.0 {0.440317 0.777128 0.150222} H1127 7081 0.0 -1 1 {} H 0.0 {0.495247 0.132693 0.590674} H1128 7082 0.0 -1 8 {} O 0.0 {0.63125 0.207115 0.320587} O4155 7083 0.0 -1 8 {} O 0.0 {0.336947 0.927847 0.452915} O4156 7084 0.0 -1 8 {} O 0.0 {0.428721 0.128765 0.981379} O4157 7085 0.0 -1 8 {} O 0.0 {0.453412 0.837045 0.993074} O4158 7086 0.0 -1 8 {} O 0.0 {0.440578 0.8524 0.850365} O4159 7087 0.0 -1 8 {} O 0.0 {0.703561 0.92595 0.994331} O4160 7088 0.0 -1 8 {} O 0.0 {0.326744 0.928541 0.52062} O4161 7089 0.0 -1 8 {} O 0.0 {0.596077 0.147157 0.600083} O4162 7090 0.0 -1 1 {} H 0.0 {0.435872 0.134439 0.264418} H1129 7091 0.0 -1 1 {} H 0.0 {0.561384 0.865004 0.90958} H1130 7092 0.0 -1 1 {} H 0.0 {0.397923 0.168119 0.207965} H1131 7093 0.0 -1 1 {} H 0.0 {0.633239 0.875171 0.640243} H1132 7094 0.0 -1 1 {} H 0.0 {0.356572 0.918649 0.11537} H1133 7095 0.0 -1 1 {} H 0.0 {0.486482 0.94194 0.224709} H1134 7096 0.0 -1 1 {} H 0.0 {0.51396 0.888544 0.832887} H1135 7097 0.0 -1 1 {} H 0.0 {0.433085 0.132692 0.119637} H1136 7098 0.0 -1 1 {} H 0.0 {0.533577 0.853033 0.482142} H1137 7099 0.0 -1 1 {} H 0.0 {0.511817 0.877439 0.406191} H1138 7100 0.0 -1 1 {} H 0.0 {0.304208 0.924753 0.0138806} H1139 7101 0.0 -1 1 {} H 0.0 {0.445908 0.942203 0.227555} H1140 7102 0.0 -1 1 {} H 0.0 {0.443661 0.939938 0.16538} H1141 7103 0.0 -1 1 {} H 0.0 {0.673473 0.873464 0.63559} H1142 7104 0.0 -1 1 {} H 0.0 {0.481689 0.859508 0.3975} H1143 7105 0.0 -1 1 {} H 0.0 {0.450848 0.183233 0.665955} H1144 7106 0.0 -1 8 {} O 0.0 {0.665178 0.903151 0.341534} O4163 7107 0.0 -1 8 {} O 0.0 {0.512148 0.868375 0.392225} O4164 7108 0.0 -1 8 {} O 0.0 {0.479089 0.906676 0.401744} O4165 7109 0.0 -1 8 {} O 0.0 {0.443422 0.9363 0.209017} O4166 7110 0.0 -1 1 {} H 0.0 {0.585245 0.808046 0.987154} H1145 7111 0.0 -1 1 {} H 0.0 {0.423842 0.878656 0.345407} H1146 7112 0.0 -1 1 {} H 0.0 {0.489268 0.172765 0.792855} H1147 7113 0.0 -1 1 {} H 0.0 {0.366701 0.933291 0.078276} H1148 7114 0.0 -1 1 {} H 0.0 {0.548148 0.880733 0.886023} H1149 7115 0.0 -1 1 {} H 0.0 {0.66189 0.907978 0.345385} H1150 7116 0.0 -1 1 {} H 0.0 {0.462099 0.152706 0.965827} H1151 7117 0.0 -1 1 {} H 0.0 {0.700103 0.922701 0.160602} H1152 7118 0.0 -1 8 {} O 0.0 {0.519527 0.921636 0.0877277} O4167 7119 0.0 -1 8 {} O 0.0 {0.628632 0.889951 0.793972} O4168 7120 0.0 -1 8 {} O 0.0 {0.454895 0.875393 0.226106} O4169 7121 0.0 -1 8 {} O 0.0 {0.502074 0.906078 0.875961} O4170 7122 0.0 -1 8 {} O 0.0 {0.577166 0.825875 0.158949} O4171 7123 0.0 -1 8 {} O 0.0 {0.558069 0.808117 0.604878} O4172 7124 0.0 -1 8 {} O 0.0 {0.530109 0.850591 0.492177} O4173 7125 0.0 -1 8 {} O 0.0 {0.692423 0.881491 0.0729054} O4174 7126 0.0 -1 1 {} H 0.0 {0.440899 0.874297 0.411999} H1153 7127 0.0 -1 1 {} H 0.0 {0.519873 0.134763 0.743881} H1154 7128 0.0 -1 1 {} H 0.0 {0.433635 0.88254 0.196883} H1155 7129 0.0 -1 1 {} H 0.0 {0.616349 0.943676 0.106857} H1156 7130 0.0 -1 1 {} H 0.0 {0.395006 0.146406 0.73388} H1157 7131 0.0 -1 1 {} H 0.0 {0.434753 0.916702 0.684668} H1158 7132 0.0 -1 1 {} H 0.0 {0.575062 0.855874 0.452755} H1159 7133 0.0 -1 1 {} H 0.0 {0.627116 0.904305 0.924082} H1160 7134 0.0 -1 1 {} H 0.0 {0.460367 0.126316 0.899907} H1161 7135 0.0 -1 1 {} H 0.0 {0.273997 0.937226 0.195544} H1162 7136 0.0 -1 1 {} H 0.0 {0.423072 0.917755 0.621862} H1163 7137 0.0 -1 1 {} H 0.0 {0.562479 0.896977 0.470758} H1164 7138 0.0 -1 1 {} H 0.0 {0.326969 0.951535 0.886803} H1165 7139 0.0 -1 1 {} H 0.0 {0.664908 0.862639 0.489724} H1166 7140 0.0 -1 1 {} H 0.0 {0.621211 0.866035 0.133367} H1167 7141 0.0 -1 1 {} H 0.0 {0.463775 0.8764 0.812107} H1168 7142 0.0 -1 8 {} O 0.0 {0.485843 0.170436 0.603466} O4175 7143 0.0 -1 8 {} O 0.0 {0.536463 0.900445 0.0755363} O4176 7144 0.0 -1 8 {} O 0.0 {0.564402 0.888886 0.467537} O4177 7145 0.0 -1 8 {} O 0.0 {0.271562 0.942288 0.928407} O4178 7146 0.0 -1 1 {} H 0.0 {0.285082 0.936065 0.714532} H1169 7147 0.0 -1 1 {} H 0.0 {0.504671 0.867755 0.0288503} H1170 7148 0.0 -1 1 {} H 0.0 {0.45862 0.913042 0.312973} H1171 7149 0.0 -1 1 {} H 0.0 {0.485063 0.906761 0.969763} H1172 7150 0.0 -1 1 {} H 0.0 {0.343758 0.944383 0.880449} H1173 7151 0.0 -1 1 {} H 0.0 {0.464257 0.908488 0.441608} H1174 7152 0.0 -1 1 {} H 0.0 {0.620981 0.880027 0.100762} H1175 7153 0.0 -1 1 {} H 0.0 {0.342292 0.122309 0.519969} H1176 7154 0.0 -1 8 {} O 0.0 {0.431291 0.934976 0.431053} O4179 7155 0.0 -1 8 {} O 0.0 {0.457298 0.151843 0.634127} O4180 7156 0.0 -1 8 {} O 0.0 {0.412731 0.903063 0.53403} O4181 7157 0.0 -1 8 {} O 0.0 {0.532163 0.926667 0.435847} O4182 7158 0.0 -1 8 {} O 0.0 {0.272628 0.941786 0.794836} O4183 7159 0.0 -1 8 {} O 0.0 {0.432867 0.91376 0.723837} O4184 7160 0.0 -1 8 {} O 0.0 {0.618775 0.872706 0.119589} O4185 7161 0.0 -1 8 {} O 0.0 {0.553831 0.180491 0.355617} O4186 7162 0.0 -1 1 {} H 0.0 {0.341715 0.928403 0.23129} H1177 7163 0.0 -1 1 {} H 0.0 {0.575505 0.821742 0.123456} H1178 7164 0.0 -1 1 {} H 0.0 {0.659305 0.926368 0.98425} H1179 7165 0.0 -1 1 {} H 0.0 {0.475364 0.933779 0.583277} H1180 7166 0.0 -1 1 {} H 0.0 {0.602956 0.86553 0.532958} H1181 7167 0.0 -1 1 {} H 0.0 {0.310109 0.925277 0.0404526} H1182 7168 0.0 -1 1 {} H 0.0 {0.598464 0.800557 0.15333} H1183 7169 0.0 -1 1 {} H 0.0 {0.22709 0.946903 0.12642} H1184 7170 0.0 -1 1 {} H 0.0 {0.575275 0.916991 0.355787} H1185 7171 0.0 -1 1 {} H 0.0 {0.305478 0.141059 0.924386} H1186 7172 0.0 -1 1 {} H 0.0 {0.5957 0.918761 0.334486} H1187 7173 0.0 -1 1 {} H 0.0 {0.324458 0.1241 0.962642} H1188 7174 0.0 -1 1 {} H 0.0 {0.326388 0.125338 0.808415} H1189 7175 0.0 -1 1 {} H 0.0 {0.690262 0.916363 0.13978} H1190 7176 0.0 -1 1 {} H 0.0 {0.622359 0.90121 0.346959} H1191 7177 0.0 -1 1 {} H 0.0 {0.613797 0.875379 0.964798} H1192 7178 0.0 -1 8 {} O 0.0 {0.506083 0.884782 0.568739} O4187 7179 0.0 -1 8 {} O 0.0 {0.548522 0.915625 0.934689} O4188 7180 0.0 -1 8 {} O 0.0 {0.54064 0.844512 0.377616} O4189 7181 0.0 -1 8 {} O 0.0 {0.26201 0.108435 0.29036} O4190 7182 0.0 -1 1 {} H 0.0 {0.612071 0.886085 0.559749} H1193 7183 0.0 -1 1 {} H 0.0 {0.380808 0.201418 0.8814} H1194 7184 0.0 -1 1 {} H 0.0 {0.585926 0.836012 0.879515} H1195 7185 0.0 -1 1 {} H 0.0 {0.529145 0.93213 0.430167} H1196 7186 0.0 -1 1 {} H 0.0 {0.688678 0.893006 0.302617} H1197 7187 0.0 -1 1 {} H 0.0 {0.266698 0.941426 0.750932} H1198 7188 0.0 -1 1 {} H 0.0 {0.572982 0.843555 0.489741} H1199 7189 0.0 -1 1 {} H 0.0 {0.581112 0.915857 0.334692} H1200 7190 0.0 -1 8 {} O 0.0 {0.462363 0.868605 0.83255} O4191 7191 0.0 -1 8 {} O 0.0 {0.555925 0.90728 0.0927415} O4192 7192 0.0 -1 8 {} O 0.0 {0.53034 0.915787 0.645155} O4193 7193 0.0 -1 8 {} O 0.0 {0.485657 0.898327 0.989296} O4194 7194 0.0 -1 8 {} O 0.0 {0.687766 0.884138 0.287415} O4195 7195 0.0 -1 8 {} O 0.0 {0.291145 0.949144 0.899078} O4196 7196 0.0 -1 8 {} O 0.0 {0.573258 0.846736 0.44639} O4197 7197 0.0 -1 8 {} O 0.0 {0.578999 0.918431 0.370928} O4198 7198 0.0 -1 1 {} H 0.0 {0.551363 0.838462 0.0865493} H1201 7199 0.0 -1 1 {} H 0.0 {0.39563 0.925427 0.981127} H1202 7200 0.0 -1 1 {} H 0.0 {0.533964 0.91553 0.663616} H1203 7201 0.0 -1 1 {} H 0.0 {0.169 0.10323 0.251291} H1204 7202 0.0 -1 1 {} H 0.0 {0.391534 0.157623 0.219597} H1205 7203 0.0 -1 1 {} H 0.0 {0.465342 0.903861 0.774384} H1206 7204 0.0 -1 1 {} H 0.0 {0.184861 0.935162 0.387307} H1207 7205 0.0 -1 1 {} H 0.0 {0.522428 0.843968 0.710543} H1208 7206 0.0 -1 1 {} H 0.0 {0.341564 0.941711 0.101985} H1209 7207 0.0 -1 1 {} H 0.0 {0.128905 0.0837651 0.709238} H1210 7208 0.0 -1 1 {} H 0.0 {0.504536 0.900683 0.22431} H1211 7209 0.0 -1 1 {} H 0.0 {0.505215 0.820487 0.659266} H1212 7210 0.0 -1 1 {} H 0.0 {0.43035 0.943545 0.563923} H1213 7211 0.0 -1 1 {} H 0.0 {0.504861 0.929343 0.239457} H1214 7212 0.0 -1 1 {} H 0.0 {0.115543 0.0867913 0.681759} H1215 7213 0.0 -1 1 {} H 0.0 {0.393066 0.942257 0.836746} H1216 7214 0.0 -1 8 {} O 0.0 {0.279793 0.926709 0.00267525} O4199 7215 0.0 -1 8 {} O 0.0 {0.143277 0.0881067 0.397825} O4200 7216 0.0 -1 8 {} O 0.0 {0.612963 0.867175 0.986209} O4201 7217 0.0 -1 8 {} O 0.0 {0.485943 0.909378 0.231009} O4202 7218 0.0 -1 1 {} H 0.0 {0.391151 0.902438 0.542937} H1217 7219 0.0 -1 1 {} H 0.0 {0.667743 0.868409 0.00782415} H1218 7220 0.0 -1 1 {} H 0.0 {0.513909 0.842843 0.18544} H1219 7221 0.0 -1 1 {} H 0.0 {0.485684 0.859766 0.494925} H1220 7222 0.0 -1 1 {} H 0.0 {0.312693 0.137417 0.472564} H1221 7223 0.0 -1 1 {} H 0.0 {0.604714 0.805432 0.0768939} H1222 7224 0.0 -1 1 {} H 0.0 {0.275584 0.131761 0.177165} H1223 7225 0.0 -1 1 {} H 0.0 {0.139243 0.0928889 0.0874783} H1224 7226 0.0 -1 8 {} O 0.0 {0.406235 0.921435 0.59858} O4203 7227 0.0 -1 8 {} O 0.0 {0.665909 0.877272 0.998467} O4204 7228 0.0 -1 8 {} O 0.0 {0.523343 0.869098 0.0279853} O4205 7229 0.0 -1 8 {} O 0.0 {0.53023 0.904258 0.527376} O4206 7230 0.0 -1 8 {} O 0.0 {0.539891 0.858071 0.725601} O4207 7231 0.0 -1 8 {} O 0.0 {0.601146 0.803145 0.0762214} O4208 7232 0.0 -1 8 {} O 0.0 {0.482306 0.115689 0.58521} O4209 7233 0.0 -1 8 {} O 0.0 {0.162703 0.0935107 0.383715} O4210 7234 0.0 -1 1 {} H 0.0 {0.478842 0.922061 0.563772} H1225 7235 0.0 -1 1 {} H 0.0 {0.808608 0.930664 0.873268} H1226 7236 0.0 -1 1 {} H 0.0 {0.137959 0.0995958 0.895538} H1227 7237 0.0 -1 1 {} H 0.0 {0.452028 0.841661 0.920612} H1228 7238 0.0 -1 8 {} O 0.0 {0.394159 0.938228 0.797825} O4211 7239 0.0 -1 8 {} O 0.0 {0.470544 0.822444 0.12722} O4212 7240 0.0 -1 1 {} H 0.0 {0.76176 0.115061 0.86827} H1229 7241 0.0 -1 1 {} H 0.0 {0.424035 0.901195 0.0883541} H1230 7242 0.0 -1 1 {} H 0.0 {0.20011 0.938819 0.105254} H1231 7243 0.0 -1 8 {} O 0.0 {0.142595 0.0887386 0.0815288} O4213 7244 0.0 -1 8 {} O 0.0 {0.695426 0.899155 0.380103} O4214 7245 0.0 -1 8 {} O 0.0 {0.195484 0.94788 0.236517} O4215 7246 0.0 -1 1 {} H 0.0 {0.691991 0.940397 0.102259} H1232 7247 0.0 -1 1 {} H 0.0 {0.696966 0.913885 0.520741} H1233 7248 0.0 -1 1 {} H 0.0 {0.347618 0.940524 0.573919} H1234 7249 0.0 -1 8 {} O 0.0 {0.57316 0.941847 0.563914} O4216 7250 0.0 -1 1 {} H 0.0 {0.623218 0.924664 0.656594} H1235 7251 0.0 -1 1 {} H 0.0 {0.519955 0.911087 0.392998} H1236 7252 0.0 -1 8 {} O 0.0 {0.517559 0.909948 0.430684} O4217 7253 0.0 -1 1 {} H 0.0 {0.551832 0.934459 0.764578} H1237 7254 0.0 -1 1 {} H 0.0 {0.409441 0.888308 0.951594} H1238 7255 0.0 -1 1 {} H 0.0 {0.705789 0.926491 0.611059} H1239 7256 0.0 -1 1 {} H 0.0 {0.356462 0.927431 0.678293} H1240 7257 0.0 -1 1 {} H 0.0 {0.492819 0.920221 0.440894} H1241 7258 0.0 -1 1 {} H 0.0 {0.460509 0.88018 0.152729} H1242 7259 0.0 -1 1 {} H 0.0 {0.384327 0.928263 0.0755768} H1243 7260 0.0 -1 1 {} H 0.0 {0.278998 0.922961 0.54879} H1244 7261 0.0 -1 1 {} H 0.0 {0.390434 0.912279 0.0900633} H1245 7262 0.0 -1 1 {} H 0.0 {0.476669 0.85639 0.552385} H1246 7263 0.0 -1 1 {} H 0.0 {0.624522 0.916224 0.0645757} H1247 7264 0.0 -1 8 {} O 0.0 {0.634501 0.783602 0.944791} O4218 7265 0.0 -1 8 {} O 0.0 {0.282465 0.920168 0.565759} O4219 7266 0.0 -1 8 {} O 0.0 {0.394137 0.912862 0.100024} O4220 7267 0.0 -1 1 {} H 0.0 {0.459041 0.938613 0.411331} H1248 7268 0.0 -1 1 {} H 0.0 {0.330328 0.908236 0.343212} H1249 7269 0.0 -1 1 {} H 0.0 {0.430946 0.899403 0.0318304} H1250 7270 0.0 -1 1 {} H 0.0 {0.633095 0.792868 0.955284} H1251 7271 0.0 -1 1 {} H 0.0 {0.601718 0.959152 0.798106} H1252 7272 0.0 -1 1 {} H 0.0 {0.322617 0.92513 0.294231} H1253 7273 0.0 -1 8 {} O 0.0 {0.472154 0.952324 0.550383} O4221 7274 0.0 -1 8 {} O 0.0 {0.332028 0.900965 0.326903} O4222 7275 0.0 -1 8 {} O 0.0 {0.493786 0.915345 0.481176} O4223 7276 0.0 -1 8 {} O 0.0 {0.694503 0.935743 0.129545} O4224 7277 0.0 -1 8 {} O 0.0 {0.321208 0.934333 0.205487} O4225 7278 0.0 -1 1 {} H 0.0 {0.647015 0.892655 0.0245282} H1254 7279 0.0 -1 1 {} H 0.0 {0.556095 0.938883 0.0743094} H1255 7280 0.0 -1 1 {} H 0.0 {0.409783 0.936087 0.589918} H1256 7281 0.0 -1 1 {} H 0.0 {0.528213 0.830979 0.125694} H1257 7282 0.0 -1 1 {} H 0.0 {0.717691 0.907425 0.0546765} H1258 7283 0.0 -1 1 {} H 0.0 {0.659944 0.9173 0.0474551} H1259 7284 0.0 -1 1 {} H 0.0 {0.521462 0.944982 0.549194} H1260 7285 0.0 -1 1 {} H 0.0 {0.657735 0.844018 0.0416364} H1261 7286 0.0 -1 1 {} H 0.0 {0.295471 0.923981 0.473223} H1262 7287 0.0 -1 1 {} H 0.0 {0.49472 0.849501 0.617791} H1263 7288 0.0 -1 1 {} H 0.0 {0.42889 0.893266 0.403328} H1264 7289 0.0 -1 8 {} O 0.0 {0.433245 0.897213 0.996093} O4226 7290 0.0 -1 8 {} O 0.0 {0.541177 0.824052 0.731049} O4227 7291 0.0 -1 8 {} O 0.0 {0.312047 0.945395 0.574163} O4228 7292 0.0 -1 1 {} H 0.0 {0.483218 0.87809 0.545111} H1265 7293 0.0 -1 1 {} H 0.0 {0.553857 0.93871 0.139916} H1266 7294 0.0 -1 1 {} H 0.0 {0.541075 0.812763 0.594421} H1267 7295 0.0 -1 1 {} H 0.0 {0.537397 0.848335 0.651264} H1268 7296 0.0 -1 1 {} H 0.0 {0.459789 0.883162 0.0825288} H1269 7297 0.0 -1 1 {} H 0.0 {0.337519 0.942635 0.86848} H1270 7298 0.0 -1 8 {} O 0.0 {0.481561 0.887287 0.552488} O4229 7299 0.0 -1 8 {} O 0.0 {0.553147 0.934701 0.0982921} O4230 7300 0.0 -1 8 {} O 0.0 {0.720413 0.906028 0.0856102} O4231 7301 0.0 -1 8 {} O 0.0 {0.46258 0.882052 0.112612} O4232 7302 0.0 -1 8 {} O 0.0 {0.279245 0.930121 0.176387} O4233 7303 0.0 -1 1 {} H 0.0 {0.712697 0.925718 0.259996} H1271 7304 0.0 -1 1 {} H 0.0 {0.436583 0.786854 0.119716} H1272 7305 0.0 -1 1 {} H 0.0 {0.524166 0.923912 0.321743} H1273 7306 0.0 -1 1 {} H 0.0 {0.577386 0.818848 0.190204} H1274 7307 0.0 -1 1 {} H 0.0 {0.285766 0.919551 0.660828} H1275 7308 0.0 -1 1 {} H 0.0 {0.530975 0.863254 0.151782} H1276 7309 0.0 -1 1 {} H 0.0 {0.504776 0.847498 0.199779} H1277 7310 0.0 -1 1 {} H 0.0 {0.529887 0.924902 0.638364} H1278 7311 0.0 -1 1 {} H 0.0 {0.455635 0.874036 0.861949} H1279 7312 0.0 -1 1 {} H 0.0 {0.5405 0.834878 0.362762} H1280 7313 0.0 -1 1 {} H 0.0 {0.618138 0.894077 0.266061} H1281 7314 0.0 -1 8 {} O 0.0 {0.542391 0.820875 0.574486} O4234 7315 0.0 -1 8 {} O 0.0 {0.492307 0.934441 0.0976317} O4235 7316 0.0 -1 8 {} O 0.0 {0.452142 0.87224 0.883451} O4236 7317 0.0 -1 1 {} H 0.0 {0.468645 0.843136 0.692156} H1282 7318 0.0 -1 1 {} H 0.0 {0.550449 0.811314 0.481412} H1283 7319 0.0 -1 1 {} H 0.0 {0.603024 0.88028 0.38058} H1284 7320 0.0 -1 1 {} H 0.0 {0.513807 0.844463 0.872062} H1285 7321 0.0 -1 1 {} H 0.0 {0.466574 0.924451 0.571568} H1286 7322 0.0 -1 1 {} H 0.0 {0.512008 0.92562 0.687688} H1287 7323 0.0 -1 8 {} O 0.0 {0.375319 0.913674 0.140405} O4237 7324 0.0 -1 8 {} O 0.0 {0.55232 0.818673 0.498438} O4238 7325 0.0 -1 8 {} O 0.0 {0.43695 0.781686 0.158521} O4239 7326 0.0 -1 8 {} O 0.0 {0.462828 0.922431 0.579237} O4240 7327 0.0 -1 8 {} O 0.0 {0.442979 0.160279 0.185447} O4241 7328 0.0 -1 1 {} H 0.0 {0.511901 0.882737 0.0291506} H1288 7329 0.0 -1 1 {} H 0.0 {0.518949 0.86903 0.591031} H1289 7330 0.0 -1 1 {} H 0.0 {0.723774 0.916231 0.363662} H1290 7331 0.0 -1 1 {} H 0.0 {0.365492 0.93704 0.405041} H1291 7332 0.0 -1 1 {} H 0.0 {0.424086 0.93785 0.505177} H1292 7333 0.0 -1 1 {} H 0.0 {0.603816 0.914881 0.923427} H1293 7334 0.0 -1 1 {} H 0.0 {0.531821 0.103496 0.443245} H1294 7335 0.0 -1 1 {} H 0.0 {0.451605 0.940558 0.139544} H1295 7336 0.0 -1 1 {} H 0.0 {0.426633 0.889402 0.238492} H1296 7337 0.0 -1 1 {} H 0.0 {0.386521 0.905935 0.335695} H1297 7338 0.0 -1 1 {} H 0.0 {0.57839 0.867721 0.812245} H1298 7339 0.0 -1 8 {} O 0.0 {0.615434 0.897138 0.2234} O4242 7340 0.0 -1 8 {} O 0.0 {0.307951 0.922707 0.0028707} O4243 7341 0.0 -1 8 {} O 0.0 {0.425601 0.889784 0.418858} O4244 7342 0.0 -1 1 {} H 0.0 {0.113398 0.941522 0.836098} H1299 7343 0.0 -1 1 {} H 0.0 {0.519537 0.881658 0.627245} H1300 7344 0.0 -1 1 {} H 0.0 {0.630371 0.808513 0.442128} H1301 7345 0.0 -1 1 {} H 0.0 {0.500272 0.873713 0.989697} H1302 7346 0.0 -1 1 {} H 0.0 {0.520503 0.930401 0.104352} H1303 7347 0.0 -1 1 {} H 0.0 {0.767678 0.919963 0.288605} H1304 7348 0.0 -1 8 {} O 0.0 {0.113942 0.937052 0.792664} O4245 7349 0.0 -1 8 {} O 0.0 {0.519481 0.871849 0.635091} O4246 7350 0.0 -1 8 {} O 0.0 {0.501469 0.865267 0.00425855} O4247 7351 0.0 -1 8 {} O 0.0 {0.531385 0.861188 0.10708} O4248 7352 0.0 -1 8 {} O 0.0 {0.806889 0.907025 0.726336} O4249 7353 0.0 -1 1 {} H 0.0 {0.605475 0.846469 0.899013} H1305 7354 0.0 -1 1 {} H 0.0 {0.551198 0.873605 0.3369} H1306 7355 0.0 -1 1 {} H 0.0 {0.474857 0.864616 0.928462} H1307 7356 0.0 -1 1 {} H 0.0 {0.670862 0.915629 0.339263} H1308 7357 0.0 -1 1 {} H 0.0 {0.237298 0.102975 0.38954} H1309 7358 0.0 -1 1 {} H 0.0 {0.428317 0.894163 0.138348} H1310 7359 0.0 -1 1 {} H 0.0 {0.537309 0.834041 0.793548} H1311 7360 0.0 -1 1 {} H 0.0 {0.563171 0.856835 0.663164} H1312 7361 0.0 -1 1 {} H 0.0 {0.554262 0.86282 0.538248} H1313 7362 0.0 -1 1 {} H 0.0 {0.787144 0.92338 0.818336} H1314 7363 0.0 -1 1 {} H 0.0 {0.316288 0.928638 0.598365} H1315 7364 0.0 -1 8 {} O 0.0 {0.628561 0.81581 0.454495} O4250 7365 0.0 -1 8 {} O 0.0 {0.790085 0.927599 0.795894} O4251 7366 0.0 -1 8 {} O 0.0 {0.512534 0.874961 0.055207} O4252 7367 0.0 -1 1 {} H 0.0 {0.543946 0.845439 0.404865} H1316 7368 0.0 -1 1 {} H 0.0 {0.576274 0.939733 0.0753287} H1317 7369 0.0 -1 1 {} H 0.0 {0.294049 0.93813 0.559277} H1318 7370 0.0 -1 1 {} H 0.0 {0.221247 0.120197 0.1568} H1319 7371 0.0 -1 1 {} H 0.0 {0.369305 0.924769 0.693244} H1320 7372 0.0 -1 1 {} H 0.0 {0.232941 0.938356 0.246579} H1321 7373 0.0 -1 8 {} O 0.0 {0.450756 0.846768 0.879462} O4253 7374 0.0 -1 8 {} O 0.0 {0.573881 0.936657 0.110561} O4254 7375 0.0 -1 8 {} O 0.0 {0.240082 0.0955696 0.371442} O4255 7376 0.0 -1 8 {} O 0.0 {0.579651 0.847046 0.696451} O4256 7377 0.0 -1 8 {} O 0.0 {0.230676 0.945809 0.240673} O4257 7378 0.0 -1 1 {} H 0.0 {0.355697 0.932977 0.335101} H1322 7379 0.0 -1 1 {} H 0.0 {0.397574 0.913278 0.709715} H1323 7380 0.0 -1 1 {} H 0.0 {0.35714 0.917129 0.463158} H1324 7381 0.0 -1 1 {} H 0.0 {0.538119 0.853167 0.763943} H1325 7382 0.0 -1 1 {} H 0.0 {0.486857 0.856616 0.867158} H1326 7383 0.0 -1 1 {} H 0.0 {0.512551 0.939834 0.473689} H1327 7384 0.0 -1 1 {} H 0.0 {0.596479 0.938315 0.736846} H1328 7385 0.0 -1 1 {} H 0.0 {0.517396 0.864791 0.324328} H1329 7386 0.0 -1 1 {} H 0.0 {0.509195 0.918984 0.236247} H1330 7387 0.0 -1 1 {} H 0.0 {0.474755 0.822378 0.131475} H1331 7388 0.0 -1 1 {} H 0.0 {0.132862 0.943015 0.0687087} H1332 7389 0.0 -1 8 {} O 0.0 {0.273007 0.944644 0.527124} O4258 7390 0.0 -1 8 {} O 0.0 {0.528783 0.852453 0.346581} O4259 7391 0.0 -1 8 {} O 0.0 {0.640466 0.813842 0.64975} O4260 7392 0.0 -1 1 {} H 0.0 {0.309833 0.94677 0.429204} H1333 7393 0.0 -1 1 {} H 0.0 {0.609523 0.929573 0.669833} H1334 7394 0.0 -1 1 {} H 0.0 {0.154833 0.946078 0.185673} H1335 7395 0.0 -1 1 {} H 0.0 {0.529349 0.908107 0.569544} H1336 7396 0.0 -1 1 {} H 0.0 {0.49035 0.91151 0.864479} H1337 7397 0.0 -1 1 {} H 0.0 {0.500753 0.923705 0.0345852} H1338 7398 0.0 -1 8 {} O 0.0 {0.562464 0.844307 0.893573} O4261 7399 0.0 -1 8 {} O 0.0 {0.388429 0.90157 0.577406} O4262 7400 0.0 -1 8 {} O 0.0 {0.677415 0.929865 0.767655} O4263 7401 0.0 -1 8 {} O 0.0 {0.426755 0.894039 0.0920403} O4264 7402 0.0 -1 8 {} O 0.0 {0.520997 0.850961 0.73813} O4265 7403 0.0 -1 1 {} H 0.0 {0.442496 0.888649 0.601488} H1339 7404 0.0 -1 1 {} H 0.0 {0.583338 0.847767 0.038745} H1340 7405 0.0 -1 8 {} O 0.0 {0.153489 0.942739 0.228522} O4266 7406 0.0 -1 1 {} H 0.0 {0.579413 0.917994 0.709262} H1341 7407 0.0 -1 1 {} H 0.0 {0.427609 0.155412 0.259357} H1342 7408 0.0 -1 8 {} O 0.0 {0.310928 0.940723 0.916048} O4267 7409 0.0 -1 8 {} O 0.0 {0.419616 0.142965 0.350021} O4268 7410 0.0 -1 1 {} H 0.0 {0.542007 0.195576 0.375668} H1343 7411 0.0 -1 1 {} H 0.0 {0.544357 0.152613 0.813304} H1344 7412 0.0 -1 1 {} H 0.0 {0.610744 0.166824 0.411134} H1345 7413 0.0 -1 1 {} H 0.0 {0.499228 0.181667 0.775469} H1346 7414 0.0 -1 1 {} H 0.0 {0.479633 0.193698 0.568136} H1347 7415 0.0 -1 8 {} O 0.0 {0.6178 0.205268 0.0288038} O4269 7416 0.0 -1 1 {} H 0.0 {0.466876 0.160071 0.261032} H1348 7417 0.0 -1 1 {} H 0.0 {0.602318 0.164081 0.883752} H1349 7418 0.0 -1 1 {} H 0.0 {0.459644 0.0978601 0.0593633} H1350 7419 0.0 -1 1 {} H 0.0 {0.668556 0.139176 0.94003} H1351 7420 0.0 -1 8 {} O 0.0 {0.462386 0.0912061 0.0490685} O4270 7421 0.0 -1 1 {} H 0.0 {0.517796 0.113966 0.730024} H1352 7422 0.0 -1 1 {} H 0.0 {0.410188 0.146166 0.188203} H1353 7423 0.0 -1 1 {} H 0.0 {0.374418 0.135403 0.550058} H1354 7424 0.0 -1 1 {} H 0.0 {0.391728 0.12118 0.3643} H1355 7425 0.0 -1 8 {} O 0.0 {0.497215 0.121738 0.81559} O4271 7426 0.0 -1 1 {} H 0.0 {0.400162 0.187007 0.89023} H1356 7427 0.0 -1 1 {} H 0.0 {0.302227 0.103884 0.636819} H1357 7428 0.0 -1 1 {} H 0.0 {0.455777 0.162782 0.458791} H1358 7429 0.0 -1 1 {} H 0.0 {0.55478 0.128092 0.526373} H1359 7430 0.0 -1 8 {} O 0.0 {0.56051 0.169907 0.644406} O4272 7431 0.0 -1 1 {} H 0.0 {0.288971 0.144778 0.348742} H1360 7432 0.0 -1 1 {} H 0.0 {0.420998 0.0982609 0.906883} H1361 7433 0.0 -1 1 {} H 0.0 {0.576023 0.189099 0.0802321} H1362 7434 0.0 -1 1 {} H 0.0 {0.463151 0.103694 0.657678} H1363 7435 0.0 -1 8 {} O 0.0 {0.591773 0.125743 0.0353184} O4273 7436 0.0 -1 1 {} H 0.0 {0.328672 0.151851 0.374592} H1364 7437 0.0 -1 1 {} H 0.0 {0.282466 0.0960262 0.0102306} H1365 7438 0.0 -1 1 {} H 0.0 {0.380464 0.12948 0.800629} H1366 7439 0.0 -1 1 {} H 0.0 {0.35583 0.140384 0.87766} H1367 7440 0.0 -1 8 {} O 0.0 {0.354083 0.136785 0.838343} O4274 7441 0.0 -1 1 {} H 0.0 {0.317177 0.0929238 0.0475357} H1368 7442 0.0 -1 8 {} O 0.0 {0.301934 0.0980614 0.439291} O4275 7443 0.0 -1 1 {} H 0.0 {0.651225 0.162375 0.827099} H1369 7444 0.0 -1 1 {} H 0.0 {0.54207 0.138749 0.786743} H1370 7445 0.0 -1 1 {} H 0.0 {0.714039 0.876434 0.68356} H1371 7446 0.0 -1 1 {} H 0.0 {0.586599 0.242994 0.908711} H1372 7447 0.0 -1 8 {} O 0.0 {0.78283 0.119117 0.863074} O4276 7448 0.0 -1 8 {} O 0.0 {0.481941 0.185915 0.692637} O4277 7449 0.0 -1 1 {} H 0.0 {0.567479 0.125637 0.789486} H1373 7450 0.0 -1 1 {} H 0.0 {0.576647 0.136873 0.352253} H1374 7451 0.0 -1 1 {} H 0.0 {0.636121 0.124489 0.872484} H1375 7452 0.0 -1 1 {} H 0.0 {0.594974 0.15823 0.540715} H1376 7453 0.0 -1 1 {} H 0.0 {0.521781 0.106902 0.182144} H1377 7454 0.0 -1 1 {} H 0.0 {0.563522 0.985614 0.9494} H1378 7455 0.0 -1 1 {} H 0.0 {0.454324 0.124027 0.0902751} H1379 7456 0.0 -1 1 {} H 0.0 {0.361662 0.124953 0.730507} H1380 7457 0.0 -1 1 {} H 0.0 {0.564709 0.978806 0.956315} H1381 7458 0.0 -1 1 {} H 0.0 {0.512231 0.119931 0.36569} H1382 7459 0.0 -1 1 {} H 0.0 {0.362499 0.014073 0.20734} H1383 7460 0.0 -1 8 {} O 0.0 {0.453769 0.132468 0.117354} O4278 7461 0.0 -1 8 {} O 0.0 {0.614511 0.808999 0.802295} O4279 7462 0.0 -1 8 {} O 0.0 {0.558701 0.195839 0.654511} O4280 7463 0.0 -1 1 {} H 0.0 {0.34193 0.123788 0.604387} H1384 7464 0.0 -1 1 {} H 0.0 {0.610789 0.112247 0.805863} H1385 7465 0.0 -1 1 {} H 0.0 {0.37137 0.18736 0.545959} H1386 7466 0.0 -1 1 {} H 0.0 {0.609938 0.139028 0.775759} H1387 7467 0.0 -1 1 {} H 0.0 {0.363402 0.0204134 0.228523} H1388 7468 0.0 -1 1 {} H 0.0 {0.592152 0.224267 0.230368} H1389 7469 0.0 -1 8 {} O 0.0 {0.617555 0.190331 0.426905} O4281 7470 0.0 -1 8 {} O 0.0 {0.240396 0.130766 0.816727} O4282 7471 0.0 -1 8 {} O 0.0 {0.553611 0.153267 0.693062} O4283 7472 0.0 -1 8 {} O 0.0 {0.612187 0.167118 0.369412} O4284 7473 0.0 -1 8 {} O 0.0 {0.531468 0.121853 0.132806} O4285 7474 0.0 -1 1 {} H 0.0 {0.552899 0.147425 0.389081} H1390 7475 0.0 -1 1 {} H 0.0 {0.563912 0.103655 0.650697} H1391 7476 0.0 -1 1 {} H 0.0 {0.434816 0.142892 0.178351} H1392 7477 0.0 -1 1 {} H 0.0 {0.541584 0.104536 0.556619} H1393 7478 0.0 -1 1 {} H 0.0 {0.606569 0.214651 0.358251} H1394 7479 0.0 -1 1 {} H 0.0 {0.546194 0.137182 0.15041} H1395 7480 0.0 -1 1 {} H 0.0 {0.454967 0.15574 0.668491} H1396 7481 0.0 -1 1 {} H 0.0 {0.363268 0.143202 0.912002} H1397 7482 0.0 -1 1 {} H 0.0 {0.364753 0.160883 0.0582046} H1398 7483 0.0 -1 1 {} H 0.0 {0.555498 0.140103 0.298938} H1399 7484 0.0 -1 1 {} H 0.0 {0.621999 0.180091 0.909515} H1400 7485 0.0 -1 8 {} O 0.0 {0.41848 0.130861 0.713127} O4286 7486 0.0 -1 8 {} O 0.0 {0.572668 0.165957 0.684643} O4287 7487 0.0 -1 8 {} O 0.0 {0.30245 0.113395 0.629913} O4288 7488 0.0 -1 1 {} H 0.0 {0.514077 0.139914 0.716139} H1401 7489 0.0 -1 1 {} H 0.0 {0.465608 0.170008 0.208329} H1402 7490 0.0 -1 1 {} H 0.0 {0.389917 0.106174 0.737807} H1403 7491 0.0 -1 1 {} H 0.0 {0.556653 0.2128 0.210662} H1404 7492 0.0 -1 1 {} H 0.0 {0.499213 0.16267 0.0908884} H1405 7493 0.0 -1 1 {} H 0.0 {0.380694 0.099459 0.925864} H1406 7494 0.0 -1 8 {} O 0.0 {0.579765 0.130049 0.0104599} O4289 7495 0.0 -1 8 {} O 0.0 {0.493033 0.148593 0.769106} O4290 7496 0.0 -1 8 {} O 0.0 {0.363235 0.170684 0.293995} O4291 7497 0.0 -1 8 {} O 0.0 {0.510613 0.134081 0.226855} O4292 7498 0.0 -1 8 {} O 0.0 {0.541171 0.149291 0.788595} O4293 7499 0.0 -1 1 {} H 0.0 {0.470553 0.0954781 0.0321554} H1407 7500 0.0 -1 1 {} H 0.0 {0.457757 0.190213 0.66221} H1408 7501 0.0 -1 1 {} H 0.0 {0.329967 0.108258 0.426064} H1409 7502 0.0 -1 1 {} H 0.0 {0.484192 0.15762 0.218418} H1410 7503 0.0 -1 1 {} H 0.0 {0.398294 0.181915 0.324341} H1411 7504 0.0 -1 1 {} H 0.0 {0.3657 0.119576 0.481455} H1412 7505 0.0 -1 1 {} H 0.0 {0.472994 0.146935 0.145755} H1413 7506 0.0 -1 1 {} H 0.0 {0.366014 0.138716 0.416893} H1414 7507 0.0 -1 1 {} H 0.0 {0.566796 0.114861 0.266925} H1415 7508 0.0 -1 1 {} H 0.0 {0.416164 0.126345 0.24371} H1416 7509 0.0 -1 1 {} H 0.0 {0.502043 0.141837 0.935234} H1417 7510 0.0 -1 8 {} O 0.0 {0.422058 0.182242 0.518333} O4294 7511 0.0 -1 8 {} O 0.0 {0.42395 0.876353 0.300449} O4295 7512 0.0 -1 8 {} O 0.0 {0.361059 0.163445 0.0412434} O4296 7513 0.0 -1 1 {} H 0.0 {0.422775 0.134931 0.348482} H1418 7514 0.0 -1 1 {} H 0.0 {0.405026 0.174244 0.250971} H1419 7515 0.0 -1 1 {} H 0.0 {0.295153 0.134114 0.209168} H1420 7516 0.0 -1 1 {} H 0.0 {0.517269 0.184286 0.597734} H1421 7517 0.0 -1 1 {} H 0.0 {0.401478 0.151399 0.972751} H1422 7518 0.0 -1 1 {} H 0.0 {0.466708 0.139101 0.332297} H1423 7519 0.0 -1 8 {} O 0.0 {0.536782 0.1942 0.828621} O4297 7520 0.0 -1 8 {} O 0.0 {0.553457 0.212718 0.237815} O4298 7521 0.0 -1 8 {} O 0.0 {0.558318 0.205181 0.373312} O4299 7522 0.0 -1 8 {} O 0.0 {0.371828 0.144915 0.603403} O4300 7523 0.0 -1 8 {} O 0.0 {0.501138 0.154597 0.108361} O4301 7524 0.0 -1 1 {} H 0.0 {0.568312 0.223596 0.0287402} H1424 7525 0.0 -1 1 {} H 0.0 {0.351972 0.150519 0.190534} H1425 7526 0.0 -1 1 {} H 0.0 {0.341139 0.113643 0.170595} H1426 7527 0.0 -1 1 {} H 0.0 {0.493236 0.130967 0.00276656} H1427 7528 0.0 -1 1 {} H 0.0 {0.486932 0.858154 0.569662} H1428 7529 0.0 -1 1 {} H 0.0 {0.398064 0.11923 0.899699} H1429 7530 0.0 -1 1 {} H 0.0 {0.425433 0.11609 0.33811} H1430 7531 0.0 -1 1 {} H 0.0 {0.363378 0.16463 0.329876} H1431 7532 0.0 -1 1 {} H 0.0 {0.284003 0.110099 0.28703} H1432 7533 0.0 -1 1 {} H 0.0 {0.198288 0.108578 0.611188} H1433 7534 0.0 -1 1 {} H 0.0 {0.281374 0.123845 0.981719} H1434 7535 0.0 -1 8 {} O 0.0 {0.359885 0.118909 0.765003} O4302 7536 0.0 -1 8 {} O 0.0 {0.422442 0.152885 0.996249} O4303 7537 0.0 -1 8 {} O 0.0 {0.395452 0.134584 0.538098} O4304 7538 0.0 -1 1 {} H 0.0 {0.391883 0.0379739 0.351783} H1435 7539 0.0 -1 1 {} H 0.0 {0.295074 0.14102 0.62123} H1436 7540 0.0 -1 1 {} H 0.0 {0.393238 0.0310923 0.345398} H1437 7541 0.0 -1 1 {} H 0.0 {0.504468 0.101879 0.964408} H1438 7542 0.0 -1 1 {} H 0.0 {0.373198 0.126657 0.484064} H1439 7543 0.0 -1 1 {} H 0.0 {0.426203 0.937895 0.23006} H1440 7544 0.0 -1 8 {} O 0.0 {0.400109 0.176945 0.220329} O4305 7545 0.0 -1 8 {} O 0.0 {0.42311 0.93585 0.204652} O4306 7546 0.0 -1 8 {} O 0.0 {0.352754 0.145224 0.5727} O4307 7547 0.0 -1 8 {} O 0.0 {0.542905 0.122687 0.793987} O4308 7548 0.0 -1 8 {} O 0.0 {0.563019 0.164377 0.867331} O4309 7549 0.0 -1 1 {} H 0.0 {0.41694 0.139086 0.50729} H1441 7550 0.0 -1 1 {} H 0.0 {0.58109 0.104994 0.888872} H1442 7551 0.0 -1 1 {} H 0.0 {0.37565 0.0991559 0.389477} H1443 7552 0.0 -1 1 {} H 0.0 {0.222979 0.100714 0.23908} H1444 7553 0.0 -1 1 {} H 0.0 {0.509858 0.17841 0.953128} H1445 7554 0.0 -1 1 {} H 0.0 {0.421599 0.189074 0.554409} H1446 7555 0.0 -1 1 {} H 0.0 {0.385252 0.121637 0.91972} H1447 7556 0.0 -1 1 {} H 0.0 {0.366008 0.0950294 0.930331} H1448 7557 0.0 -1 1 {} H 0.0 {0.355716 0.0949845 0.371352} H1449 7558 0.0 -1 1 {} H 0.0 {0.439954 0.110239 0.238593} H1450 7559 0.0 -1 1 {} H 0.0 {0.316742 0.14812 0.0190003} H1451 7560 0.0 -1 8 {} O 0.0 {0.323238 0.119561 0.552184} O4310 7561 0.0 -1 8 {} O 0.0 {0.505543 0.920436 0.252225} O4311 7562 0.0 -1 8 {} O 0.0 {0.330485 0.112768 0.691088} O4312 7563 0.0 -1 1 {} H 0.0 {0.442961 0.103525 0.659221} H1452 7564 0.0 -1 1 {} H 0.0 {0.371807 0.148417 0.0881883} H1453 7565 0.0 -1 1 {} H 0.0 {0.243004 0.128879 0.780079} H1454 7566 0.0 -1 1 {} H 0.0 {0.464553 0.138108 0.237345} H1455 7567 0.0 -1 1 {} H 0.0 {0.227963 0.130974 0.116613} H1456 7568 0.0 -1 1 {} H 0.0 {0.546844 0.167529 0.0597332} H1457 7569 0.0 -1 8 {} O 0.0 {0.265784 0.108619 0.0897565} O4313 7570 0.0 -1 8 {} O 0.0 {0.434152 0.154875 0.738313} O4314 7571 0.0 -1 8 {} O 0.0 {0.034408 0.946523 0.19817} O4315 7572 0.0 -1 8 {} O 0.0 {0.278198 0.118977 0.133085} O4316 7573 0.0 -1 8 {} O 0.0 {0.29404 0.107995 0.0915277} O4317 7574 0.0 -1 1 {} H 0.0 {0.294587 0.117832 0.747039} H1458 7575 0.0 -1 1 {} H 0.0 {0.450142 0.916919 0.905565} H1459 7576 0.0 -1 1 {} H 0.0 {0.198056 0.0867251 0.330533} H1460 7577 0.0 -1 1 {} H 0.0 {0.386734 0.161947 0.320202} H1461 7578 0.0 -1 1 {} H 0.0 {0.859569 0.944197 0.446136} H1462 7579 0.0 -1 1 {} H 0.0 {0.372047 0.152197 0.0225558} H1463 7580 0.0 -1 1 {} H 0.0 {0.268891 0.134341 0.200781} H1464 7581 0.0 -1 1 {} H 0.0 {0.679106 0.13699 0.188622} H1465 7582 0.0 -1 1 {} H 0.0 {0.284645 0.101366 0.914354} H1466 7583 0.0 -1 1 {} H 0.0 {0.134339 0.101251 0.00689636} H1467 7584 0.0 -1 1 {} H 0.0 {0.338136 0.153396 0.41595} H1468 7585 0.0 -1 8 {} O 0.0 {0.536382 0.16058 0.337428} O4318 7586 0.0 -1 8 {} O 0.0 {0.34172 0.934454 0.194921} O4319 7587 0.0 -1 8 {} O 0.0 {0.383651 0.103719 0.952411} O4320 7588 0.0 -1 1 {} H 0.0 {0.265058 0.121826 0.157623} H1469 7589 0.0 -1 1 {} H 0.0 {0.43281 0.163027 0.759572} H1470 7590 0.0 -1 1 {} H 0.0 {0.646273 0.213825 0.0684849} H1471 7591 0.0 -1 1 {} H 0.0 {0.432035 0.138057 0.318744} H1472 7592 0.0 -1 1 {} H 0.0 {0.354774 0.116166 0.321721} H1473 7593 0.0 -1 1 {} H 0.0 {0.302027 0.0913321 0.335702} H1474 7594 0.0 -1 8 {} O 0.0 {0.221854 0.0938663 0.391021} O4321 7595 0.0 -1 8 {} O 0.0 {0.28335 0.0890003 0.717493} O4322 7596 0.0 -1 8 {} O 0.0 {0.281827 0.104618 0.942657} O4323 7597 0.0 -1 8 {} O 0.0 {0.199581 0.0928823 0.361919} O4324 7598 0.0 -1 8 {} O 0.0 {0.283692 0.0968961 0.0573849} O4325 7599 0.0 -1 1 {} H 0.0 {0.407455 0.939559 0.402131} H1475 7600 0.0 -1 1 {} H 0.0 {0.266214 0.112786 0.434839} H1476 7601 0.0 -1 1 {} H 0.0 {0.304393 0.135041 0.491803} H1477 7602 0.0 -1 8 {} O 0.0 {0.376606 0.182463 0.0012087} O4326 7603 0.0 -1 8 {} O 0.0 {0.853606 0.943892 0.473397} O4327 7604 0.0 -1 1 {} H 0.0 {0.305739 0.101466 0.433778} H1478 7605 0.0 -1 1 {} H 0.0 {0.184782 0.0962191 0.577615} H1479 7606 0.0 -1 8 {} O 0.0 {0.262833 0.10531 0.415373} O4328 7607 0.0 -1 8 {} O 0.0 {0.642649 0.150395 0.968222} O4329 7608 0.0 -1 1 {} H 0.0 {0.432963 0.943096 0.863044} H1480 7609 0.0 -1 1 {} H 0.0 {0.615302 0.910082 0.597543} H1481 7610 0.0 -1 1 {} H 0.0 {0.284153 0.929183 0.566495} H1482 7611 0.0 -1 1 {} H 0.0 {0.530856 0.160797 0.966968} H1483 7612 0.0 -1 8 {} O 0.0 {0.532271 0.944212 0.592814} O4330 7613 0.0 -1 8 {} O 0.0 {0.545322 0.792926 0.4506} O4331 7614 0.0 -1 1 {} H 0.0 {0.608786 0.888719 0.779982} H1484 7615 0.0 -1 1 {} H 0.0 {0.528596 0.94398 0.573971} H1485 7616 0.0 -1 1 {} H 0.0 {0.605345 0.832321 0.852987} H1486 7617 0.0 -1 1 {} H 0.0 {0.272642 0.941068 0.88174} H1487 7618 0.0 -1 1 {} H 0.0 {0.42695 0.885379 0.672806} H1488 7619 0.0 -1 1 {} H 0.0 {0.641162 0.902981 0.83631} H1489 7620 0.0 -1 1 {} H 0.0 {0.537717 0.832398 0.96647} H1490 7621 0.0 -1 1 {} H 0.0 {0.54192 0.820726 0.0755154} H1491 7622 0.0 -1 1 {} H 0.0 {0.395931 0.916586 0.0606422} H1492 7623 0.0 -1 1 {} H 0.0 {0.537791 0.82021 0.0213074} H1493 7624 0.0 -1 1 {} H 0.0 {0.580255 0.124295 0.973422} H1494 7625 0.0 -1 8 {} O 0.0 {0.524616 0.839534 0.976554} O4332 7626 0.0 -1 8 {} O 0.0 {0.538117 0.818697 0.0678024} O4333 7627 0.0 -1 8 {} O 0.0 {0.298597 0.919662 0.637413} O4334 7628 0.0 -1 1 {} H 0.0 {0.711122 0.148105 0.33029} H1495 7629 0.0 -1 1 {} H 0.0 {0.77355 0.910098 0.669915} H1496 7630 0.0 -1 1 {} H 0.0 {0.520835 0.858324 0.707376} H1497 7631 0.0 -1 1 {} H 0.0 {0.291377 0.921476 0.689371} H1498 7632 0.0 -1 1 {} H 0.0 {0.0136316 0.944148 0.749202} H1499 7633 0.0 -1 1 {} H 0.0 {0.50384 0.193352 0.595569} H1500 7634 0.0 -1 8 {} O 0.0 {0.394024 0.907555 0.468741} O4335 7635 0.0 -1 8 {} O 0.0 {0.397224 0.178241 0.700588} O4336 7636 0.0 -1 8 {} O 0.0 {0.506575 0.841176 0.226497} O4337 7637 0.0 -1 8 {} O 0.0 {0.325132 0.924431 0.328756} O4338 7638 0.0 -1 8 {} O 0.0 {0.616972 0.815289 0.765221} O4339 7639 0.0 -1 1 {} H 0.0 {0.481263 0.108236 0.909996} H1501 7640 0.0 -1 1 {} H 0.0 {0.404665 0.888267 0.898121} H1502 7641 0.0 -1 1 {} H 0.0 {0.556298 0.855939 0.600314} H1503 7642 0.0 -1 1 {} H 0.0 {0.482984 0.927267 0.926629} H1504 7643 0.0 -1 1 {} H 0.0 {0.289628 0.941345 0.926077} H1505 7644 0.0 -1 1 {} H 0.0 {0.522671 0.935915 0.494213} H1506 7645 0.0 -1 1 {} H 0.0 {0.353296 0.931523 0.524037} H1507 7646 0.0 -1 1 {} H 0.0 {0.436953 0.926749 0.93901} H1508 7647 0.0 -1 1 {} H 0.0 {0.301826 0.943324 0.115324} H1509 7648 0.0 -1 1 {} H 0.0 {0.322283 0.923053 0.589292} H1510 7649 0.0 -1 1 {} H 0.0 {0.321225 0.937817 0.160257} H1511 7650 0.0 -1 8 {} O 0.0 {0.356803 0.929188 0.512626} O4340 7651 0.0 -1 8 {} O 0.0 {0.454644 0.945 0.905831} O4341 7652 0.0 -1 8 {} O 0.0 {0.57306 0.931426 0.77756} O4342 7653 0.0 -1 1 {} H 0.0 {0.480333 0.16803 0.0260632} H1512 7654 0.0 -1 1 {} H 0.0 {0.947429 0.932114 0.409223} H1513 7655 0.0 -1 1 {} H 0.0 {0.456876 0.158542 0.946859} H1514 7656 0.0 -1 1 {} H 0.0 {0.569943 0.936138 0.758813} H1515 7657 0.0 -1 1 {} H 0.0 {0.461994 0.886751 0.389112} H1516 7658 0.0 -1 1 {} H 0.0 {0.395862 0.141754 0.506714} H1517 7659 0.0 -1 8 {} O 0.0 {0.456524 0.917565 0.281037} O4343 7660 0.0 -1 8 {} O 0.0 {0.526422 0.101097 0.613349} O4344 7661 0.0 -1 8 {} O 0.0 {0.373687 0.128436 0.168679} O4345 7662 0.0 -1 8 {} O 0.0 {0.572413 0.839863 0.588315} O4346 7663 0.0 -1 8 {} O 0.0 {0.396426 0.125389 0.869431} O4347 7664 0.0 -1 1 {} H 0.0 {0.398914 0.0993691 0.62552} H1518 7665 0.0 -1 1 {} H 0.0 {0.4193 0.199946 0.645684} H1519 7666 0.0 -1 1 {} H 0.0 {0.466108 0.940858 0.215645} H1520 7667 0.0 -1 1 {} H 0.0 {0.456273 0.875276 0.556284} H1521 7668 0.0 -1 1 {} H 0.0 {0.626867 0.877436 0.312267} H1522 7669 0.0 -1 1 {} H 0.0 {0.539858 0.172478 0.201733} H1523 7670 0.0 -1 1 {} H 0.0 {0.632109 0.930745 0.0296255} H1524 7671 0.0 -1 1 {} H 0.0 {0.30398 0.933358 0.879386} H1525 7672 0.0 -1 1 {} H 0.0 {0.452071 0.862541 0.885511} H1526 7673 0.0 -1 1 {} H 0.0 {0.662474 0.876645 0.0258435} H1527 7674 0.0 -1 1 {} H 0.0 {0.264003 0.0984739 0.0159021} H1528 7675 0.0 -1 8 {} O 0.0 {0.634805 0.924277 0.0449096} O4348 7676 0.0 -1 8 {} O 0.0 {0.287542 0.920441 0.699914} O4349 7677 0.0 -1 8 {} O 0.0 {0.605349 0.835881 0.900984} O4350 7678 0.0 -1 1 {} H 0.0 {0.492224 0.833608 0.855855} H1529 7679 0.0 -1 1 {} H 0.0 {0.60112 0.832407 0.919385} H1530 7680 0.0 -1 1 {} H 0.0 {0.546535 0.938277 0.537062} H1531 7681 0.0 -1 1 {} H 0.0 {0.455338 0.934835 0.748988} H1532 7682 0.0 -1 1 {} H 0.0 {0.625059 0.815895 0.810604} H1533 7683 0.0 -1 1 {} H 0.0 {0.623046 0.836242 0.0449897} H1534 7684 0.0 -1 8 {} O 0.0 {0.448092 0.170611 0.662406} O4351 7685 0.0 -1 8 {} O 0.0 {0.461798 0.880691 0.353162} O4352 7686 0.0 -1 8 {} O 0.0 {0.543026 0.933634 0.524209} O4353 7687 0.0 -1 8 {} O 0.0 {0.471803 0.932359 0.0945385} O4354 7688 0.0 -1 8 {} O 0.0 {0.414036 0.125302 0.539773} O4355 7689 0.0 -1 1 {} H 0.0 {0.381072 0.127395 0.136525} H1535 7690 0.0 -1 1 {} H 0.0 {0.451835 0.881301 0.228739} H1536 7691 0.0 -1 1 {} H 0.0 {0.590891 0.933319 0.713359} H1537 7692 0.0 -1 1 {} H 0.0 {0.608331 0.925492 0.0871105} H1538 7693 0.0 -1 1 {} H 0.0 {0.592375 0.909167 0.285393} H1539 7694 0.0 -1 1 {} H 0.0 {0.513144 0.922614 0.0420281} H1540 7695 0.0 -1 1 {} H 0.0 {0.429997 0.125389 0.0194622} H1541 7696 0.0 -1 1 {} H 0.0 {0.555856 0.911175 0.29647} H1542 7697 0.0 -1 1 {} H 0.0 {0.402499 0.89564 0.296848} H1543 7698 0.0 -1 1 {} H 0.0 {0.393644 0.906472 0.259487} H1544 7699 0.0 -1 1 {} H 0.0 {0.536022 0.859788 0.22877} H1545 7700 0.0 -1 8 {} O 0.0 {0.378648 0.160578 0.336847} O4356 7701 0.0 -1 8 {} O 0.0 {0.527042 0.162902 0.758701} O4357 7702 0.0 -1 8 {} O 0.0 {0.656572 0.850799 0.656003} O4358 7703 0.0 -1 1 {} H 0.0 {0.451302 0.112131 0.700424} H1546 7704 0.0 -1 1 {} H 0.0 {0.656873 0.848595 0.610387} H1547 7705 0.0 -1 1 {} H 0.0 {0.385836 0.946208 0.0837162} H1548 7706 0.0 -1 1 {} H 0.0 {0.657844 0.843075 0.684914} H1549 7707 0.0 -1 1 {} H 0.0 {0.528287 0.138823 0.452237} H1550 7708 0.0 -1 1 {} H 0.0 {0.437296 0.152378 0.762115} H1551 7709 0.0 -1 8 {} O 0.0 {0.606757 0.917073 0.0747949} O4359 7710 0.0 -1 8 {} O 0.0 {0.628789 0.817152 0.815963} O4360 7711 0.0 -1 8 {} O 0.0 {0.369561 0.951414 0.219553} O4361 7712 0.0 -1 8 {} O 0.0 {0.59939 0.909609 0.523053} O4362 7713 0.0 -1 8 {} O 0.0 {0.509964 0.148689 0.939677} O4363 7714 0.0 -1 1 {} H 0.0 {0.44977 0.10105 0.373391} H1552 7715 0.0 -1 1 {} H 0.0 {0.324337 0.93844 0.223239} H1553 7716 0.0 -1 1 {} H 0.0 {0.489211 0.895022 0.972302} H1554 7717 0.0 -1 1 {} H 0.0 {0.586072 0.894794 0.975237} H1555 7718 0.0 -1 1 {} H 0.0 {0.469914 0.916074 0.031003} H1556 7719 0.0 -1 1 {} H 0.0 {0.363099 0.910423 0.28657} H1557 7720 0.0 -1 1 {} H 0.0 {0.435079 0.880371 0.418812} H1558 7721 0.0 -1 1 {} H 0.0 {0.534651 0.865532 0.0908682} H1559 7722 0.0 -1 1 {} H 0.0 {0.481468 0.909072 0.737441} H1560 7723 0.0 -1 1 {} H 0.0 {0.513669 0.877507 0.0972267} H1561 7724 0.0 -1 1 {} H 0.0 {0.4897 0.867037 0.206044} H1562 7725 0.0 -1 8 {} O 0.0 {0.373706 0.92647 0.266204} O4364 7726 0.0 -1 8 {} O 0.0 {0.53655 0.908303 0.944794} O4365 7727 0.0 -1 8 {} O 0.0 {0.651247 0.823569 0.143161} O4366 7728 0.0 -1 1 {} H 0.0 {0.584051 0.151452 0.60395} H1563 7729 0.0 -1 1 {} H 0.0 {0.411892 0.924138 0.845823} H1564 7730 0.0 -1 1 {} H 0.0 {0.252539 0.943496 0.908092} H1565 7731 0.0 -1 1 {} H 0.0 {0.827897 0.930402 0.82605} H1566 7732 0.0 -1 1 {} H 0.0 {0.473635 0.169206 0.0207539} H1567 7733 0.0 -1 1 {} H 0.0 {0.443855 0.12536 0.620463} H1568 7734 0.0 -1 8 {} O 0.0 {0.308846 0.134333 0.929324} O4367 7735 0.0 -1 8 {} O 0.0 {0.50692 0.136663 0.671325} O4368 7736 0.0 -1 8 {} O 0.0 {0.330734 0.953019 0.888941} O4369 7737 0.0 -1 8 {} O 0.0 {0.469891 0.906692 0.0202755} O4370 7738 0.0 -1 8 {} O 0.0 {0.413821 0.119771 0.940315} O4371 7739 0.0 -1 1 {} H 0.0 {0.335243 0.135178 0.259272} H1569 7740 0.0 -1 1 {} H 0.0 {0.405077 0.915945 0.0353089} H1570 7741 0.0 -1 1 {} H 0.0 {0.519968 0.892583 0.808693} H1571 7742 0.0 -1 1 {} H 0.0 {0.287538 0.119179 0.535489} H1572 7743 0.0 -1 1 {} H 0.0 {0.426813 0.893802 0.941596} H1573 7744 0.0 -1 1 {} H 0.0 {0.48411 0.907609 0.191792} H1574 7745 0.0 -1 1 {} H 0.0 {0.378369 0.917437 0.775144} H1575 7746 0.0 -1 1 {} H 0.0 {0.386703 0.909912 0.574447} H1576 7747 0.0 -1 1 {} H 0.0 {0.573087 0.820953 0.790968} H1577 7748 0.0 -1 1 {} H 0.0 {0.599625 0.811568 0.0657907} H1578 7749 0.0 -1 1 {} H 0.0 {0.353514 0.0957571 0.303854} H1579 7750 0.0 -1 8 {} O 0.0 {0.400368 0.919289 0.711702} O4372 7751 0.0 -1 8 {} O 0.0 {0.590753 0.891014 0.49508} O4373 7752 0.0 -1 8 {} O 0.0 {0.548401 0.871479 0.897964} O4374 7753 0.0 -1 1 {} H 0.0 {0.344361 0.941292 0.204407} H1580 7754 0.0 -1 1 {} H 0.0 {0.643889 0.798327 0.041989} H1581 7755 0.0 -1 1 {} H 0.0 {0.492801 0.146726 0.725671} H1582 7756 0.0 -1 1 {} H 0.0 {0.554441 0.91518 0.0724886} H1583 7757 0.0 -1 1 {} H 0.0 {0.514687 0.925754 0.445424} H1584 7758 0.0 -1 1 {} H 0.0 {0.275783 0.948571 0.496239} H1585 7759 0.0 -1 8 {} O 0.0 {0.495727 0.137291 0.29344} O4375 7760 0.0 -1 8 {} O 0.0 {0.513121 0.93504 0.432658} O4376 7761 0.0 -1 8 {} O 0.0 {0.323045 0.161938 0.230565} O4377 7762 0.0 -1 8 {} O 0.0 {0.424106 0.893995 0.907456} O4378 7763 0.0 -1 8 {} O 0.0 {0.335364 0.158893 0.391527} O4379 7764 0.0 -1 1 {} H 0.0 {0.419937 0.0979162 0.616856} H1586 7765 0.0 -1 1 {} H 0.0 {0.679348 0.936202 0.741833} H1587 7766 0.0 -1 1 {} H 0.0 {0.41289 0.898889 0.630291} H1588 7767 0.0 -1 8 {} O 0.0 {0.398194 0.918296 0.983746} O4380 7768 0.0 -1 8 {} O 0.0 {0.48414 0.861475 0.540466} O4381 7769 0.0 -1 1 {} H 0.0 {0.895657 0.943864 0.404321} H1589 7770 0.0 -1 1 {} H 0.0 {0.209323 0.101735 0.275278} H1590 7771 0.0 -1 8 {} O 0.0 {0.476088 0.924807 0.596977} O4382 7772 0.0 -1 1 {} H 0.0 {0.627725 0.84723 0.113267} H1591 7773 0.0 -1 8 {} O 0.0 {0.660888 0.832873 0.403079} O4383 7774 0.0 -1 1 {} H 0.0 {0.46154 0.853371 0.7713} H1592 7775 0.0 -1 1 {} H 0.0 {0.62812 0.848624 0.654846} H1593 7776 0.0 -1 8 {} O 0.0 {0.462359 0.85028 0.729103} O4384 7777 0.0 -1 8 {} O 0.0 {0.630254 0.845512 0.797367} O4385 7778 0.0 -1 1 {} H 0.0 {0.593204 0.793516 0.178899} H1594 7779 0.0 -1 1 {} H 0.0 {0.483881 0.902541 0.526967} H1595 7780 0.0 -1 8 {} O 0.0 {0.596058 0.798877 0.192601} O4386 7781 0.0 -1 8 {} O 0.0 {0.491541 0.916387 0.671547} O4387 7782 0.0 -1 1 {} H 0.0 {0.538304 0.818031 0.3089} H1596 7783 0.0 -1 1 {} H 0.0 {0.55943 0.917697 0.456007} H1597 7784 0.0 -1 8 {} O 0.0 {0.67764 0.901246 0.815591} O4388 7785 0.0 -1 8 {} O 0.0 {0.562598 0.921438 0.433731} O4389 7786 0.0 -1 1 {} H 0.0 {0.555657 0.896634 0.314745} H1598 7787 0.0 -1 1 {} H 0.0 {0.575241 0.811827 0.0350051} H1599 7788 0.0 -1 8 {} O 0.0 {0.395414 0.907758 0.846775} O4390 7789 0.0 -1 8 {} O 0.0 {0.571874 0.813577 0.054575} O4391 7790 0.0 -1 1 {} H 0.0 {0.576754 0.87663 0.440098} H1600 7791 0.0 -1 1 {} H 0.0 {0.476861 0.921673 0.823101} H1601 7792 0.0 -1 8 {} O 0.0 {0.62183 0.922349 0.0493323} O4392 7793 0.0 -1 8 {} O 0.0 {0.365521 0.907928 0.323392} O4393 7794 0.0 -1 1 {} H 0.0 {0.349689 0.929035 0.330565} H1602 7795 0.0 -1 1 {} H 0.0 {0.577498 0.846107 0.296253} H1603 7796 0.0 -1 8 {} O 0.0 {0.353389 0.925066 0.329942} O4394 7797 0.0 -1 8 {} O 0.0 {0.57611 0.849507 0.255349} O4395 7798 0.0 -1 1 {} H 0.0 {0.494654 0.940904 0.0805861} H1604 7799 0.0 -1 8 {} O 0.0 {0.439722 0.892577 0.578711} O4396 7800 0.0 -1 1 {} H 0.0 {0.708683 0.0999407 0.0637091} H1605 7801 0.0 -1 8 {} O 0.0 {0.705146 0.0963653 0.0854984} O4397 7802 0.0 -1 1 {} H 0.0 {0.694816 0.130944 0.588897} H1606 7803 0.0 -1 1 {} H 0.0 {0.854126 0.0906806 0.743484} H1607 7804 0.0 -1 8 {} O 0.0 {0.663251 0.0934192 0.0959371} O4398 7805 0.0 -1 8 {} O 0.0 {0.763511 0.915747 0.964742} O4399 7806 0.0 -1 1 {} H 0.0 {0.595928 0.13908 0.997625} H1608 7807 0.0 -1 1 {} H 0.0 {0.814188 0.099919 0.783868} H1609 7808 0.0 -1 8 {} O 0.0 {0.658042 0.16221 0.495346} O4400 7809 0.0 -1 8 {} O 0.0 {0.763636 0.120115 0.834357} O4401 7810 0.0 -1 1 {} H 0.0 {0.605955 0.0945489 0.0406433} H1610 7811 0.0 -1 1 {} H 0.0 {0.703166 0.142778 0.943548} H1611 7812 0.0 -1 8 {} O 0.0 {0.603768 0.0949672 0.0823154} O4402 7813 0.0 -1 8 {} O 0.0 {0.714541 0.136588 0.294398} O4403 7814 0.0 -1 1 {} H 0.0 {0.593416 0.150042 0.631813} H1612 7815 0.0 -1 1 {} H 0.0 {0.780966 0.131645 0.984272} H1613 7816 0.0 -1 8 {} O 0.0 {0.519842 0.174133 0.0147769} O4404 7817 0.0 -1 8 {} O 0.0 {0.64497 0.104644 0.54625} O4405 7818 0.0 -1 1 {} H 0.0 {0.388694 0.194075 0.585516} H1614 7819 0.0 -1 1 {} H 0.0 {0.635132 0.141901 0.816707} H1615 7820 0.0 -1 8 {} O 0.0 {0.544059 0.0963321 0.0694115} O4406 7821 0.0 -1 8 {} O 0.0 {0.632168 0.155325 0.268788} O4407 7822 0.0 -1 1 {} H 0.0 {0.525071 0.0969635 0.0270705} H1616 7823 0.0 -1 1 {} H 0.0 {0.574081 0.165585 0.0429318} H1617 7824 0.0 -1 8 {} O 0.0 {0.523597 0.0958713 0.0723924} O4408 7825 0.0 -1 8 {} O 0.0 {0.545018 0.19413 0.732844} O4409 7826 0.0 -1 1 {} H 0.0 {0.672005 0.11874 0.744102} H1618 7827 0.0 -1 8 {} O 0.0 {0.503142 0.152784 0.240078} O4410 7828 0.0 -1 1 {} H 0.0 {0.742523 0.101691 0.0853507} H1619 7829 0.0 -1 1 {} H 0.0 {0.491513 0.922904 0.710311} H1620 7830 0.0 -1 1 {} H 0.0 {0.738667 0.108552 0.75986} H1621 7831 0.0 -1 1 {} H 0.0 {0.761667 0.920619 0.93114} H1622 7832 0.0 -1 8 {} O 0.0 {0.797405 0.112174 0.0788416} O4411 7833 0.0 -1 1 {} H 0.0 {0.763793 0.0956395 0.72121} H1623 7834 0.0 -1 1 {} H 0.0 {0.846791 0.0931674 0.710159} H1624 7835 0.0 -1 8 {} O 0.0 {0.806383 0.101947 0.412926} O4412 7836 0.0 -1 8 {} O 0.0 {0.745569 0.0956972 0.0760762} O4413 7837 0.0 -1 1 {} H 0.0 {0.782219 0.105671 0.054662} H1625 7838 0.0 -1 1 {} H 0.0 {0.727448 0.0933963 0.0179669} H1626 7839 0.0 -1 1 {} H 0.0 {0.812169 0.0854186 0.652442} H1627 7840 0.0 -1 1 {} H 0.0 {0.747092 0.10295 0.262467} H1628 7841 0.0 -1 1 {} H 0.0 {0.654023 0.159374 0.970061} H1629 7842 0.0 -1 1 {} H 0.0 {0.727026 0.113969 0.880793} H1630 7843 0.0 -1 1 {} H 0.0 {0.668043 0.110452 0.120624} H1631 7844 0.0 -1 1 {} H 0.0 {0.815636 0.110807 0.0408329} H1632 7845 0.0 -1 1 {} H 0.0 {0.760364 0.137938 0.339654} H1633 7846 0.0 -1 1 {} H 0.0 {0.702785 0.120741 0.215573} H1634 7847 0.0 -1 1 {} H 0.0 {0.687904 0.106904 0.83631} H1635 7848 0.0 -1 8 {} O 0.0 {0.766907 0.0886673 0.721154} O4414 7849 0.0 -1 8 {} O 0.0 {0.714509 0.104327 0.0314075} O4415 7850 0.0 -1 8 {} O 0.0 {0.803206 0.126509 0.182183} O4416 7851 0.0 -1 1 {} H 0.0 {0.747088 0.100054 0.98449} H1636 7852 0.0 -1 1 {} H 0.0 {0.658685 0.171383 0.764941} H1637 7853 0.0 -1 1 {} H 0.0 {0.567364 0.936219 0.909049} H1638 7854 0.0 -1 1 {} H 0.0 {0.734774 0.1013 0.324261} H1639 7855 0.0 -1 1 {} H 0.0 {0.468283 0.834953 0.00545225} H1640 7856 0.0 -1 1 {} H 0.0 {0.800814 0.117954 0.692189} H1641 7857 0.0 -1 8 {} O 0.0 {0.726639 0.0945782 0.0660787} O4417 7858 0.0 -1 8 {} O 0.0 {0.692148 0.123294 0.13995} O4418 7859 0.0 -1 8 {} O 0.0 {0.738692 0.132845 0.195139} O4419 7860 0.0 -1 8 {} O 0.0 {0.649242 0.821875 0.526428} O4420 7861 0.0 -1 8 {} O 0.0 {0.726339 0.0953064 0.417645} O4421 7862 0.0 -1 1 {} H 0.0 {0.714365 0.141742 0.742297} H1642 7863 0.0 -1 1 {} H 0.0 {0.656376 0.126372 0.465653} H1643 7864 0.0 -1 1 {} H 0.0 {0.784286 0.92271 0.501573} H1644 7865 0.0 -1 1 {} H 0.0 {0.721274 0.128217 0.493984} H1645 7866 0.0 -1 1 {} H 0.0 {0.753277 0.113939 0.441082} H1646 7867 0.0 -1 1 {} H 0.0 {0.651649 0.105022 0.748894} H1647 7868 0.0 -1 1 {} H 0.0 {0.695466 0.171852 0.54808} H1648 7869 0.0 -1 1 {} H 0.0 {0.601571 0.917573 0.5279} H1649 7870 0.0 -1 1 {} H 0.0 {0.631781 0.816701 0.178109} H1650 7871 0.0 -1 1 {} H 0.0 {0.623928 0.144254 0.72051} H1651 7872 0.0 -1 1 {} H 0.0 {0.567318 0.137713 0.492713} H1652 7873 0.0 -1 8 {} O 0.0 {0.681765 0.106914 0.980879} O4422 7874 0.0 -1 8 {} O 0.0 {0.695962 0.162657 0.553547} O4423 7875 0.0 -1 8 {} O 0.0 {0.603626 0.871807 0.356389} O4424 7876 0.0 -1 1 {} H 0.0 {0.774773 0.111418 0.461294} H1653 7877 0.0 -1 1 {} H 0.0 {0.698309 0.135037 0.465251} H1654 7878 0.0 -1 1 {} H 0.0 {0.693685 0.0992245 0.999493} H1655 7879 0.0 -1 1 {} H 0.0 {0.560819 0.855807 0.448628} H1656 7880 0.0 -1 1 {} H 0.0 {0.540243 0.939254 0.538954} H1657 7881 0.0 -1 1 {} H 0.0 {0.7237 0.123745 0.0047355} H1658 7882 0.0 -1 8 {} O 0.0 {0.685076 0.124033 0.463136} O4425 7883 0.0 -1 8 {} O 0.0 {0.60109 0.194193 0.2653} O4426 7884 0.0 -1 8 {} O 0.0 {0.452557 0.111264 0.744166} O4427 7885 0.0 -1 8 {} O 0.0 {0.491707 0.905529 0.833932} O4428 7886 0.0 -1 8 {} O 0.0 {0.633057 0.179962 0.326495} O4429 7887 0.0 -1 1 {} H 0.0 {0.67193 0.155977 0.946595} H1659 7888 0.0 -1 1 {} H 0.0 {0.614609 0.131358 0.255601} H1660 7889 0.0 -1 1 {} H 0.0 {0.773147 0.931708 0.281243} H1661 7890 0.0 -1 1 {} H 0.0 {0.629246 0.153048 0.569194} H1662 7891 0.0 -1 1 {} H 0.0 {0.519709 0.16267 0.623071} H1663 7892 0.0 -1 1 {} H 0.0 {0.627223 0.156803 0.690249} H1664 7893 0.0 -1 1 {} H 0.0 {0.621264 0.102003 0.2259} H1665 7894 0.0 -1 1 {} H 0.0 {0.562645 0.130452 0.00688247} H1666 7895 0.0 -1 1 {} H 0.0 {0.69354 0.127166 0.947538} H1667 7896 0.0 -1 1 {} H 0.0 {0.595612 0.170405 0.375721} H1668 7897 0.0 -1 1 {} H 0.0 {0.657423 0.105602 0.776559} H1669 7898 0.0 -1 8 {} O 0.0 {0.627932 0.136832 0.500279} O4430 7899 0.0 -1 8 {} O 0.0 {0.626931 0.121478 0.0772578} O4431 7900 0.0 -1 8 {} O 0.0 {0.592228 0.140089 0.284753} O4432 7901 0.0 -1 1 {} H 0.0 {0.626697 0.891658 0.99945} H1670 7902 0.0 -1 1 {} H 0.0 {0.512113 0.147301 0.989443} H1671 7903 0.0 -1 1 {} H 0.0 {0.692329 0.92475 0.295664} H1672 7904 0.0 -1 1 {} H 0.0 {0.638645 0.865553 0.951743} H1673 7905 0.0 -1 1 {} H 0.0 {0.624651 0.809916 0.624813} H1674 7906 0.0 -1 1 {} H 0.0 {0.66288 0.133638 0.188674} H1675 7907 0.0 -1 8 {} O 0.0 {0.571512 0.190347 0.249756} O4433 7908 0.0 -1 8 {} O 0.0 {0.56526 0.863126 0.743557} O4434 7909 0.0 -1 8 {} O 0.0 {0.661617 0.15952 0.0339571} O4435 7910 0.0 -1 8 {} O 0.0 {0.64215 0.866176 0.929503} O4436 7911 0.0 -1 8 {} O 0.0 {0.752737 0.121614 0.468673} O4437 7912 0.0 -1 1 {} H 0.0 {0.608529 0.198325 0.895543} H1676 7913 0.0 -1 1 {} H 0.0 {0.654224 0.131605 0.795281} H1677 7914 0.0 -1 1 {} H 0.0 {0.62928 0.89938 0.789899} H1678 7915 0.0 -1 1 {} H 0.0 {0.640488 0.157596 0.00311481} H1679 7916 0.0 -1 1 {} H 0.0 {0.633887 0.148765 0.298364} H1680 7917 0.0 -1 1 {} H 0.0 {0.679467 0.149091 0.0347412} H1681 7918 0.0 -1 1 {} H 0.0 {0.723925 0.0923151 0.929316} H1682 7919 0.0 -1 1 {} H 0.0 {0.440728 0.845011 0.710665} H1683 7920 0.0 -1 1 {} H 0.0 {0.57298 0.851262 0.0837617} H1684 7921 0.0 -1 1 {} H 0.0 {0.675655 0.117489 0.850648} H1685 7922 0.0 -1 1 {} H 0.0 {0.655469 0.180331 0.453431} H1686 7923 0.0 -1 8 {} O 0.0 {0.729815 0.141332 0.924841} O4438 7924 0.0 -1 8 {} O 0.0 {0.717396 0.125372 0.768956} O4439 7925 0.0 -1 8 {} O 0.0 {0.643462 0.880653 0.729509} O4440 7926 0.0 -1 1 {} H 0.0 {0.628752 0.890394 0.0705291} H1687 7927 0.0 -1 1 {} H 0.0 {0.420585 0.170469 0.820513} H1688 7928 0.0 -1 1 {} H 0.0 {0.434935 0.908372 0.244207} H1689 7929 0.0 -1 1 {} H 0.0 {0.456578 0.846348 0.266407} H1690 7930 0.0 -1 1 {} H 0.0 {0.559849 0.941487 0.739163} H1691 7931 0.0 -1 1 {} H 0.0 {0.749029 0.11966 0.643469} H1692 7932 0.0 -1 8 {} O 0.0 {0.626669 0.886217 0.0386547} O4441 7933 0.0 -1 8 {} O 0.0 {0.624997 0.816523 0.590832} O4442 7934 0.0 -1 8 {} O 0.0 {0.476696 0.923403 0.868618} O4443 7935 0.0 -1 8 {} O 0.0 {0.456111 0.843395 0.221914} O4444 7936 0.0 -1 8 {} O 0.0 {0.635351 0.141185 0.0784058} O4445 7937 0.0 -1 1 {} H 0.0 {0.683429 0.0974526 0.271391} H1693 7938 0.0 -1 1 {} H 0.0 {0.563837 0.13723 0.54945} H1694 7939 0.0 -1 1 {} H 0.0 {0.525813 0.943302 0.863784} H1695 7940 0.0 -1 1 {} H 0.0 {0.625983 0.150513 0.969195} H1696 7941 0.0 -1 1 {} H 0.0 {0.606858 0.837458 0.75847} H1697 7942 0.0 -1 1 {} H 0.0 {0.562178 0.205662 0.388137} H1698 7943 0.0 -1 1 {} H 0.0 {0.546066 0.139666 0.603945} H1699 7944 0.0 -1 1 {} H 0.0 {0.538118 0.904796 0.527036} H1700 7945 0.0 -1 1 {} H 0.0 {0.542935 0.914715 0.531251} H1701 7946 0.0 -1 1 {} H 0.0 {0.582962 0.160864 0.173601} H1702 7947 0.0 -1 1 {} H 0.0 {0.500284 0.178907 0.703788} H1703 7948 0.0 -1 8 {} O 0.0 {0.653483 0.116437 0.389676} O4446 7949 0.0 -1 8 {} O 0.0 {0.512227 0.154305 0.0549754} O4447 7950 0.0 -1 8 {} O 0.0 {0.542135 0.905319 0.516138} O4448 7951 0.0 -1 1 {} H 0.0 {0.535848 0.903554 0.983636} H1704 7952 0.0 -1 1 {} H 0.0 {0.520412 0.143012 0.873453} H1705 7953 0.0 -1 1 {} H 0.0 {0.586267 0.174983 0.459386} H1706 7954 0.0 -1 1 {} H 0.0 {0.449466 0.841037 0.146857} H1707 7955 0.0 -1 1 {} H 0.0 {0.698432 0.934113 0.94217} H1708 7956 0.0 -1 1 {} H 0.0 {0.597647 0.154987 0.932212} H1709 7957 0.0 -1 8 {} O 0.0 {0.674154 0.124941 0.320688} O4449 7958 0.0 -1 8 {} O 0.0 {0.558581 0.829647 0.109984} O4450 7959 0.0 -1 8 {} O 0.0 {0.451246 0.844913 0.555881} O4451 7960 0.0 -1 8 {} O 0.0 {0.454706 0.159137 0.11533} O4452 7961 0.0 -1 8 {} O 0.0 {0.636393 0.0993779 0.369091} O4453 7962 0.0 -1 1 {} H 0.0 {0.553742 0.103147 0.325611} H1710 7963 0.0 -1 1 {} H 0.0 {0.420363 0.124258 0.688028} H1711 7964 0.0 -1 1 {} H 0.0 {0.613844 0.919031 0.680641} H1712 7965 0.0 -1 1 {} H 0.0 {0.537633 0.126749 0.96807} H1713 7966 0.0 -1 1 {} H 0.0 {0.595834 0.221653 0.721994} H1714 7967 0.0 -1 1 {} H 0.0 {0.643294 0.186672 0.173182} H1715 7968 0.0 -1 1 {} H 0.0 {0.660166 0.82938 0.754355} H1716 7969 0.0 -1 1 {} H 0.0 {0.664344 0.164377 0.317646} H1717 7970 0.0 -1 1 {} H 0.0 {0.578802 0.162799 0.332785} H1718 7971 0.0 -1 1 {} H 0.0 {0.59584 0.924146 0.437828} H1719 7972 0.0 -1 1 {} H 0.0 {0.476834 0.0970325 0.0312481} H1720 7973 0.0 -1 8 {} O 0.0 {0.538873 0.156439 0.208835} O4454 7974 0.0 -1 8 {} O 0.0 {0.697607 0.899602 0.994491} O4455 7975 0.0 -1 8 {} O 0.0 {0.629114 0.160129 0.599756} O4456 7976 0.0 -1 1 {} H 0.0 {0.469354 0.126653 0.366416} H1721 7977 0.0 -1 1 {} H 0.0 {0.487189 0.163963 0.972297} H1722 7978 0.0 -1 1 {} H 0.0 {0.760081 0.0986764 0.392299} H1723 7979 0.0 -1 1 {} H 0.0 {0.712046 0.91759 0.852577} H1724 7980 0.0 -1 1 {} H 0.0 {0.670473 0.882358 0.265065} H1725 7981 0.0 -1 1 {} H 0.0 {0.595335 0.207427 0.0118537} H1726 7982 0.0 -1 8 {} O 0.0 {0.373279 0.184951 0.370397} O4457 7983 0.0 -1 8 {} O 0.0 {0.71525 0.945544 0.902475} O4458 7984 0.0 -1 8 {} O 0.0 {0.437097 0.168863 0.451917} O4459 7985 0.0 -1 8 {} O 0.0 {0.700283 0.910572 0.498582} O4460 7986 0.0 -1 8 {} O 0.0 {0.583229 0.113327 0.898625} O4461 7987 0.0 -1 1 {} H 0.0 {0.479949 0.131851 0.642763} H1727 7988 0.0 -1 1 {} H 0.0 {0.486227 0.941522 0.0695411} H1728 7989 0.0 -1 8 {} O 0.0 {0.46829 0.153966 0.630298} O4462 7990 0.0 -1 1 {} H 0.0 {0.438362 0.160731 0.47335} H1729 7991 0.0 -1 1 {} H 0.0 {0.613371 0.140497 0.0172184} H1730 7992 0.0 -1 8 {} O 0.0 {0.590801 0.833457 0.394214} O4463 7993 0.0 -1 8 {} O 0.0 {0.625541 0.212434 0.426067} O4464 7994 0.0 -1 1 {} H 0.0 {0.822744 0.0914288 0.0203949} H1731 7995 0.0 -1 1 {} H 0.0 {0.646318 0.918336 0.0238884} H1732 7996 0.0 -1 1 {} H 0.0 {0.446793 0.890003 0.413152} H1733 7997 0.0 -1 8 {} O 0.0 {0.775545 0.9301 0.119598} O4465 7998 0.0 -1 1 {} H 0.0 {0.482476 0.138244 0.230681} H1734 7999 0.0 -1 1 {} H 0.0 {0.733679 0.924607 0.288146} H1735 8000 0.0 -1 8 {} O 0.0 {0.827344 0.925147 0.866273} O4466 8001 0.0 -1 8 {} O 0.0 {0.449968 0.922895 0.942763} O4467 8002 0.0 -1 1 {} H 0.0 {0.621996 0.851085 0.666837} H1736 8003 0.0 -1 1 {} H 0.0 {0.577631 0.828029 0.755004} H1737 8004 0.0 -1 1 {} H 0.0 {0.502741 0.849841 0.560172} H1738 8005 0.0 -1 1 {} H 0.0 {0.565399 0.887633 0.513302} H1739 8006 0.0 -1 1 {} H 0.0 {0.69007 0.942591 0.738939} H1740 8007 0.0 -1 1 {} H 0.0 {0.627099 0.828654 0.36988} H1741 8008 0.0 -1 1 {} H 0.0 {0.656246 0.924943 0.370555} H1742 8009 0.0 -1 1 {} H 0.0 {0.648999 0.834664 0.388766} H1743 8010 0.0 -1 1 {} H 0.0 {0.635592 0.941614 0.537652} H1744 8011 0.0 -1 1 {} H 0.0 {0.557362 0.799122 0.601962} H1745 8012 0.0 -1 1 {} H 0.0 {0.787118 0.10387 0.418193} H1746 8013 0.0 -1 8 {} O 0.0 {0.650763 0.838192 0.348796} O4468 8014 0.0 -1 8 {} O 0.0 {0.564407 0.930013 0.900105} O4469 8015 0.0 -1 8 {} O 0.0 {0.7341 0.922373 0.243281} O4470 8016 0.0 -1 1 {} H 0.0 {0.48354 0.835615 0.990585} H1747 8017 0.0 -1 1 {} H 0.0 {0.332263 0.959386 0.502552} H1748 8018 0.0 -1 1 {} H 0.0 {0.666863 0.930886 0.615438} H1749 8019 0.0 -1 1 {} H 0.0 {0.650343 0.842741 0.993237} H1750 8020 0.0 -1 1 {} H 0.0 {0.657367 0.942227 0.758315} H1751 8021 0.0 -1 1 {} H 0.0 {0.648561 0.845611 0.34241} H1752 8022 0.0 -1 8 {} O 0.0 {0.565582 0.83311 0.0113058} O4471 8023 0.0 -1 8 {} O 0.0 {0.54959 0.864312 0.26715} O4472 8024 0.0 -1 8 {} O 0.0 {0.763028 0.915941 0.21679} O4473 8025 0.0 -1 8 {} O 0.0 {0.82642 0.0862497 0.0163066} O4474 8026 0.0 -1 8 {} O 0.0 {0.576937 0.821938 0.789021} O4475 8027 0.0 -1 1 {} H 0.0 {0.666075 0.126555 0.470248} H1753 8028 0.0 -1 1 {} H 0.0 {0.665811 0.154961 0.975055} H1754 8029 0.0 -1 1 {} H 0.0 {0.607677 0.865501 0.921524} H1755 8030 0.0 -1 1 {} H 0.0 {0.765805 0.126119 0.861911} H1756 8031 0.0 -1 1 {} H 0.0 {0.564412 0.93106 0.855351} H1757 8032 0.0 -1 1 {} H 0.0 {0.697972 0.938462 0.753175} H1758 8033 0.0 -1 1 {} H 0.0 {0.549322 0.845222 0.611655} H1759 8034 0.0 -1 1 {} H 0.0 {0.637481 0.881103 0.19043} H1760 8035 0.0 -1 1 {} H 0.0 {0.47908 0.889516 0.709913} H1761 8036 0.0 -1 1 {} H 0.0 {0.579972 0.908287 0.921503} H1762 8037 0.0 -1 1 {} H 0.0 {0.686609 0.00254309 0.193384} H1763 8038 0.0 -1 8 {} O 0.0 {0.331868 0.953467 0.539582} O4476 8039 0.0 -1 8 {} O 0.0 {0.473604 0.101142 0.0183171} O4477 8040 0.0 -1 8 {} O 0.0 {0.663647 0.869414 0.636373} O4478 8041 0.0 -1 1 {} H 0.0 {0.618828 0.920376 0.937253} H1764 8042 0.0 -1 1 {} H 0.0 {0.609526 0.830164 0.135141} H1765 8043 0.0 -1 1 {} H 0.0 {0.599019 0.947076 0.430001} H1766 8044 0.0 -1 1 {} H 0.0 {0.918251 0.950891 0.807584} H1767 8045 0.0 -1 1 {} H 0.0 {0.794997 0.938358 0.225575} H1768 8046 0.0 -1 1 {} H 0.0 {0.311715 0.946285 0.527189} H1769 8047 0.0 -1 8 {} O 0.0 {0.609334 0.148152 0.778327} O4479 8048 0.0 -1 8 {} O 0.0 {0.635881 0.935351 0.46608} O4480 8049 0.0 -1 8 {} O 0.0 {0.604224 0.862544 0.905193} O4481 8050 0.0 -1 8 {} O 0.0 {0.696032 0.939465 0.915029} O4482 8051 0.0 -1 8 {} O 0.0 {0.654923 0.938528 0.78867} O4483 8052 0.0 -1 1 {} H 0.0 {0.761828 0.912325 0.176008} H1770 8053 0.0 -1 1 {} H 0.0 {0.370129 0.137977 0.633545} H1771 8054 0.0 -1 1 {} H 0.0 {0.4648 0.928769 0.736574} H1772 8055 0.0 -1 1 {} H 0.0 {0.501133 0.835812 0.586707} H1773 8056 0.0 -1 1 {} H 0.0 {0.502636 0.842588 0.863523} H1774 8057 0.0 -1 1 {} H 0.0 {0.761934 0.940215 0.0961139} H1775 8058 0.0 -1 1 {} H 0.0 {0.564856 0.938697 0.179415} H1776 8059 0.0 -1 1 {} H 0.0 {0.65387 0.887532 0.815774} H1777 8060 0.0 -1 1 {} H 0.0 {0.794143 0.938585 0.0990987} H1778 8061 0.0 -1 1 {} H 0.0 {0.574262 0.0326662 0.377798} H1779 8062 0.0 -1 1 {} H 0.0 {0.742396 0.950072 0.128834} H1780 8063 0.0 -1 8 {} O 0.0 {0.607428 0.834544 0.171956} O4484 8064 0.0 -1 8 {} O 0.0 {0.690308 0.916949 0.29149} O4485 8065 0.0 -1 8 {} O 0.0 {0.796539 0.936311 0.132455} O4486 8066 0.0 -1 1 {} H 0.0 {0.774664 0.933888 0.468492} H1781 8067 0.0 -1 1 {} H 0.0 {0.350512 0.111832 0.117753} H1782 8068 0.0 -1 1 {} H 0.0 {0.658475 0.824778 0.537622} H1783 8069 0.0 -1 1 {} H 0.0 {0.74477 0.921566 0.642585} H1784 8070 0.0 -1 1 {} H 0.0 {0.631382 0.858032 0.340285} H1785 8071 0.0 -1 1 {} H 0.0 {0.673885 0.872172 0.705438} H1786 8072 0.0 -1 8 {} O 0.0 {0.499553 0.84375 0.562433} O4487 8073 0.0 -1 8 {} O 0.0 {0.477248 0.861084 0.76471} O4488 8074 0.0 -1 8 {} O 0.0 {0.420606 0.91265 0.461368} O4489 8075 0.0 -1 8 {} O 0.0 {0.547997 0.838822 0.642667} O4490 8076 0.0 -1 8 {} O 0.0 {0.736663 0.949199 0.213752} O4491 8077 0.0 -1 1 {} H 0.0 {0.446784 0.846843 0.874229} H1787 8078 0.0 -1 1 {} H 0.0 {0.624807 0.824501 0.615861} H1788 8079 0.0 -1 1 {} H 0.0 {0.553779 0.914045 0.535588} H1789 8080 0.0 -1 1 {} H 0.0 {0.544862 0.868267 0.903615} H1790 8081 0.0 -1 1 {} H 0.0 {0.748697 0.918115 0.0271076} H1791 8082 0.0 -1 1 {} H 0.0 {0.542053 0.838508 0.280051} H1792 8083 0.0 -1 1 {} H 0.0 {0.601428 0.171768 0.728813} H1793 8084 0.0 -1 1 {} H 0.0 {0.562503 0.128962 0.279071} H1794 8085 0.0 -1 1 {} H 0.0 {0.557392 0.923119 0.605238} H1795 8086 0.0 -1 1 {} H 0.0 {0.728799 0.933336 0.527539} H1796 8087 0.0 -1 1 {} H 0.0 {0.624973 0.104131 0.542414} H1797 8088 0.0 -1 8 {} O 0.0 {0.478888 0.137853 0.675833} O4492 8089 0.0 -1 8 {} O 0.0 {0.516075 0.836852 0.884231} O4493 8090 0.0 -1 8 {} O 0.0 {0.554112 0.920292 0.629826} O4494 8091 0.0 -1 1 {} H 0.0 {0.554473 0.925178 0.667457} H1798 8092 0.0 -1 1 {} H 0.0 {0.328156 0.934487 0.551866} H1799 8093 0.0 -1 1 {} H 0.0 {0.673801 0.828561 0.939943} H1800 8094 0.0 -1 1 {} H 0.0 {0.673791 0.927043 0.379484} H1801 8095 0.0 -1 1 {} H 0.0 {0.583856 0.937319 0.818589} H1802 8096 0.0 -1 1 {} H 0.0 {0.549483 0.885765 0.182588} H1803 8097 0.0 -1 8 {} O 0.0 {0.599449 0.862323 0.532834} O4495 8098 0.0 -1 8 {} O 0.0 {0.59172 0.800277 0.965105} O4496 8099 0.0 -1 8 {} O 0.0 {0.553747 0.909398 0.496171} O4497 8100 0.0 -1 8 {} O 0.0 {0.550119 0.877362 0.160004} O4498 8101 0.0 -1 8 {} O 0.0 {0.593036 0.110279 0.754791} O4499 8102 0.0 -1 1 {} H 0.0 {0.635166 0.813351 0.943132} H1804 8103 0.0 -1 1 {} H 0.0 {0.572182 0.866335 0.259987} H1805 8104 0.0 -1 1 {} H 0.0 {0.586968 0.87284 0.751027} H1806 8105 0.0 -1 1 {} H 0.0 {0.62596 0.935889 0.165801} H1807 8106 0.0 -1 1 {} H 0.0 {0.375584 0.9318 0.293524} H1808 8107 0.0 -1 1 {} H 0.0 {0.568538 0.207761 0.592816} H1809 8108 0.0 -1 1 {} H 0.0 {0.665612 0.936209 0.159174} H1810 8109 0.0 -1 1 {} H 0.0 {0.414753 0.880026 0.0636484} H1811 8110 0.0 -1 1 {} H 0.0 {0.47191 0.848503 0.633059} H1812 8111 0.0 -1 1 {} H 0.0 {0.719268 0.953243 0.182648} H1813 8112 0.0 -1 1 {} H 0.0 {0.55254 0.141113 0.924198} H1814 8113 0.0 -1 8 {} O 0.0 {0.415956 0.873257 0.0946515} O4500 8114 0.0 -1 8 {} O 0.0 {0.510484 0.128232 0.354598} O4501 8115 0.0 -1 8 {} O 0.0 {0.625032 0.84502 0.675128} O4502 8116 0.0 -1 1 {} H 0.0 {0.45561 0.852133 0.204053} H1815 8117 0.0 -1 1 {} H 0.0 {0.557197 0.821099 0.672061} H1816 8118 0.0 -1 1 {} H 0.0 {0.438931 0.890885 0.0317814} H1817 8119 0.0 -1 1 {} H 0.0 {0.661612 0.851127 0.523616} H1818 8120 0.0 -1 1 {} H 0.0 {0.521645 0.952228 0.108953} H1819 8121 0.0 -1 1 {} H 0.0 {0.813641 0.933813 0.732662} H1820 8122 0.0 -1 8 {} O 0.0 {0.626626 0.930789 0.204594} O4503 8123 0.0 -1 8 {} O 0.0 {0.629172 0.889125 0.460411} O4504 8124 0.0 -1 8 {} O 0.0 {0.469452 0.880619 0.540547} O4505 8125 0.0 -1 8 {} O 0.0 {0.7492 0.9102 0.0531008} O4506 8126 0.0 -1 8 {} O 0.0 {0.591295 0.121842 0.603344} O4507 8127 0.0 -1 1 {} H 0.0 {0.463271 0.937201 0.154396} H1821 8128 0.0 -1 1 {} H 0.0 {0.401388 0.901789 0.834299} H1822 8129 0.0 -1 1 {} H 0.0 {0.542949 0.933323 0.690044} H1823 8130 0.0 -1 1 {} H 0.0 {0.476745 0.924717 0.680942} H1824 8131 0.0 -1 1 {} H 0.0 {0.435219 0.865502 0.334642} H1825 8132 0.0 -1 1 {} H 0.0 {0.554164 0.173392 0.0929782} H1826 8133 0.0 -1 1 {} H 0.0 {0.492814 0.90528 0.287171} H1827 8134 0.0 -1 1 {} H 0.0 {0.680277 0.119702 0.521349} H1828 8135 0.0 -1 1 {} H 0.0 {0.422931 0.918491 0.48785} H1829 8136 0.0 -1 1 {} H 0.0 {0.60649 0.209224 0.629971} H1830 8137 0.0 -1 1 {} H 0.0 {0.477173 0.867716 0.730953} H1831 8138 0.0 -1 8 {} O 0.0 {0.556062 0.827289 0.705337} O4508 8139 0.0 -1 8 {} O 0.0 {0.447166 0.185441 0.186511} O4509 8140 0.0 -1 8 {} O 0.0 {0.700621 0.157553 0.265131} O4510 8141 0.0 -1 1 {} H 0.0 {0.67877 0.117318 0.919902} H1832 8142 0.0 -1 1 {} H 0.0 {0.58563 0.937846 0.151675} H1833 8143 0.0 -1 1 {} H 0.0 {0.691942 0.895623 0.827746} H1834 8144 0.0 -1 1 {} H 0.0 {0.726749 0.956547 0.135416} H1835 8145 0.0 -1 1 {} H 0.0 {0.405931 0.113651 0.351157} H1836 8146 0.0 -1 1 {} H 0.0 {0.623256 0.888508 0.748708} H1837 8147 0.0 -1 8 {} O 0.0 {0.495736 0.909044 0.307215} O4511 8148 0.0 -1 8 {} O 0.0 {0.436446 0.86126 0.0749011} O4512 8149 0.0 -1 8 {} O 0.0 {0.554735 0.941961 0.923523} O4513 8150 0.0 -1 8 {} O 0.0 {0.462935 0.935922 0.19972} O4514 8151 0.0 -1 8 {} O 0.0 {0.472191 0.845929 0.679143} O4515 8152 0.0 -1 1 {} H 0.0 {0.54288 0.83143 0.704748} H1838 8153 0.0 -1 1 {} H 0.0 {0.439464 0.856993 0.0958602} H1839 8154 0.0 -1 1 {} H 0.0 {0.425613 0.90261 0.211468} H1840 8155 0.0 -1 8 {} O 0.0 {0.325792 0.89801 0.666137} O4516 8156 0.0 -1 1 {} H 0.0 {0.437681 0.944798 0.234747} H1841 8157 0.0 -1 1 {} H 0.0 {0.481793 0.84494 0.703513} H1842 8158 0.0 -1 8 {} O 0.0 {0.667919 0.834139 0.223843} O4517 8159 0.0 -1 8 {} O 0.0 {0.452115 0.918985 0.542457} O4518 8160 0.0 -1 1 {} H 0.0 {0.563142 0.861826 0.307757} H1843 8161 0.0 -1 8 {} O 0.0 {0.560596 0.854335 0.312879} O4519 8162 0.0 -1 1 {} H 0.0 {0.64722 0.882952 0.488423} H1844 8163 0.0 -1 1 {} H 0.0 {0.69443 0.177158 0.966464} H1845 8164 0.0 -1 1 {} H 0.0 {0.649516 0.947071 0.75883} H1846 8165 0.0 -1 1 {} H 0.0 {0.671198 0.847801 0.00303362} H1847 8166 0.0 -1 8 {} O 0.0 {0.633968 0.947564 0.874657} O4520 8167 0.0 -1 1 {} H 0.0 {0.732249 0.895407 0.889617} H1848 8168 0.0 -1 1 {} H 0.0 {0.782363 0.926806 0.567318} H1849 8169 0.0 -1 1 {} H 0.0 {0.842639 0.941906 0.0927677} H1850 8170 0.0 -1 1 {} H 0.0 {0.541546 0.85605 7.87293e-005} H1851 8171 0.0 -1 8 {} O 0.0 {0.476781 0.884189 0.68311} O4521 8172 0.0 -1 1 {} H 0.0 {0.774658 0.933278 0.164723} H1852 8173 0.0 -1 1 {} H 0.0 {0.485658 0.943093 0.7595} H1853 8174 0.0 -1 1 {} H 0.0 {0.846341 0.928959 0.325559} H1854 8175 0.0 -1 1 {} H 0.0 {0.815793 0.942429 0.201143} H1855 8176 0.0 -1 8 {} O 0.0 {0.815167 0.940311 0.253512} O4522 8177 0.0 -1 1 {} H 0.0 {0.430463 0.862063 0.559701} H1856 8178 0.0 -1 1 {} H 0.0 {0.783957 0.082504 0.0229117} H1857 8179 0.0 -1 1 {} H 0.0 {0.64844 0.915034 0.445554} H1858 8180 0.0 -1 1 {} H 0.0 {0.670984 0.837373 0.892163} H1859 8181 0.0 -1 8 {} O 0.0 {0.673816 0.837416 0.926261} O4523 8182 0.0 -1 1 {} H 0.0 {0.42601 0.912374 0.678512} H1860 8183 0.0 -1 1 {} H 0.0 {0.507547 0.887329 0.210073} H1861 8184 0.0 -1 1 {} H 0.0 {0.718013 0.938139 0.759371} H1862 8185 0.0 -1 1 {} H 0.0 {0.581882 0.935832 0.38037} H1863 8186 0.0 -1 8 {} O 0.0 {0.620587 0.920386 0.631941} O4524 8187 0.0 -1 1 {} H 0.0 {0.477896 0.885997 0.534509} H1864 8188 0.0 -1 1 {} H 0.0 {0.558962 0.939325 0.92254} H1865 8189 0.0 -1 1 {} H 0.0 {0.631406 0.89446 0.486787} H1866 8190 0.0 -1 1 {} H 0.0 {0.624462 0.937946 0.0568119} H1867 8191 0.0 -1 8 {} O 0.0 {0.615624 0.940912 0.261641} O4525 8192 0.0 -1 1 {} H 0.0 {0.612496 0.856567 0.718588} H1868 8193 0.0 -1 1 {} H 0.0 {0.63641 0.103883 0.74615} H1869 8194 0.0 -1 1 {} H 0.0 {0.708566 0.0899238 0.345994} H1870 8195 0.0 -1 1 {} H 0.0 {0.660557 0.142901 0.807784} H1871 8196 0.0 -1 1 {} H 0.0 {0.716295 0.131649 0.33256} H1872 8197 0.0 -1 8 {} O 0.0 {0.694393 0.103843 0.038252} O4526 8198 0.0 -1 8 {} O 0.0 {0.766001 0.146004 0.0639873} O4527 8199 0.0 -1 1 {} H 0.0 {0.726784 0.1368 0.195722} H1873 8200 0.0 -1 1 {} H 0.0 {0.745185 0.101674 0.626464} H1874 8201 0.0 -1 1 {} H 0.0 {0.654532 0.194373 0.426569} H1875 8202 0.0 -1 1 {} H 0.0 {0.81033 0.112413 0.893647} H1876 8203 0.0 -1 1 {} H 0.0 {0.668012 0.0995777 0.769888} H1877 8204 0.0 -1 1 {} H 0.0 {0.658155 0.127152 0.534408} H1878 8205 0.0 -1 1 {} H 0.0 {0.683915 0.0957925 0.368095} H1879 8206 0.0 -1 1 {} H 0.0 {0.80407 0.118762 0.207574} H1880 8207 0.0 -1 1 {} H 0.0 {0.685046 0.130538 0.903524} H1881 8208 0.0 -1 1 {} H 0.0 {0.756942 0.0952594 0.335772} H1882 8209 0.0 -1 1 {} H 0.0 {0.764584 0.0947766 0.0409897} H1883 8210 0.0 -1 8 {} O 0.0 {0.684115 0.0959768 0.417403} O4528 8211 0.0 -1 8 {} O 0.0 {0.764582 0.0943198 0.0899538} O4529 8212 0.0 -1 8 {} O 0.0 {0.616001 0.107458 0.0316428} O4530 8213 0.0 -1 1 {} H 0.0 {0.701636 0.126747 0.337426} H1884 8214 0.0 -1 1 {} H 0.0 {0.707513 0.167969 0.829407} H1885 8215 0.0 -1 1 {} H 0.0 {0.712941 0.123289 0.837071} H1886 8216 0.0 -1 1 {} H 0.0 {0.800554 0.115156 0.106415} H1887 8217 0.0 -1 1 {} H 0.0 {0.733701 0.138104 0.936383} H1888 8218 0.0 -1 1 {} H 0.0 {0.669166 0.168317 0.425035} H1889 8219 0.0 -1 8 {} O 0.0 {0.79148 0.114429 0.800341} O4531 8220 0.0 -1 8 {} O 0.0 {0.709368 0.123968 0.855541} O4532 8221 0.0 -1 8 {} O 0.0 {0.797339 0.116886 0.93399} O4533 8222 0.0 -1 8 {} O 0.0 {0.722893 0.144264 0.198968} O4534 8223 0.0 -1 8 {} O 0.0 {0.66565 0.168232 0.403609} O4535 8224 0.0 -1 1 {} H 0.0 {0.584467 0.213891 0.619062} H1890 8225 0.0 -1 1 {} H 0.0 {0.756968 0.149506 0.413355} H1891 8226 0.0 -1 1 {} H 0.0 {0.697769 0.167347 0.86008} H1892 8227 0.0 -1 1 {} H 0.0 {0.763859 0.102386 0.635813} H1893 8228 0.0 -1 1 {} H 0.0 {0.704491 0.154328 0.159723} H1894 8229 0.0 -1 1 {} H 0.0 {0.768675 0.113551 0.0784789} H1895 8230 0.0 -1 1 {} H 0.0 {0.661032 0.0982358 0.435462} H1896 8231 0.0 -1 1 {} H 0.0 {0.733595 0.108762 0.0799748} H1897 8232 0.0 -1 1 {} H 0.0 {0.659667 0.163958 0.536936} H1898 8233 0.0 -1 1 {} H 0.0 {0.648032 0.0840494 0.344894} H1899 8234 0.0 -1 1 {} H 0.0 {0.793263 0.112267 0.839488} H1900 8235 0.0 -1 8 {} O 0.0 {0.664038 0.0937062 0.41316} O4536 8236 0.0 -1 8 {} O 0.0 {0.654242 0.111564 0.764596} O4537 8237 0.0 -1 8 {} O 0.0 {0.646354 0.0867175 0.384252} O4538 8238 0.0 -1 1 {} H 0.0 {0.586583 0.140527 0.498302} H1901 8239 0.0 -1 1 {} H 0.0 {0.640734 0.226755 0.156337} H1902 8240 0.0 -1 1 {} H 0.0 {0.661628 0.125262 0.274879} H1903 8241 0.0 -1 1 {} H 0.0 {0.744869 0.0986767 0.918031} H1904 8242 0.0 -1 1 {} H 0.0 {0.644324 0.15562 0.562758} H1905 8243 0.0 -1 1 {} H 0.0 {0.793724 0.107296 0.486774} H1906 8244 0.0 -1 8 {} O 0.0 {0.61105 0.140903 0.106994} O4539 8245 0.0 -1 8 {} O 0.0 {0.630061 0.197232 0.516207} O4540 8246 0.0 -1 8 {} O 0.0 {0.667084 0.140445 0.668282} O4541 8247 0.0 -1 8 {} O 0.0 {0.662577 0.173269 0.754434} O4542 8248 0.0 -1 8 {} O 0.0 {0.712182 0.149488 0.725533} O4543 8249 0.0 -1 1 {} H 0.0 {0.606651 0.17932 0.593529} H1907 8250 0.0 -1 1 {} H 0.0 {0.72708 0.12961 0.0539003} H1908 8251 0.0 -1 1 {} H 0.0 {0.740175 0.117733 0.95096} H1909 8252 0.0 -1 1 {} H 0.0 {0.61803 0.170557 0.0727331} H1910 8253 0.0 -1 1 {} H 0.0 {0.599685 0.185228 0.271718} H1911 8254 0.0 -1 1 {} H 0.0 {0.61244 0.18053 0.286143} H1912 8255 0.0 -1 1 {} H 0.0 {0.706584 0.0970015 0.639015} H1913 8256 0.0 -1 1 {} H 0.0 {0.729132 0.132567 0.53473} H1914 8257 0.0 -1 1 {} H 0.0 {0.568581 0.204887 0.908548} H1915 8258 0.0 -1 1 {} H 0.0 {0.60833 0.098841 0.252169} H1916 8259 0.0 -1 1 {} H 0.0 {0.621711 0.0976436 0.0756974} H1917 8260 0.0 -1 8 {} O 0.0 {0.632425 0.169857 0.446301} O4544 8261 0.0 -1 8 {} O 0.0 {0.62489 0.0948152 0.0968511} O4545 8262 0.0 -1 8 {} O 0.0 {0.605577 0.0954837 0.42025} O4546 8263 0.0 -1 1 {} H 0.0 {0.601898 0.0984531 0.413804} H1918 8264 0.0 -1 1 {} H 0.0 {0.686459 0.14554 0.291779} H1919 8265 0.0 -1 1 {} H 0.0 {0.626944 0.127981 0.519768} H1920 8266 0.0 -1 1 {} H 0.0 {0.633748 0.112406 0.700485} H1921 8267 0.0 -1 1 {} H 0.0 {0.605757 0.116258 0.946585} H1922 8268 0.0 -1 1 {} H 0.0 {0.622223 0.0977628 0.402936} H1923 8269 0.0 -1 8 {} O 0.0 {0.788976 0.125274 0.128139} O4547 8270 0.0 -1 8 {} O 0.0 {0.688818 0.152768 0.303007} O4548 8271 0.0 -1 8 {} O 0.0 {0.673048 0.111703 0.771532} O4549 8272 0.0 -1 8 {} O 0.0 {0.668092 0.154272 0.935255} O4550 8273 0.0 -1 8 {} O 0.0 {0.62481 0.0912589 0.391096} O4551 8274 0.0 -1 1 {} H 0.0 {0.682377 0.166909 0.0253332} H1924 8275 0.0 -1 1 {} H 0.0 {0.699112 0.109245 0.241706} H1925 8276 0.0 -1 1 {} H 0.0 {0.533237 0.123436 0.705242} H1926 8277 0.0 -1 1 {} H 0.0 {0.580853 0.108647 0.397973} H1927 8278 0.0 -1 1 {} H 0.0 {0.588177 0.12892 0.0251659} H1928 8279 0.0 -1 1 {} H 0.0 {0.554834 0.100111 0.660572} H1929 8280 0.0 -1 1 {} H 0.0 {0.632897 0.0974502 0.0516254} H1930 8281 0.0 -1 1 {} H 0.0 {0.565694 0.172334 0.556032} H1931 8282 0.0 -1 1 {} H 0.0 {0.625829 0.129542 0.991348} H1932 8283 0.0 -1 1 {} H 0.0 {0.78812 0.118573 0.169293} H1933 8284 0.0 -1 1 {} H 0.0 {0.644013 0.108013 0.502415} H1934 8285 0.0 -1 8 {} O 0.0 {0.651917 0.149456 0.684079} O4552 8286 0.0 -1 8 {} O 0.0 {0.612678 0.183139 0.242688} O4553 8287 0.0 -1 8 {} O 0.0 {0.585508 0.0867424 0.380357} O4554 8288 0.0 -1 1 {} H 0.0 {0.587387 0.0806165 0.350891} H1935 8289 0.0 -1 1 {} H 0.0 {0.475616 0.173567 0.469558} H1936 8290 0.0 -1 1 {} H 0.0 {0.630323 0.204605 0.557113} H1937 8291 0.0 -1 1 {} H 0.0 {0.585442 0.211717 0.271909} H1938 8292 0.0 -1 1 {} H 0.0 {0.587819 0.0912428 0.0551425} H1939 8293 0.0 -1 1 {} H 0.0 {0.65666 0.116739 0.969225} H1940 8294 0.0 -1 8 {} O 0.0 {0.577101 0.148781 0.844331} O4555 8295 0.0 -1 8 {} O 0.0 {0.596735 0.222128 0.876381} O4556 8296 0.0 -1 8 {} O 0.0 {0.644005 0.17377 0.459856} O4557 8297 0.0 -1 8 {} O 0.0 {0.584229 0.0871313 0.0567247} O4558 8298 0.0 -1 8 {} O 0.0 {0.553907 0.106527 0.369953} O4559 8299 0.0 -1 1 {} H 0.0 {0.620342 0.181422 0.493746} H1941 8300 0.0 -1 1 {} H 0.0 {0.59379 0.103484 0.334662} H1942 8301 0.0 -1 1 {} H 0.0 {0.542827 0.104234 0.0993619} H1943 8302 0.0 -1 1 {} H 0.0 {0.639014 0.146632 0.139725} H1944 8303 0.0 -1 1 {} H 0.0 {0.548625 0.0958437 0.387095} H1945 8304 0.0 -1 1 {} H 0.0 {0.612347 0.149682 0.705834} H1946 8305 0.0 -1 1 {} H 0.0 {0.633636 0.171377 0.64266} H1947 8306 0.0 -1 1 {} H 0.0 {0.603964 0.198992 0.842693} H1948 8307 0.0 -1 1 {} H 0.0 {0.56867 0.097707 0.0636798} H1949 8308 0.0 -1 1 {} H 0.0 {0.436572 0.176867 0.602192} H1950 8309 0.0 -1 1 {} H 0.0 {0.516295 0.104742 0.056831} H1951 8310 0.0 -1 8 {} O 0.0 {0.418864 0.147118 0.487764} O4560 8311 0.0 -1 8 {} O 0.0 {0.709224 0.12158 0.179482} O4561 8312 0.0 -1 8 {} O 0.0 {0.606227 0.201166 0.397649} O4562 8313 0.0 -1 1 {} H 0.0 {0.561716 0.171542 0.898584} H1952 8314 0.0 -1 1 {} H 0.0 {0.601983 0.140461 0.968934} H1953 8315 0.0 -1 1 {} H 0.0 {0.660365 0.107704 0.922955} H1954 8316 0.0 -1 1 {} H 0.0 {0.529641 0.158921 0.826427} H1955 8317 0.0 -1 1 {} H 0.0 {0.567923 0.126377 0.329592} H1956 8318 0.0 -1 1 {} H 0.0 {0.565369 0.0950211 0.354776} H1957 8319 0.0 -1 8 {} O 0.0 {0.573926 0.200913 0.876166} O4563 8320 0.0 -1 8 {} O 0.0 {0.564952 0.0973454 0.0784699} O4564 8321 0.0 -1 8 {} O 0.0 {0.606571 0.157975 0.488171} O4565 8322 0.0 -1 8 {} O 0.0 {0.568899 0.124271 0.404941} O4566 8323 0.0 -1 8 {} O 0.0 {0.565444 0.096287 0.402376} O4567 8324 0.0 -1 1 {} H 0.0 {0.527965 0.129558 0.732103} H1958 8325 0.0 -1 1 {} H 0.0 {0.441982 0.144616 0.508443} H1959 8326 0.0 -1 1 {} H 0.0 {0.570879 0.137195 0.582935} H1960 8327 0.0 -1 1 {} H 0.0 {0.494387 0.18474 0.0546111} H1961 8328 0.0 -1 1 {} H 0.0 {0.527095 0.0827664 0.355464} H1962 8329 0.0 -1 1 {} H 0.0 {0.548421 0.125085 0.476881} H1963 8330 0.0 -1 1 {} H 0.0 {0.596555 0.130423 0.155889} H1964 8331 0.0 -1 1 {} H 0.0 {0.537129 0.108525 0.460442} H1965 8332 0.0 -1 1 {} H 0.0 {0.506057 0.113791 0.12563} H1966 8333 0.0 -1 1 {} H 0.0 {0.607098 0.146701 0.496169} H1967 8334 0.0 -1 1 {} H 0.0 {0.592113 0.0984386 0.395769} H1968 8335 0.0 -1 8 {} O 0.0 {0.57985 0.11511 0.148988} O4568 8336 0.0 -1 8 {} O 0.0 {0.695241 0.155601 0.70497} O4569 8337 0.0 -1 8 {} O 0.0 {0.686575 0.100398 0.294958} O4570 8338 0.0 -1 1 {} H 0.0 {0.689174 0.0935858 0.283033} H1969 8339 0.0 -1 1 {} H 0.0 {0.635761 0.186429 0.840965} H1970 8340 0.0 -1 1 {} H 0.0 {0.510643 0.129953 0.275167} H1971 8341 0.0 -1 1 {} H 0.0 {0.586818 0.177463 0.832531} H1972 8342 0.0 -1 1 {} H 0.0 {0.590669 0.212144 0.634084} H1973 8343 0.0 -1 1 {} H 0.0 {0.56682 0.0950253 0.24322} H1974 8344 0.0 -1 8 {} O 0.0 {0.476534 0.160884 0.338109} O4571 8345 0.0 -1 8 {} O 0.0 {0.427388 0.124477 0.356162} O4572 8346 0.0 -1 8 {} O 0.0 {0.576131 0.107744 0.722645} O4573 8347 0.0 -1 8 {} O 0.0 {0.458162 0.16106 0.424074} O4574 8348 0.0 -1 8 {} O 0.0 {0.544817 0.0912232 0.382466} O4575 8349 0.0 -1 1 {} H 0.0 {0.584642 0.188446 0.951708} H1975 8350 0.0 -1 1 {} H 0.0 {0.6069 0.199303 0.691334} H1976 8351 0.0 -1 1 {} H 0.0 {0.544056 0.143267 0.456059} H1977 8352 0.0 -1 1 {} H 0.0 {0.484895 0.120783 0.835455} H1978 8353 0.0 -1 8 {} O 0.0 {0.587662 0.138188 0.455405} O4576 8354 0.0 -1 8 {} O 0.0 {0.564277 0.133372 0.96013} O4577 8355 0.0 -1 1 {} H 0.0 {0.527123 0.0949496 0.647401} H1979 8356 0.0 -1 1 {} H 0.0 {0.557936 0.171099 0.81171} H1980 8357 0.0 -1 8 {} O 0.0 {0.628012 0.205558 0.0629509} O4578 8358 0.0 -1 8 {} O 0.0 {0.524536 0.0862329 0.38766} O4579 8359 0.0 -1 1 {} H 0.0 {0.780246 0.0982662 0.718517} H1981 8360 0.0 -1 1 {} H 0.0 {0.790602 0.0869044 0.702147} H1982 8361 0.0 -1 1 {} H 0.0 {0.792622 0.120517 0.110596} H1983 8362 0.0 -1 1 {} H 0.0 {0.763033 0.129192 0.281013} H1984 8363 0.0 -1 8 {} O 0.0 {0.852228 0.0884585 0.699127} O4580 8364 0.0 -1 1 {} H 0.0 {0.730193 0.0983245 0.402906} H1985 8365 0.0 -1 1 {} H 0.0 {0.741919 0.087439 0.681978} H1986 8366 0.0 -1 1 {} H 0.0 {0.820057 0.107924 0.411682} H1987 8367 0.0 -1 8 {} O 0.0 {0.747498 0.103351 0.941029} O4581 8368 0.0 -1 8 {} O 0.0 {0.743636 0.0920301 0.718863} O4582 8369 0.0 -1 8 {} O 0.0 {0.707146 0.0943024 0.38144} O4583 8370 0.0 -1 1 {} H 0.0 {0.664421 0.123893 0.93395} H1988 8371 0.0 -1 1 {} H 0.0 {0.715434 0.0985226 0.660293} H1989 8372 0.0 -1 1 {} H 0.0 {0.762923 0.100196 0.941496} H1990 8373 0.0 -1 1 {} H 0.0 {0.740774 0.140339 0.188089} H1991 8374 0.0 -1 1 {} H 0.0 {0.839135 0.0934172 0.0383762} H1992 8375 0.0 -1 1 {} H 0.0 {0.64062 0.109753 0.41068} H1993 8376 0.0 -1 1 {} H 0.0 {0.591445 0.125615 0.0813884} H1994 8377 0.0 -1 1 {} H 0.0 {0.586168 0.918747 0.236496} H1995 8378 0.0 -1 1 {} H 0.0 {0.768134 0.123741 0.949276} H1996 8379 0.0 -1 1 {} H 0.0 {0.716937 0.139675 0.0774131} H1997 8380 0.0 -1 1 {} H 0.0 {0.786249 0.120426 0.833645} H1998 8381 0.0 -1 1 {} H 0.0 {0.693998 0.147168 0.692512} H1999 8382 0.0 -1 1 {} H 0.0 {0.688553 0.177068 0.0392579} H2000 8383 0.0 -1 1 {} H 0.0 {0.743501 0.105831 0.316936} H2001 8384 0.0 -1 1 {} H 0.0 {0.741241 0.126906 0.214728} H2002 8385 0.0 -1 1 {} H 0.0 {0.696922 0.154009 0.275002} H2003 8386 0.0 -1 8 {} O 0.0 {0.759689 0.108507 0.724075} O4584 8387 0.0 -1 8 {} O 0.0 {0.689854 0.110249 0.87527} O4585 8388 0.0 -1 8 {} O 0.0 {0.647211 0.830849 0.500105} O4586 8389 0.0 -1 8 {} O 0.0 {0.714591 0.101531 0.703992} O4587 8390 0.0 -1 1 {} H 0.0 {0.69801 0.0994039 0.0500126} H2004 8391 0.0 -1 1 {} H 0.0 {0.740639 0.11041 0.509928} H2005 8392 0.0 -1 1 {} H 0.0 {0.688613 0.158787 0.264264} H2006 8393 0.0 -1 1 {} H 0.0 {0.722188 0.13888 0.544818} H2007 8394 0.0 -1 1 {} H 0.0 {0.682309 0.150788 0.971449} H2008 8395 0.0 -1 1 {} H 0.0 {0.732935 0.104596 0.753253} H2009 8396 0.0 -1 1 {} H 0.0 {0.776269 0.136362 0.936415} H2010 8397 0.0 -1 1 {} H 0.0 {0.769195 0.111519 0.300929} H2011 8398 0.0 -1 8 {} O 0.0 {0.802587 0.114475 0.729412} O4588 8399 0.0 -1 8 {} O 0.0 {0.740261 0.11863 0.482194} O4589 8400 0.0 -1 8 {} O 0.0 {0.6351 0.133661 0.881471} O4590 8401 0.0 -1 8 {} O 0.0 {0.686162 0.104165 0.631247} O4591 8402 0.0 -1 8 {} O 0.0 {0.622139 0.147961 0.327697} O4592 8403 0.0 -1 8 {} O 0.0 {0.642773 0.116081 0.435338} O4593 8404 0.0 -1 8 {} O 0.0 {0.707362 0.145616 0.931079} O4594 8405 0.0 -1 8 {} O 0.0 {0.747025 0.108414 0.598091} O4595 8406 0.0 -1 1 {} H 0.0 {0.613596 0.158351 0.61146} H2012 8407 0.0 -1 1 {} H 0.0 {0.407174 0.90853 0.857229} H2013 8408 0.0 -1 1 {} H 0.0 {0.817017 0.0981744 0.447647} H2014 8409 0.0 -1 1 {} H 0.0 {0.484667 0.153694 0.287656} H2015 8410 0.0 -1 1 {} H 0.0 {0.664559 0.132313 0.655199} H2016 8411 0.0 -1 1 {} H 0.0 {0.712342 0.0949967 0.721003} H2017 8412 0.0 -1 1 {} H 0.0 {0.59584 0.202397 0.749351} H2018 8413 0.0 -1 1 {} H 0.0 {0.771474 0.926058 0.741671} H2019 8414 0.0 -1 1 {} H 0.0 {0.541491 0.18093 0.010805} H2020 8415 0.0 -1 1 {} H 0.0 {0.726334 0.118483 0.211516} H2021 8416 0.0 -1 1 {} H 0.0 {0.536037 0.820407 0.204448} H2022 8417 0.0 -1 1 {} H 0.0 {0.799487 0.115412 0.757079} H2023 8418 0.0 -1 1 {} H 0.0 {0.754513 0.129343 0.630768} H2024 8419 0.0 -1 1 {} H 0.0 {0.639345 0.778269 0.00323663} H2025 8420 0.0 -1 1 {} H 0.0 {0.708738 0.1367 0.905549} H2026 8421 0.0 -1 1 {} H 0.0 {0.752267 0.107757 0.124362} H2027 8422 0.0 -1 8 {} O 0.0 {0.60326 0.122728 0.157981} O4596 8423 0.0 -1 8 {} O 0.0 {0.706026 0.103667 0.605751} O4597 8424 0.0 -1 8 {} O 0.0 {0.64291 0.780326 0.0242166} O4598 8425 0.0 -1 8 {} O 0.0 {0.814265 0.108832 0.766009} O4599 8426 0.0 -1 1 {} H 0.0 {0.766768 0.920609 0.968121} H2028 8427 0.0 -1 1 {} H 0.0 {0.500577 0.942098 0.561339} H2029 8428 0.0 -1 1 {} H 0.0 {0.666391 0.0906369 0.652724} H2030 8429 0.0 -1 1 {} H 0.0 {0.563674 0.869104 0.193555} H2031 8430 0.0 -1 1 {} H 0.0 {0.729733 0.119781 0.823438} H2032 8431 0.0 -1 1 {} H 0.0 {0.635631 0.140366 0.512364} H2033 8432 0.0 -1 1 {} H 0.0 {0.621552 0.171285 0.764731} H2034 8433 0.0 -1 1 {} H 0.0 {0.638154 0.0913559 0.385225} H2035 8434 0.0 -1 8 {} O 0.0 {0.726645 0.121206 0.85184} O4600 8435 0.0 -1 8 {} O 0.0 {0.405557 0.899984 0.839311} O4601 8436 0.0 -1 8 {} O 0.0 {0.639043 0.170632 0.780158} O4602 8437 0.0 -1 8 {} O 0.0 {0.561366 0.873392 0.163589} O4603 8438 0.0 -1 8 {} O 0.0 {0.80741 0.117717 0.879115} O4604 8439 0.0 -1 8 {} O 0.0 {0.718494 0.121545 0.397679} O4605 8440 0.0 -1 8 {} O 0.0 {0.606057 0.126082 0.921842} O4606 8441 0.0 -1 8 {} O 0.0 {0.687574 0.159786 0.157569} O4607 8442 0.0 -1 1 {} H 0.0 {0.582392 0.164053 0.883655} H2036 8443 0.0 -1 1 {} H 0.0 {0.643049 0.168848 0.779946} H2037 8444 0.0 -1 1 {} H 0.0 {0.53165 0.123559 0.461548} H2038 8445 0.0 -1 1 {} H 0.0 {0.52655 0.101561 0.223235} H2039 8446 0.0 -1 1 {} H 0.0 {0.590884 0.102654 0.747567} H2040 8447 0.0 -1 1 {} H 0.0 {0.662 0.152457 0.0653851} H2041 8448 0.0 -1 1 {} H 0.0 {0.695294 0.165179 0.0124788} H2042 8449 0.0 -1 1 {} H 0.0 {0.68037 0.863612 0.96682} H2043 8450 0.0 -1 1 {} H 0.0 {0.789648 0.105746 0.789801} H2044 8451 0.0 -1 1 {} H 0.0 {0.677863 0.125403 0.107225} H2045 8452 0.0 -1 1 {} H 0.0 {0.708945 0.145095 0.711558} H2046 8453 0.0 -1 1 {} H 0.0 {0.638656 0.127346 0.577282} H2047 8454 0.0 -1 1 {} H 0.0 {0.666926 0.092455 0.947092} H2048 8455 0.0 -1 1 {} H 0.0 {0.619607 0.125592 0.229507} H2049 8456 0.0 -1 1 {} H 0.0 {0.658486 0.121432 0.663667} H2050 8457 0.0 -1 1 {} H 0.0 {0.590516 0.844028 0.156361} H2051 8458 0.0 -1 8 {} O 0.0 {0.583272 0.203695 0.294181} O4608 8459 0.0 -1 8 {} O 0.0 {0.623323 0.108921 0.246378} O4609 8460 0.0 -1 8 {} O 0.0 {0.667105 0.0978324 0.623107} O4610 8461 0.0 -1 8 {} O 0.0 {0.584536 0.169251 0.156542} O4611 8462 0.0 -1 1 {} H 0.0 {0.600324 0.154832 0.290561} H2052 8463 0.0 -1 1 {} H 0.0 {0.739748 0.13456 0.670249} H2053 8464 0.0 -1 1 {} H 0.0 {0.60491 0.119697 0.197332} H2054 8465 0.0 -1 1 {} H 0.0 {0.757034 0.101988 0.743108} H2055 8466 0.0 -1 1 {} H 0.0 {0.780072 0.914699 0.815753} H2056 8467 0.0 -1 1 {} H 0.0 {0.768694 0.0968944 0.963221} H2057 8468 0.0 -1 1 {} H 0.0 {0.697541 0.134808 0.852813} H2058 8469 0.0 -1 1 {} H 0.0 {0.59381 0.10937 0.0275801} H2059 8470 0.0 -1 8 {} O 0.0 {0.765737 0.102824 0.972004} O4612 8471 0.0 -1 8 {} O 0.0 {0.606634 0.208489 0.67715} O4613 8472 0.0 -1 8 {} O 0.0 {0.737678 0.125595 0.960625} O4614 8473 0.0 -1 8 {} O 0.0 {0.735273 0.110282 0.78151} O4615 8474 0.0 -1 8 {} O 0.0 {0.679268 0.154599 0.997761} O4616 8475 0.0 -1 8 {} O 0.0 {0.607851 0.132019 0.503631} O4617 8476 0.0 -1 8 {} O 0.0 {0.652944 0.187729 0.456515} O4618 8477 0.0 -1 8 {} O 0.0 {0.611038 0.179905 0.0440802} O4619 8478 0.0 -1 1 {} H 0.0 {0.554672 0.161777 0.367244} H2060 8479 0.0 -1 1 {} H 0.0 {0.591927 0.862203 0.2867} H2061 8480 0.0 -1 1 {} H 0.0 {0.750196 0.122137 0.255591} H2062 8481 0.0 -1 1 {} H 0.0 {0.511677 0.927111 0.975251} H2063 8482 0.0 -1 1 {} H 0.0 {0.623278 0.13866 0.358724} H2064 8483 0.0 -1 1 {} H 0.0 {0.416569 0.906473 0.676196} H2065 8484 0.0 -1 1 {} H 0.0 {0.672649 0.864883 0.432569} H2066 8485 0.0 -1 1 {} H 0.0 {0.706964 0.155519 0.791344} H2067 8486 0.0 -1 1 {} H 0.0 {0.804145 0.923323 0.275649} H2068 8487 0.0 -1 1 {} H 0.0 {0.791816 0.934154 0.563544} H2069 8488 0.0 -1 1 {} H 0.0 {0.691305 0.911344 0.328389} H2070 8489 0.0 -1 1 {} H 0.0 {0.66455 0.16544 0.0438394} H2071 8490 0.0 -1 1 {} H 0.0 {0.578686 0.110844 0.642048} H2072 8491 0.0 -1 1 {} H 0.0 {0.589805 0.844761 0.585843} H2073 8492 0.0 -1 1 {} H 0.0 {0.548968 0.183624 0.60245} H2074 8493 0.0 -1 1 {} H 0.0 {0.565928 0.211066 0.982291} H2075 8494 0.0 -1 8 {} O 0.0 {0.774768 0.940696 0.239941} O4620 8495 0.0 -1 8 {} O 0.0 {0.58094 0.209231 0.445627} O4621 8496 0.0 -1 8 {} O 0.0 {0.68065 0.925025 0.252237} O4622 8497 0.0 -1 8 {} O 0.0 {0.531242 0.133459 0.483685} O4623 8498 0.0 -1 1 {} H 0.0 {0.507276 0.107303 0.183888} H2076 8499 0.0 -1 1 {} H 0.0 {0.38198 0.924212 0.980273} H2077 8500 0.0 -1 1 {} H 0.0 {0.530354 0.911989 0.498057} H2078 8501 0.0 -1 1 {} H 0.0 {0.68854 0.125634 0.484869} H2079 8502 0.0 -1 1 {} H 0.0 {0.483385 0.132087 0.445721} H2080 8503 0.0 -1 1 {} H 0.0 {0.460004 0.85014 0.40643} H2081 8504 0.0 -1 1 {} H 0.0 {0.644938 0.144122 0.00324211} H2082 8505 0.0 -1 1 {} H 0.0 {0.601725 0.190203 0.930187} H2083 8506 0.0 -1 8 {} O 0.0 {0.604743 0.200995 0.888186} O4624 8507 0.0 -1 8 {} O 0.0 {0.593821 0.855911 0.311442} O4625 8508 0.0 -1 8 {} O 0.0 {0.654313 0.881316 0.778747} O4626 8509 0.0 -1 8 {} O 0.0 {0.70536 0.10067 0.92788} O4627 8510 0.0 -1 8 {} O 0.0 {0.684221 0.174004 0.0580111} O4628 8511 0.0 -1 8 {} O 0.0 {0.41319 0.901487 0.675872} O4629 8512 0.0 -1 8 {} O 0.0 {0.574999 0.170206 0.07977} O4630 8513 0.0 -1 8 {} O 0.0 {0.634673 0.147108 0.770595} O4631 8514 0.0 -1 1 {} H 0.0 {0.662572 0.0847001 0.972038} H2084 8515 0.0 -1 1 {} H 0.0 {0.599585 0.188103 0.769118} H2085 8516 0.0 -1 1 {} H 0.0 {0.448783 0.843004 0.0724595} H2086 8517 0.0 -1 1 {} H 0.0 {0.623859 0.839487 0.157729} H2087 8518 0.0 -1 1 {} H 0.0 {0.641253 0.122773 0.651979} H2088 8519 0.0 -1 1 {} H 0.0 {0.484475 0.126764 0.168919} H2089 8520 0.0 -1 1 {} H 0.0 {0.628351 0.203402 0.11} H2090 8521 0.0 -1 1 {} H 0.0 {0.693852 0.888405 0.0423807} H2091 8522 0.0 -1 1 {} H 0.0 {0.639337 0.186078 0.119887} H2092 8523 0.0 -1 1 {} H 0.0 {0.260727 0.921559 0.88216} H2093 8524 0.0 -1 1 {} H 0.0 {0.543415 0.890809 0.556807} H2094 8525 0.0 -1 1 {} H 0.0 {0.453619 0.851181 0.578973} H2095 8526 0.0 -1 1 {} H 0.0 {0.685168 0.167142 0.0962612} H2096 8527 0.0 -1 1 {} H 0.0 {0.54699 0.885938 0.616115} H2097 8528 0.0 -1 1 {} H 0.0 {0.556536 0.124165 0.0562901} H2098 8529 0.0 -1 1 {} H 0.0 {0.64145 0.140936 0.204711} H2099 8530 0.0 -1 8 {} O 0.0 {0.579047 0.172701 0.338062} O4632 8531 0.0 -1 8 {} O 0.0 {0.617269 0.931329 0.793549} O4633 8532 0.0 -1 8 {} O 0.0 {0.543252 0.887922 0.604152} O4634 8533 0.0 -1 8 {} O 0.0 {0.726152 0.104083 0.579148} O4635 8534 0.0 -1 1 {} H 0.0 {0.515207 0.148564 0.0686706} H2100 8535 0.0 -1 1 {} H 0.0 {0.641097 0.170259 0.282976} H2101 8536 0.0 -1 1 {} H 0.0 {0.613622 0.205977 0.225451} H2102 8537 0.0 -1 1 {} H 0.0 {0.545246 0.103313 0.308123} H2103 8538 0.0 -1 1 {} H 0.0 {0.708025 0.15575 0.0999969} H2104 8539 0.0 -1 1 {} H 0.0 {0.430162 0.857408 0.00513733} H2105 8540 0.0 -1 1 {} H 0.0 {0.396277 0.942196 0.102585} H2106 8541 0.0 -1 1 {} H 0.0 {0.580955 0.200508 0.461701} H2107 8542 0.0 -1 8 {} O 0.0 {0.595708 0.235727 0.764172} O4636 8543 0.0 -1 8 {} O 0.0 {0.605144 0.12923 0.62854} O4637 8544 0.0 -1 8 {} O 0.0 {0.53651 0.156348 0.666245} O4638 8545 0.0 -1 8 {} O 0.0 {0.596726 0.166171 0.515392} O4639 8546 0.0 -1 8 {} O 0.0 {0.594862 0.159245 0.113065} O4640 8547 0.0 -1 8 {} O 0.0 {0.569433 0.853641 0.0938311} O4641 8548 0.0 -1 8 {} O 0.0 {0.537576 0.812229 0.223019} O4642 8549 0.0 -1 8 {} O 0.0 {0.519372 0.135193 0.0997464} O4643 8550 0.0 -1 1 {} H 0.0 {0.586816 0.163021 0.709885} H2108 8551 0.0 -1 1 {} H 0.0 {0.479919 0.188783 0.496921} H2109 8552 0.0 -1 1 {} H 0.0 {0.594333 0.137299 0.419546} H2110 8553 0.0 -1 1 {} H 0.0 {0.391887 0.189565 0.673632} H2111 8554 0.0 -1 1 {} H 0.0 {0.640805 0.132006 0.314776} H2112 8555 0.0 -1 1 {} H 0.0 {0.566663 0.177942 0.208283} H2113 8556 0.0 -1 1 {} H 0.0 {0.497784 0.113844 0.79115} H2114 8557 0.0 -1 1 {} H 0.0 {0.558357 0.164999 0.675487} H2115 8558 0.0 -1 1 {} H 0.0 {0.626745 0.190902 0.531822} H2116 8559 0.0 -1 1 {} H 0.0 {0.421721 0.150777 0.171667} H2117 8560 0.0 -1 1 {} H 0.0 {0.653867 0.108402 0.206711} H2118 8561 0.0 -1 1 {} H 0.0 {0.653784 0.174206 0.0615074} H2119 8562 0.0 -1 1 {} H 0.0 {0.618256 0.155517 0.0773503} H2120 8563 0.0 -1 1 {} H 0.0 {0.614231 0.236473 0.1219} H2121 8564 0.0 -1 1 {} H 0.0 {0.624005 0.162452 0.0201105} H2122 8565 0.0 -1 1 {} H 0.0 {0.583579 0.12028 0.360869} H2123 8566 0.0 -1 8 {} O 0.0 {0.640662 0.14936 0.183356} O4644 8567 0.0 -1 8 {} O 0.0 {0.354257 0.146913 0.156815} O4645 8568 0.0 -1 8 {} O 0.0 {0.657617 0.132694 0.495346} O4646 8569 0.0 -1 8 {} O 0.0 {0.54224 0.186454 0.395991} O4647 8570 0.0 -1 1 {} H 0.0 {0.67191 0.123723 0.925321} H2124 8571 0.0 -1 1 {} H 0.0 {0.508514 0.127682 0.197191} H2125 8572 0.0 -1 1 {} H 0.0 {0.529145 0.116556 0.159893} H2126 8573 0.0 -1 1 {} H 0.0 {0.609163 0.161548 0.530769} H2127 8574 0.0 -1 1 {} H 0.0 {0.834111 0.936247 0.116599} H2128 8575 0.0 -1 1 {} H 0.0 {0.500524 0.181556 0.873516} H2129 8576 0.0 -1 1 {} H 0.0 {0.445335 0.0978836 0.934736} H2130 8577 0.0 -1 1 {} H 0.0 {0.554907 0.196013 0.627778} H2131 8578 0.0 -1 8 {} O 0.0 {0.653454 0.117929 0.195101} O4648 8579 0.0 -1 8 {} O 0.0 {0.481904 0.191055 0.534877} O4649 8580 0.0 -1 8 {} O 0.0 {0.496141 0.176165 0.051399} O4650 8581 0.0 -1 8 {} O 0.0 {0.6436 0.886434 0.48155} O4651 8582 0.0 -1 8 {} O 0.0 {0.796591 0.940609 0.267024} O4652 8583 0.0 -1 8 {} O 0.0 {0.615353 0.213893 0.242341} O4653 8584 0.0 -1 8 {} O 0.0 {0.59475 0.193966 0.153346} O4654 8585 0.0 -1 8 {} O 0.0 {0.582626 0.152131 0.557872} O4655 8586 0.0 -1 1 {} H 0.0 {0.588265 0.121008 0.768952} H2132 8587 0.0 -1 1 {} H 0.0 {0.675869 0.913291 0.954423} H2133 8588 0.0 -1 1 {} H 0.0 {0.483751 0.181729 0.736688} H2134 8589 0.0 -1 1 {} H 0.0 {0.494141 0.132501 0.258088} H2135 8590 0.0 -1 8 {} O 0.0 {0.570713 0.127266 0.814752} O4656 8591 0.0 -1 8 {} O 0.0 {0.597887 0.157796 0.750057} O4657 8592 0.0 -1 1 {} H 0.0 {0.520345 0.183475 0.0170645} H2136 8593 0.0 -1 1 {} H 0.0 {0.413594 0.11777 0.893231} H2137 8594 0.0 -1 1 {} H 0.0 {0.594921 0.166278 0.472295} H2138 8595 0.0 -1 8 {} O 0.0 {0.331465 0.137573 0.554362} O4658 8596 0.0 -1 8 {} O 0.0 {0.472645 0.102847 0.670567} O4659 8597 0.0 -1 8 {} O 0.0 {0.472052 0.175735 0.71773} O4660 8598 0.0 -1 1 {} H 0.0 {0.660721 0.878195 0.635085} H2139 8599 0.0 -1 1 {} H 0.0 {0.553166 0.861466 0.2804} H2140 8600 0.0 -1 1 {} H 0.0 {0.642283 0.889318 0.75017} H2141 8601 0.0 -1 1 {} H 0.0 {0.679785 0.915516 0.582615} H2142 8602 0.0 -1 8 {} O 0.0 {0.67972 0.914178 0.533886} O4661 8603 0.0 -1 1 {} H 0.0 {0.742 0.942597 0.412633} H2143 8604 0.0 -1 1 {} H 0.0 {0.700623 0.895243 0.820112} H2144 8605 0.0 -1 1 {} H 0.0 {0.772435 0.93233 0.0962843} H2145 8606 0.0 -1 8 {} O 0.0 {0.632234 0.86318 0.986981} O4662 8607 0.0 -1 8 {} O 0.0 {0.704249 0.891503 0.811688} O4663 8608 0.0 -1 8 {} O 0.0 {0.78705 0.0889196 0.723331} O4664 8609 0.0 -1 1 {} H 0.0 {0.610505 0.230571 0.0721198} H2146 8610 0.0 -1 1 {} H 0.0 {0.697759 0.937785 0.417475} H2147 8611 0.0 -1 1 {} H 0.0 {0.641256 0.861279 0.845515} H2148 8612 0.0 -1 1 {} H 0.0 {0.690439 0.863764 0.80821} H2149 8613 0.0 -1 1 {} H 0.0 {0.609739 0.159097 0.84539} H2150 8614 0.0 -1 1 {} H 0.0 {0.714878 0.903713 0.90805} H2151 8615 0.0 -1 1 {} H 0.0 {0.576822 0.93781 0.561689} H2152 8616 0.0 -1 1 {} H 0.0 {0.823376 0.938621 0.0950306} H2153 8617 0.0 -1 1 {} H 0.0 {0.689179 0.942557 0.415632} H2154 8618 0.0 -1 1 {} H 0.0 {0.456072 0.149835 0.102959} H2155 8619 0.0 -1 1 {} H 0.0 {0.631191 0.872299 0.99841} H2156 8620 0.0 -1 1 {} H 0.0 {0.690364 0.882581 0.252357} H2157 8621 0.0 -1 1 {} H 0.0 {0.619403 0.919551 0.866273} H2158 8622 0.0 -1 1 {} H 0.0 {0.629277 0.826464 0.80241} H2159 8623 0.0 -1 1 {} H 0.0 {0.692563 0.883054 0.583703} H2160 8624 0.0 -1 1 {} H 0.0 {0.582646 0.847782 0.664651} H2161 8625 0.0 -1 8 {} O 0.0 {0.736722 0.939443 0.576277} O4665 8626 0.0 -1 8 {} O 0.0 {0.641907 0.78598 0.83917} O4666 8627 0.0 -1 8 {} O 0.0 {0.654655 0.845783 0.0667118} O4667 8628 0.0 -1 8 {} O 0.0 {0.619535 0.913696 0.905342} O4668 8629 0.0 -1 1 {} H 0.0 {0.53887 0.858691 0.553881} H2162 8630 0.0 -1 1 {} H 0.0 {0.564732 0.83683 0.969905} H2163 8631 0.0 -1 1 {} H 0.0 {0.709116 0.93682 0.732002} H2164 8632 0.0 -1 1 {} H 0.0 {0.753692 0.940467 0.527504} H2165 8633 0.0 -1 1 {} H 0.0 {0.0453793 0.098287 0.732233} H2166 8634 0.0 -1 1 {} H 0.0 {0.608388 0.832881 0.00779461} H2167 8635 0.0 -1 1 {} H 0.0 {0.762096 0.942088 0.766803} H2168 8636 0.0 -1 1 {} H 0.0 {0.44713 0.948866 0.517748} H2169 8637 0.0 -1 8 {} O 0.0 {0.579757 0.84718 0.0224577} O4669 8638 0.0 -1 8 {} O 0.0 {0.582336 0.834512 0.898187} O4670 8639 0.0 -1 8 {} O 0.0 {0.817582 0.942427 0.14375} O4671 8640 0.0 -1 8 {} O 0.0 {0.742267 0.914763 0.722922} O4672 8641 0.0 -1 8 {} O 0.0 {0.0423325 0.0920766 0.715633} O4673 8642 0.0 -1 8 {} O 0.0 {0.562836 0.904179 0.758119} O4674 8643 0.0 -1 8 {} O 0.0 {0.695266 0.846467 0.725682} O4675 8644 0.0 -1 8 {} O 0.0 {0.625434 0.831819 0.330902} O4676 8645 0.0 -1 1 {} H 0.0 {0.64696 0.133005 0.0699424} H2170 8646 0.0 -1 1 {} H 0.0 {0.663296 0.869717 0.931541} H2171 8647 0.0 -1 1 {} H 0.0 {0.68221 0.915138 0.109601} H2172 8648 0.0 -1 1 {} H 0.0 {0.639051 0.938833 0.446103} H2173 8649 0.0 -1 1 {} H 0.0 {0.720586 0.14172 0.156462} H2174 8650 0.0 -1 1 {} H 0.0 {0.655627 0.94079 0.420038} H2175 8651 0.0 -1 1 {} H 0.0 {0.564697 0.101578 0.975448} H2176 8652 0.0 -1 1 {} H 0.0 {0.69599 0.898833 0.951263} H2177 8653 0.0 -1 1 {} H 0.0 {0.619296 0.88704 0.359039} H2178 8654 0.0 -1 1 {} H 0.0 {0.695677 0.137374 0.0164321} H2179 8655 0.0 -1 1 {} H 0.0 {0.674766 0.85877 0.0381381} H2180 8656 0.0 -1 1 {} H 0.0 {0.631437 0.941135 0.221006} H2181 8657 0.0 -1 1 {} H 0.0 {0.61503 0.941969 0.212717} H2182 8658 0.0 -1 1 {} H 0.0 {0.908531 0.944947 0.80607} H2183 8659 0.0 -1 1 {} H 0.0 {0.56262 0.156666 0.8943} H2184 8660 0.0 -1 1 {} H 0.0 {0.707183 0.903928 0.302449} H2185 8661 0.0 -1 8 {} O 0.0 {0.671221 0.870684 0.468353} O4677 8662 0.0 -1 8 {} O 0.0 {0.645368 0.164207 0.579674} O4678 8663 0.0 -1 8 {} O 0.0 {0.913411 0.952538 0.841653} O4679 8664 0.0 -1 8 {} O 0.0 {0.634812 0.948064 0.220011} O4680 8665 0.0 -1 1 {} H 0.0 {0.555423 0.870789 0.915968} H2186 8666 0.0 -1 1 {} H 0.0 {0.639891 0.855738 0.312683} H2187 8667 0.0 -1 1 {} H 0.0 {0.613445 0.94062 0.405865} H2188 8668 0.0 -1 1 {} H 0.0 {0.632759 0.843698 0.357115} H2189 8669 0.0 -1 1 {} H 0.0 {0.641711 0.940981 0.18739} H2190 8670 0.0 -1 1 {} H 0.0 {0.653499 0.938693 0.4904} H2191 8671 0.0 -1 1 {} H 0.0 {0.379061 0.935185 0.94577} H2192 8672 0.0 -1 1 {} H 0.0 {0.692299 0.905237 0.625606} H2193 8673 0.0 -1 8 {} O 0.0 {0.38164 0.928163 0.938579} O4681 8674 0.0 -1 8 {} O 0.0 {0.662237 0.867674 0.88498} O4682 8675 0.0 -1 8 {} O 0.0 {0.702583 0.916064 0.179861} O4683 8676 0.0 -1 8 {} O 0.0 {0.467187 0.842422 0.199425} O4684 8677 0.0 -1 8 {} O 0.0 {0.6447 0.934715 0.181469} O4685 8678 0.0 -1 8 {} O 0.0 {0.653217 0.934859 0.44542} O4686 8679 0.0 -1 8 {} O 0.0 {0.754905 0.940325 0.573252} O4687 8680 0.0 -1 8 {} O 0.0 {0.500774 0.835378 0.836566} O4688 8681 0.0 -1 1 {} H 0.0 {0.583359 0.93864 0.494461} H2194 8682 0.0 -1 1 {} H 0.0 {0.499147 0.152464 0.774502} H2195 8683 0.0 -1 1 {} H 0.0 {0.632627 0.925968 0.840641} H2196 8684 0.0 -1 1 {} H 0.0 {0.720546 0.921076 0.921668} H2197 8685 0.0 -1 1 {} H 0.0 {0.753428 0.127635 0.197016} H2198 8686 0.0 -1 1 {} H 0.0 {0.51819 0.928523 0.608314} H2199 8687 0.0 -1 1 {} H 0.0 {0.548026 0.85372 0.487211} H2200 8688 0.0 -1 1 {} H 0.0 {0.729104 0.942429 0.761668} H2201 8689 0.0 -1 1 {} H 0.0 {0.703169 0.905639 0.252971} H2202 8690 0.0 -1 1 {} H 0.0 {0.451531 0.915479 0.805155} H2203 8691 0.0 -1 1 {} H 0.0 {0.565955 0.845855 0.160772} H2204 8692 0.0 -1 1 {} H 0.0 {0.604063 0.937376 0.843157} H2205 8693 0.0 -1 1 {} H 0.0 {0.763192 0.926713 0.565679} H2206 8694 0.0 -1 1 {} H 0.0 {0.748579 0.928954 0.599084} H2207 8695 0.0 -1 1 {} H 0.0 {0.455941 0.905499 0.832349} H2208 8696 0.0 -1 1 {} H 0.0 {0.616013 0.17892 0.229565} H2209 8697 0.0 -1 8 {} O 0.0 {0.704161 0.899972 0.287829} O4689 8698 0.0 -1 8 {} O 0.0 {0.452492 0.908971 0.841091} O4690 8699 0.0 -1 8 {} O 0.0 {0.745382 0.923501 0.599669} O4691 8700 0.0 -1 8 {} O 0.0 {0.633399 0.798246 0.728799} O4692 8701 0.0 -1 1 {} H 0.0 {0.537054 0.169538 0.348283} H2210 8702 0.0 -1 1 {} H 0.0 {0.662046 0.909024 0.129468} H2211 8703 0.0 -1 1 {} H 0.0 {0.686569 0.848112 0.572229} H2212 8704 0.0 -1 1 {} H 0.0 {0.841616 0.932887 0.274479} H2213 8705 0.0 -1 1 {} H 0.0 {0.463429 0.841809 0.209473} H2214 8706 0.0 -1 1 {} H 0.0 {0.519118 0.917812 0.657797} H2215 8707 0.0 -1 1 {} H 0.0 {0.467539 0.88065 0.581633} H2216 8708 0.0 -1 1 {} H 0.0 {0.539851 0.903209 0.0974237} H2217 8709 0.0 -1 8 {} O 0.0 {0.695537 0.889365 0.196946} O4693 8710 0.0 -1 8 {} O 0.0 {0.446697 0.841512 0.110435} O4694 8711 0.0 -1 8 {} O 0.0 {0.688489 0.849455 0.529752} O4695 8712 0.0 -1 8 {} O 0.0 {0.845329 0.926752 0.281264} O4696 8713 0.0 -1 8 {} O 0.0 {0.322167 0.940202 0.838539} O4697 8714 0.0 -1 8 {} O 0.0 {0.516297 0.921361 0.63041} O4698 8715 0.0 -1 8 {} O 0.0 {0.622096 0.179016 0.533946} O4699 8716 0.0 -1 8 {} O 0.0 {0.472095 0.860511 0.900123} O4700 8717 0.0 -1 1 {} H 0.0 {0.649208 0.884357 0.188351} H2218 8718 0.0 -1 1 {} H 0.0 {0.393854 0.94323 0.188426} H2219 8719 0.0 -1 1 {} H 0.0 {0.615988 0.896684 0.627459} H2220 8720 0.0 -1 1 {} H 0.0 {0.660295 0.881992 0.211951} H2221 8721 0.0 -1 1 {} H 0.0 {0.62676 0.104903 0.237739} H2222 8722 0.0 -1 1 {} H 0.0 {0.544226 0.819801 0.75297} H2223 8723 0.0 -1 1 {} H 0.0 {0.656442 0.874443 0.797872} H2224 8724 0.0 -1 1 {} H 0.0 {0.332628 0.932004 0.0681141} H2225 8725 0.0 -1 1 {} H 0.0 {0.626027 0.167254 0.942848} H2226 8726 0.0 -1 1 {} H 0.0 {0.549375 0.905958 0.874094} H2227 8727 0.0 -1 1 {} H 0.0 {0.562396 0.849279 0.375987} H2228 8728 0.0 -1 1 {} H 0.0 {0.46654 0.940191 0.0537395} H2229 8729 0.0 -1 1 {} H 0.0 {0.477074 0.94174 0.247361} H2230 8730 0.0 -1 1 {} H 0.0 {0.645748 0.940616 0.104238} H2231 8731 0.0 -1 1 {} H 0.0 {0.564253 0.875924 0.994691} H2232 8732 0.0 -1 1 {} H 0.0 {0.456783 0.876459 0.264393} H2233 8733 0.0 -1 8 {} O 0.0 {0.699074 0.118633 0.23387} O4701 8734 0.0 -1 8 {} O 0.0 {0.312971 0.134599 0.811389} O4702 8735 0.0 -1 8 {} O 0.0 {0.69264 0.875245 0.557517} O4703 8736 0.0 -1 8 {} O 0.0 {0.473595 0.946271 0.235924} O4704 8737 0.0 -1 1 {} H 0.0 {0.575034 0.902665 0.61307} H2234 8738 0.0 -1 1 {} H 0.0 {0.706095 0.92319 0.961338} H2235 8739 0.0 -1 1 {} H 0.0 {0.477921 0.885682 0.640797} H2236 8740 0.0 -1 1 {} H 0.0 {0.761254 0.909869 0.056402} H2237 8741 0.0 -1 1 {} H 0.0 {0.656553 0.931066 0.305689} H2238 8742 0.0 -1 1 {} H 0.0 {0.401571 0.171795 0.0449303} H2239 8743 0.0 -1 1 {} H 0.0 {0.531867 0.888142 0.202298} H2240 8744 0.0 -1 1 {} H 0.0 {0.517976 0.836064 0.843914} H2241 8745 0.0 -1 8 {} O 0.0 {0.550406 0.840565 0.891756} O4705 8746 0.0 -1 8 {} O 0.0 {0.413332 0.941156 0.58672} O4706 8747 0.0 -1 8 {} O 0.0 {0.438101 0.910971 0.268736} O4707 8748 0.0 -1 8 {} O 0.0 {0.69157 0.919159 0.565609} O4708 8749 0.0 -1 8 {} O 0.0 {0.678914 0.919643 0.0889918} O4709 8750 0.0 -1 8 {} O 0.0 {0.432115 0.860994 0.602758} O4710 8751 0.0 -1 8 {} O 0.0 {0.511804 0.92013 0.837766} O4711 8752 0.0 -1 8 {} O 0.0 {0.6448 0.170623 0.265604} O4712 8753 0.0 -1 1 {} H 0.0 {0.592147 0.942079 0.222061} H2242 8754 0.0 -1 1 {} H 0.0 {0.675351 0.907741 0.794976} H2243 8755 0.0 -1 1 {} H 0.0 {0.511124 0.859454 0.546204} H2244 8756 0.0 -1 1 {} H 0.0 {0.659083 0.921195 0.149703} H2245 8757 0.0 -1 1 {} H 0.0 {0.599813 0.197352 0.509108} H2246 8758 0.0 -1 1 {} H 0.0 {0.427995 0.121924 0.405648} H2247 8759 0.0 -1 1 {} H 0.0 {0.65428 0.826283 0.736913} H2248 8760 0.0 -1 1 {} H 0.0 {0.732007 0.91169 0.998687} H2249 8761 0.0 -1 1 {} H 0.0 {0.458986 0.924788 0.265559} H2250 8762 0.0 -1 1 {} H 0.0 {0.633551 0.178375 0.373254} H2251 8763 0.0 -1 1 {} H 0.0 {0.676752 0.86208 0.332046} H2252 8764 0.0 -1 1 {} H 0.0 {0.447261 0.880606 0.712589} H2253 8765 0.0 -1 1 {} H 0.0 {0.538955 0.839063 0.599575} H2254 8766 0.0 -1 1 {} H 0.0 {0.669161 0.939512 0.216811} H2255 8767 0.0 -1 1 {} H 0.0 {0.534908 0.164461 0.87926} H2256 8768 0.0 -1 1 {} H 0.0 {0.526265 0.903511 0.706699} H2257 8769 0.0 -1 8 {} O 0.0 {0.517755 0.887346 0.83635} O4713 8770 0.0 -1 8 {} O 0.0 {0.532359 0.154106 0.859261} O4714 8771 0.0 -1 8 {} O 0.0 {0.687606 0.895794 0.764267} O4715 8772 0.0 -1 8 {} O 0.0 {0.536365 0.845667 0.609441} O4716 8773 0.0 -1 1 {} H 0.0 {0.547831 0.943615 0.0762174} H2258 8774 0.0 -1 1 {} H 0.0 {0.642829 0.814383 0.983329} H2259 8775 0.0 -1 1 {} H 0.0 {0.735291 0.937524 0.826151} H2260 8776 0.0 -1 1 {} H 0.0 {0.497621 0.95102 0.203914} H2261 8777 0.0 -1 1 {} H 0.0 {0.595999 0.812448 0.260453} H2262 8778 0.0 -1 1 {} H 0.0 {0.609121 0.896131 0.925334} H2263 8779 0.0 -1 1 {} H 0.0 {0.650925 0.906393 0.91579} H2264 8780 0.0 -1 1 {} H 0.0 {0.591385 0.120366 0.648423} H2265 8781 0.0 -1 8 {} O 0.0 {0.631012 0.811495 0.946214} O4717 8782 0.0 -1 8 {} O 0.0 {0.662601 0.845971 0.822133} O4718 8783 0.0 -1 8 {} O 0.0 {0.734734 0.934566 0.780422} O4719 8784 0.0 -1 8 {} O 0.0 {0.4937 0.952689 0.216361} O4720 8785 0.0 -1 8 {} O 0.0 {0.613513 0.901549 0.598946} O4721 8786 0.0 -1 8 {} O 0.0 {0.536168 0.840751 0.825654} O4722 8787 0.0 -1 8 {} O 0.0 {0.549032 0.898599 0.838632} O4723 8788 0.0 -1 8 {} O 0.0 {0.665826 0.935456 0.20319} O4724 8789 0.0 -1 1 {} H 0.0 {0.799503 0.937055 0.896489} H2266 8790 0.0 -1 1 {} H 0.0 {0.593787 0.835406 0.48476} H2267 8791 0.0 -1 1 {} H 0.0 {0.737675 0.94001 0.755917} H2268 8792 0.0 -1 1 {} H 0.0 {0.425626 0.851738 0.775789} H2269 8793 0.0 -1 1 {} H 0.0 {0.81242 0.944945 0.0980065} H2270 8794 0.0 -1 1 {} H 0.0 {0.523426 0.942183 0.763231} H2271 8795 0.0 -1 1 {} H 0.0 {0.798041 0.932271 0.477083} H2272 8796 0.0 -1 1 {} H 0.0 {0.742198 0.879879 0.838157} H2273 8797 0.0 -1 1 {} H 0.0 {0.511485 0.928503 0.865659} H2274 8798 0.0 -1 1 {} H 0.0 {0.524284 0.884126 0.984993} H2275 8799 0.0 -1 1 {} H 0.0 {0.350223 0.936643 0.764882} H2276 8800 0.0 -1 1 {} H 0.0 {0.516582 0.900923 0.521738} H2277 8801 0.0 -1 1 {} H 0.0 {0.568036 0.944697 0.0868301} H2278 8802 0.0 -1 1 {} H 0.0 {0.35362 0.935726 0.822797} H2279 8803 0.0 -1 1 {} H 0.0 {0.533986 0.887383 0.305089} H2280 8804 0.0 -1 1 {} H 0.0 {0.566227 0.950565 0.460984} H2281 8805 0.0 -1 8 {} O 0.0 {0.58379 0.936977 0.865926} O4725 8806 0.0 -1 8 {} O 0.0 {0.584989 0.865168 0.771461} O4726 8807 0.0 -1 8 {} O 0.0 {0.35361 0.932987 0.781513} O4727 8808 0.0 -1 8 {} O 0.0 {0.508499 0.894078 0.371187} O4728 8809 0.0 -1 1 {} H 0.0 {0.518427 0.917642 0.174703} H2282 8810 0.0 -1 1 {} H 0.0 {0.718123 0.939578 0.912162} H2283 8811 0.0 -1 1 {} H 0.0 {0.298263 0.958468 0.448977} H2284 8812 0.0 -1 1 {} H 0.0 {0.372807 0.936647 0.46487} H2285 8813 0.0 -1 1 {} H 0.0 {0.57348 0.122794 0.79446} H2286 8814 0.0 -1 1 {} H 0.0 {0.455798 0.921287 0.549133} H2287 8815 0.0 -1 1 {} H 0.0 {0.560409 0.832122 0.14893} H2288 8816 0.0 -1 1 {} H 0.0 {0.596918 0.122419 0.416917} H2289 8817 0.0 -1 8 {} O 0.0 {0.463366 0.902038 0.48122} O4729 8818 0.0 -1 8 {} O 0.0 {0.523333 0.890563 0.953844} O4730 8819 0.0 -1 8 {} O 0.0 {0.352044 0.948869 0.221378} O4731 8820 0.0 -1 8 {} O 0.0 {0.372231 0.931964 0.425494} O4732 8821 0.0 -1 8 {} O 0.0 {0.60314 0.183931 0.594231} O4733 8822 0.0 -1 8 {} O 0.0 {0.514199 0.943682 0.915488} O4734 8823 0.0 -1 8 {} O 0.0 {0.736487 0.933813 0.435703} O4735 8824 0.0 -1 8 {} O 0.0 {0.550299 0.187735 0.209569} O4736 8825 0.0 -1 1 {} H 0.0 {0.448972 0.906912 0.171877} H2290 8826 0.0 -1 1 {} H 0.0 {0.335689 0.939978 0.233473} H2291 8827 0.0 -1 1 {} H 0.0 {0.593893 0.829849 0.886646} H2292 8828 0.0 -1 1 {} H 0.0 {0.527853 0.850478 0.391506} H2293 8829 0.0 -1 8 {} O 0.0 {0.462217 0.811643 0.953298} O4737 8830 0.0 -1 8 {} O 0.0 {0.430806 0.882411 0.822846} O4738 8831 0.0 -1 1 {} H 0.0 {0.501446 0.809765 0.738737} H2294 8832 0.0 -1 1 {} H 0.0 {0.078899 0.94568 0.142781} H2295 8833 0.0 -1 1 {} H 0.0 {0.617969 0.869721 0.414556} H2296 8834 0.0 -1 8 {} O 0.0 {0.59539 0.827268 0.929512} O4739 8835 0.0 -1 8 {} O 0.0 {0.074656 0.943368 0.189685} O4740 8836 0.0 -1 8 {} O 0.0 {0.617814 0.879345 0.426353} O4741 8837 0.0 -1 1 {} H 0.0 {0.657293 0.894603 0.179205} H2297 8838 0.0 -1 1 {} H 0.0 {0.729668 0.904032 0.768689} H2298 8839 0.0 -1 1 {} H 0.0 {0.644414 0.778849 0.841079} H2299 8840 0.0 -1 8 {} O 0.0 {0.709701 0.912899 0.882859} O4742 8841 0.0 -1 1 {} H 0.0 {0.690367 0.897936 0.690082} H2300 8842 0.0 -1 1 {} H 0.0 {0.608552 0.872073 0.20142} H2301 8843 0.0 -1 8 {} O 0.0 {0.718048 0.902537 0.935837} O4743 8844 0.0 -1 8 {} O 0.0 {0.723625 0.926424 0.908852} O4744 8845 0.0 -1 1 {} H 0.0 {0.537402 0.8617 0.9269} H2302 8846 0.0 -1 1 {} H 0.0 {0.632084 0.952335 0.839953} H2303 8847 0.0 -1 1 {} H 0.0 {0.589492 0.940122 0.557149} H2304 8848 0.0 -1 1 {} H 0.0 {0.5761 0.934595 0.293962} H2305 8849 0.0 -1 1 {} H 0.0 {0.542551 0.93219 0.239612} H2306 8850 0.0 -1 1 {} H 0.0 {0.721992 0.905567 0.726652} H2307 8851 0.0 -1 1 {} H 0.0 {0.560208 0.896123 0.749142} H2308 8852 0.0 -1 1 {} H 0.0 {0.721933 0.902626 0.475761} H2309 8853 0.0 -1 1 {} H 0.0 {0.684063 0.897897 0.778832} H2310 8854 0.0 -1 1 {} H 0.0 {0.545091 0.849046 0.240859} H2311 8855 0.0 -1 1 {} H 0.0 {0.639395 0.910807 0.613705} H2312 8856 0.0 -1 8 {} O 0.0 {0.691168 0.896757 0.64387} O4745 8857 0.0 -1 8 {} O 0.0 {0.43299 0.932436 0.0969652} O4746 8858 0.0 -1 8 {} O 0.0 {0.73392 0.906947 0.964443} O4747 8859 0.0 -1 1 {} H 0.0 {0.651037 0.938279 0.908682} H2313 8860 0.0 -1 1 {} H 0.0 {0.729097 0.919282 0.754205} H2314 8861 0.0 -1 1 {} H 0.0 {0.64746 0.924073 0.655834} H2315 8862 0.0 -1 1 {} H 0.0 {0.588477 0.937652 0.0472612} H2316 8863 0.0 -1 1 {} H 0.0 {0.720094 0.894918 0.916045} H2317 8864 0.0 -1 1 {} H 0.0 {0.599125 0.860538 0.636945} H2318 8865 0.0 -1 8 {} O 0.0 {0.686214 0.85656 0.399557} O4748 8866 0.0 -1 8 {} O 0.0 {0.654549 0.93981 0.934881} O4749 8867 0.0 -1 8 {} O 0.0 {0.546118 0.930787 0.22412} O4750 8868 0.0 -1 8 {} O 0.0 {0.728021 0.910821 0.73575} O4751 8869 0.0 -1 8 {} O 0.0 {0.739181 0.912774 0.121881} O4752 8870 0.0 -1 1 {} H 0.0 {0.850962 0.94302 0.42484} H2319 8871 0.0 -1 1 {} H 0.0 {0.501997 0.939919 0.834959} H2320 8872 0.0 -1 1 {} H 0.0 {0.595277 0.82825 0.268595} H2321 8873 0.0 -1 1 {} H 0.0 {0.827394 0.0584595 0.208774} H2322 8874 0.0 -1 1 {} H 0.0 {0.71781 0.892035 0.589012} H2323 8875 0.0 -1 1 {} H 0.0 {0.651349 0.932815 0.6977} H2324 8876 0.0 -1 1 {} H 0.0 {0.660811 0.852353 0.848621} H2325 8877 0.0 -1 1 {} H 0.0 {0.684319 0.92503 0.274376} H2326 8878 0.0 -1 1 {} H 0.0 {0.735829 0.915481 0.0961045} H2327 8879 0.0 -1 1 {} H 0.0 {0.690449 0.857875 0.53762} H2328 8880 0.0 -1 1 {} H 0.0 {0.665769 0.904222 0.750976} H2329 8881 0.0 -1 8 {} O 0.0 {0.651288 0.925736 0.667195} O4753 8882 0.0 -1 8 {} O 0.0 {0.636783 0.903089 0.294275} O4754 8883 0.0 -1 8 {} O 0.0 {0.657121 0.922382 0.329196} O4755 8884 0.0 -1 1 {} H 0.0 {0.733491 0.939706 0.427553} H2330 8885 0.0 -1 1 {} H 0.0 {0.504508 0.94139 0.901658} H2331 8886 0.0 -1 1 {} H 0.0 {0.641724 0.867216 0.77414} H2332 8887 0.0 -1 1 {} H 0.0 {0.825772 0.0532288 0.19136} H2333 8888 0.0 -1 1 {} H 0.0 {0.852331 0.953043 0.485391} H2334 8889 0.0 -1 1 {} H 0.0 {0.578458 0.938238 0.744912} H2335 8890 0.0 -1 8 {} O 0.0 {0.730801 0.892784 0.847072} O4756 8891 0.0 -1 8 {} O 0.0 {0.501967 0.935361 0.875973} O4757 8892 0.0 -1 8 {} O 0.0 {0.718778 0.887697 0.552336} O4758 8893 0.0 -1 8 {} O 0.0 {0.855312 0.946592 0.24884} O4759 8894 0.0 -1 8 {} O 0.0 {0.815942 0.926658 0.744685} O4760 8895 0.0 -1 1 {} H 0.0 {0.392487 0.930933 0.109287} H2336 8896 0.0 -1 1 {} H 0.0 {0.740574 0.922454 0.742589} H2337 8897 0.0 -1 1 {} H 0.0 {0.321481 0.939561 0.794965} H2338 8898 0.0 -1 1 {} H 0.0 {0.573152 0.0233255 0.699133} H2339 8899 0.0 -1 1 {} H 0.0 {0.630643 0.871394 0.482939} H2340 8900 0.0 -1 1 {} H 0.0 {0.716825 0.879281 0.55251} H2341 8901 0.0 -1 1 {} H 0.0 {0.81375 0.91902 0.737581} H2342 8902 0.0 -1 1 {} H 0.0 {0.716412 0.887436 0.775715} H2343 8903 0.0 -1 1 {} H 0.0 {0.836895 0.937101 0.190799} H2344 8904 0.0 -1 1 {} H 0.0 {0.643108 0.828634 0.954288} H2345 8905 0.0 -1 1 {} H 0.0 {0.701487 0.119624 0.734347} H2346 8906 0.0 -1 8 {} O 0.0 {0.666782 0.901857 0.706642} O4761 8907 0.0 -1 8 {} O 0.0 {0.593209 0.942738 0.568047} O4762 8908 0.0 -1 8 {} O 0.0 {0.83742 0.935897 0.135608} O4763 8909 0.0 -1 1 {} H 0.0 {0.61257 0.888605 0.21989} H2347 8910 0.0 -1 1 {} H 0.0 {0.761123 0.92452 0.217029} H2348 8911 0.0 -1 1 {} H 0.0 {0.576613 0.906186 0.542958} H2349 8912 0.0 -1 1 {} H 0.0 {0.575533 0.0253027 0.717353} H2350 8913 0.0 -1 1 {} H 0.0 {0.351346 0.908497 0.449195} H2351 8914 0.0 -1 1 {} H 0.0 {0.600104 0.89877 0.710465} H2352 8915 0.0 -1 8 {} O 0.0 {0.734803 0.945308 0.915017} O4764 8916 0.0 -1 8 {} O 0.0 {0.681605 0.862487 0.0662756} O4765 8917 0.0 -1 8 {} O 0.0 {0.631173 0.862104 0.486195} O4766 8918 0.0 -1 8 {} O 0.0 {0.346244 0.923887 0.968147} O4767 8919 0.0 -1 8 {} O 0.0 {0.578386 0.869959 0.467043} O4768 8920 0.0 -1 1 {} H 0.0 {0.668984 0.892199 0.214167} H2353 8921 0.0 -1 1 {} H 0.0 {0.516392 0.95225 0.198783} H2354 8922 0.0 -1 1 {} H 0.0 {0.52363 0.832111 0.0651098} H2355 8923 0.0 -1 1 {} H 0.0 {0.708936 0.946811 0.43603} H2356 8924 0.0 -1 1 {} H 0.0 {0.54826 0.906441 0.128944} H2357 8925 0.0 -1 1 {} H 0.0 {0.731321 0.940898 0.906296} H2358 8926 0.0 -1 1 {} H 0.0 {0.69939 0.908523 0.994709} H2359 8927 0.0 -1 1 {} H 0.0 {0.78661 0.93787 0.749027} H2360 8928 0.0 -1 1 {} H 0.0 {0.773922 0.947362 0.857414} H2361 8929 0.0 -1 1 {} H 0.0 {0.6381 0.928756 0.0486458} H2362 8930 0.0 -1 1 {} H 0.0 {0.564275 0.909268 0.305693} H2363 8931 0.0 -1 8 {} O 0.0 {0.535139 0.82749 0.941645} O4769 8932 0.0 -1 8 {} O 0.0 {0.610163 0.826484 0.0361826} O4770 8933 0.0 -1 8 {} O 0.0 {0.775751 0.942933 0.89362} O4771 8934 0.0 -1 1 {} H 0.0 {0.522052 0.921817 0.051286} H2364 8935 0.0 -1 1 {} H 0.0 {0.461997 0.857785 0.699889} H2365 8936 0.0 -1 1 {} H 0.0 {0.675682 0.944244 0.533818} H2366 8937 0.0 -1 1 {} H 0.0 {0.724573 0.935939 0.354287} H2367 8938 0.0 -1 1 {} H 0.0 {0.752986 0.942516 0.427689} H2368 8939 0.0 -1 1 {} H 0.0 {0.637134 0.882724 0.688868} H2369 8940 0.0 -1 8 {} O 0.0 {0.425909 0.863611 0.48746} O4772 8941 0.0 -1 8 {} O 0.0 {0.519444 0.94769 0.183408} O4773 8942 0.0 -1 8 {} O 0.0 {0.712686 0.921763 0.300936} O4774 8943 0.0 -1 8 {} O 0.0 {0.754988 0.935371 0.446485} O4775 8944 0.0 -1 8 {} O 0.0 {0.677701 0.893563 0.441352} O4776 8945 0.0 -1 1 {} H 0.0 {0.546035 0.917206 0.657583} H2370 8946 0.0 -1 1 {} H 0.0 {0.399856 0.9475 0.783382} H2371 8947 0.0 -1 1 {} H 0.0 {0.636281 0.801586 0.706798} H2372 8948 0.0 -1 1 {} H 0.0 {0.505718 0.0331867 0.622382} H2373 8949 0.0 -1 1 {} H 0.0 {0.59477 0.798821 0.993784} H2374 8950 0.0 -1 1 {} H 0.0 {0.654451 0.89043 0.563352} H2375 8951 0.0 -1 1 {} H 0.0 {0.615536 0.899135 0.926397} H2376 8952 0.0 -1 1 {} H 0.0 {0.681511 0.861634 0.111967} H2377 8953 0.0 -1 1 {} H 0.0 {0.71105 0.92617 0.576336} H2378 8954 0.0 -1 1 {} H 0.0 {0.531707 0.830428 0.957661} H2379 8955 0.0 -1 1 {} H 0.0 {0.558334 0.9449 0.228519} H2380 8956 0.0 -1 8 {} O 0.0 {0.567715 0.912194 0.326161} O4777 8957 0.0 -1 8 {} O 0.0 {0.613069 0.891967 0.918698} O4778 8958 0.0 -1 8 {} O 0.0 {0.674707 0.942684 0.579545} O4779 8959 0.0 -1 1 {} H 0.0 {0.719459 0.939231 0.549827} H2381 8960 0.0 -1 1 {} H 0.0 {0.411595 0.938725 0.920658} H2382 8961 0.0 -1 1 {} H 0.0 {0.818354 0.944791 0.497456} H2383 8962 0.0 -1 1 {} H 0.0 {0.502679 0.0335822 0.616374} H2384 8963 0.0 -1 1 {} H 0.0 {0.488292 0.933481 0.944139} H2385 8964 0.0 -1 1 {} H 0.0 {0.623516 0.934332 0.231657} H2386 8965 0.0 -1 8 {} O 0.0 {0.71564 0.942217 0.559867} O4780 8966 0.0 -1 8 {} O 0.0 {0.414781 0.944759 0.914828} O4781 8967 0.0 -1 8 {} O 0.0 {0.603862 0.933948 0.886686} O4782 8968 0.0 -1 8 {} O 0.0 {0.646851 0.883296 0.043623} O4783 8969 0.0 -1 8 {} O 0.0 {0.555013 0.950116 0.223704} O4784 8970 0.0 -1 1 {} H 0.0 {0.281972 0.934718 0.206344} H2387 8971 0.0 -1 1 {} H 0.0 {0.6982 0.894738 0.218102} H2388 8972 0.0 -1 1 {} H 0.0 {0.335719 0.118442 0.7342} H2389 8973 0.0 -1 1 {} H 0.0 {0.767295 0.932802 0.356697} H2390 8974 0.0 -1 1 {} H 0.0 {0.637787 0.857368 0.611768} H2391 8975 0.0 -1 1 {} H 0.0 {0.812104 0.943996 0.499866} H2392 8976 0.0 -1 1 {} H 0.0 {0.388848 0.925687 0.261634} H2393 8977 0.0 -1 1 {} H 0.0 {0.66772 0.896157 0.943884} H2394 8978 0.0 -1 1 {} H 0.0 {0.345724 0.920576 0.145912} H2395 8979 0.0 -1 1 {} H 0.0 {0.593924 0.830795 0.676141} H2396 8980 0.0 -1 1 {} H 0.0 {0.415087 0.942455 0.418054} H2397 8981 0.0 -1 8 {} O 0.0 {0.81522 0.942026 0.524932} O4785 8982 0.0 -1 8 {} O 0.0 {0.386352 0.918289 0.267318} O4786 8983 0.0 -1 8 {} O 0.0 {0.348608 0.915861 0.123485} O4787 8984 0.0 -1 1 {} H 0.0 {0.737007 0.936086 0.481612} H2398 8985 0.0 -1 1 {} H 0.0 {0.452418 0.869245 0.64877} H2399 8986 0.0 -1 1 {} H 0.0 {0.298314 0.940965 0.880148} H2400 8987 0.0 -1 1 {} H 0.0 {0.348181 0.917187 0.0798488} H2401 8988 0.0 -1 1 {} H 0.0 {0.253309 0.939762 0.511433} H2402 8989 0.0 -1 1 {} H 0.0 {0.568594 0.862149 0.0768717} H2403 8990 0.0 -1 8 {} O 0.0 {0.426721 0.855997 0.988543} O4788 8991 0.0 -1 8 {} O 0.0 {0.61453 0.944785 0.586993} O4789 8992 0.0 -1 8 {} O 0.0 {0.643755 0.825518 0.256556} O4790 8993 0.0 -1 8 {} O 0.0 {0.51956 0.86495 0.283555} O4791 8994 0.0 -1 8 {} O 0.0 {0.739109 0.873769 0.830315} O4792 8995 0.0 -1 1 {} H 0.0 {0.581997 0.819365 0.958722} H2404 8996 0.0 -1 1 {} H 0.0 {0.419816 0.944743 0.744273} H2405 8997 0.0 -1 8 {} O 0.0 {0.432747 0.943544 0.90947} O4793 8998 0.0 -1 1 {} H 0.0 {0.469147 0.919513 0.723092} H2406 8999 0.0 -1 1 {} H 0.0 {0.633604 0.850901 0.789874} H2407 9000 0.0 -1 8 {} O 0.0 {0.554248 0.885974 0.625453} O4794 9001 0.0 -1 8 {} O 0.0 {0.633975 0.859492 0.614168} O4795 9002 0.0 -1 1 {} H 0.0 {0.573125 0.192685 0.847524} H2408 9003 0.0 -1 1 {} H 0.0 {0.728266 0.134416 0.890151} H2409 9004 0.0 -1 1 {} H 0.0 {0.673826 0.00366248 0.793229} H2410 9005 0.0 -1 1 {} H 0.0 {0.68879 0.141277 0.888685} H2411 9006 0.0 -1 1 {} H 0.0 {0.777456 0.11703 0.0596976} H2412 9007 0.0 -1 8 {} O 0.0 {0.759152 0.141411 0.409259} O4796 9008 0.0 -1 8 {} O 0.0 {0.781409 0.115499 0.0487394} O4797 9009 0.0 -1 1 {} H 0.0 {0.77638 0.116577 0.394768} H2413 9010 0.0 -1 1 {} H 0.0 {0.723709 0.102728 0.323283} H2414 9011 0.0 -1 1 {} H 0.0 {0.834355 0.108522 0.728868} H2415 9012 0.0 -1 1 {} H 0.0 {0.737462 0.0345868 0.0211278} H2416 9013 0.0 -1 1 {} H 0.0 {0.716877 0.0983601 0.0553584} H2417 9014 0.0 -1 1 {} H 0.0 {0.702232 0.0788424 0.68753} H2418 9015 0.0 -1 1 {} H 0.0 {0.696112 0.14409 0.515163} H2419 9016 0.0 -1 1 {} H 0.0 {0.688152 0.0954477 0.074691} H2420 9017 0.0 -1 1 {} H 0.0 {0.754262 0.120185 0.698374} H2421 9018 0.0 -1 1 {} H 0.0 {0.793414 0.114849 0.428505} H2422 9019 0.0 -1 1 {} H 0.0 {0.646796 0.162252 0.323923} H2423 9020 0.0 -1 8 {} O 0.0 {0.70371 0.08495 0.718741} O4798 9021 0.0 -1 8 {} O 0.0 {0.773265 0.114805 0.418945} O4799 9022 0.0 -1 8 {} O 0.0 {0.683439 0.0959878 0.755934} O4800 9023 0.0 -1 1 {} H 0.0 {0.684691 0.0973913 0.711354} H2424 9024 0.0 -1 1 {} H 0.0 {0.693005 0.114058 0.858854} H2425 9025 0.0 -1 1 {} H 0.0 {0.820045 0.103521 0.735472} H2426 9026 0.0 -1 1 {} H 0.0 {0.605577 0.148268 0.766695} H2427 9027 0.0 -1 1 {} H 0.0 {0.672846 0.0896777 0.599962} H2428 9028 0.0 -1 1 {} H 0.0 {0.699568 0.0977903 0.570829} H2429 9029 0.0 -1 8 {} O 0.0 {0.702894 0.127788 0.380783} O4801 9030 0.0 -1 8 {} O 0.0 {0.724115 0.131839 0.0275782} O4802 9031 0.0 -1 8 {} O 0.0 {0.769122 0.13305 0.944747} O4803 9032 0.0 -1 8 {} O 0.0 {0.695659 0.135557 0.499327} O4804 9033 0.0 -1 8 {} O 0.0 {0.664528 0.0946852 0.76923} O4805 9034 0.0 -1 1 {} H 0.0 {0.628316 0.180782 0.883152} H2430 9035 0.0 -1 1 {} H 0.0 {0.623813 0.171805 0.159929} H2431 9036 0.0 -1 1 {} H 0.0 {0.66294 0.115571 0.622384} H2432 9037 0.0 -1 1 {} H 0.0 {0.732957 0.00907725 0.785649} H2433 9038 0.0 -1 1 {} H 0.0 {0.593149 0.189874 0.795871} H2434 9039 0.0 -1 1 {} H 0.0 {0.665143 0.100227 0.308192} H2435 9040 0.0 -1 1 {} H 0.0 {0.706593 0.153245 0.891146} H2436 9041 0.0 -1 1 {} H 0.0 {0.638509 0.0969798 0.0460561} H2437 9042 0.0 -1 1 {} H 0.0 {0.800165 0.129706 0.205814} H2438 9043 0.0 -1 1 {} H 0.0 {0.69566 0.154055 0.75119} H2439 9044 0.0 -1 1 {} H 0.0 {0.623942 0.092674 0.687715} H2440 9045 0.0 -1 8 {} O 0.0 {0.816786 0.107747 0.433203} O4806 9046 0.0 -1 8 {} O 0.0 {0.613731 0.228268 0.0979694} O4807 9047 0.0 -1 8 {} O 0.0 {0.644158 0.0926495 0.7267} O4808 9048 0.0 -1 1 {} H 0.0 {0.644998 0.0918155 0.679548} H2441 9049 0.0 -1 1 {} H 0.0 {0.689325 0.100361 0.613298} H2442 9050 0.0 -1 1 {} H 0.0 {0.729801 0.0928987 0.913396} H2443 9051 0.0 -1 1 {} H 0.0 {0.634931 0.0999518 0.945463} H2444 9052 0.0 -1 1 {} H 0.0 {0.629176 0.207872 0.284926} H2445 9053 0.0 -1 1 {} H 0.0 {0.73533 0.0359606 0.0472395} H2446 9054 0.0 -1 8 {} O 0.0 {0.626227 0.112111 0.561346} O4809 9055 0.0 -1 8 {} O 0.0 {0.676868 0.148949 0.594994} O4810 9056 0.0 -1 8 {} O 0.0 {0.630162 0.211893 0.622669} O4811 9057 0.0 -1 8 {} O 0.0 {0.633036 0.109693 0.742997} O4812 9058 0.0 -1 8 {} O 0.0 {0.635498 0.100781 0.0221456} O4813 9059 0.0 -1 1 {} H 0.0 {0.652493 0.10848 0.0331591} H2447 9060 0.0 -1 1 {} H 0.0 {0.545964 0.122649 0.586208} H2448 9061 0.0 -1 1 {} H 0.0 {0.62893 0.114112 0.0676904} H2449 9062 0.0 -1 1 {} H 0.0 {0.630522 0.150314 0.763753} H2450 9063 0.0 -1 1 {} H 0.0 {0.677075 0.108808 0.561141} H2451 9064 0.0 -1 1 {} H 0.0 {0.62973 0.0962494 0.72642} H2452 9065 0.0 -1 1 {} H 0.0 {0.645952 0.164197 0.410092} H2453 9066 0.0 -1 1 {} H 0.0 {0.62633 0.165981 0.582253} H2454 9067 0.0 -1 1 {} H 0.0 {0.675906 0.134804 0.257409} H2455 9068 0.0 -1 1 {} H 0.0 {0.757672 0.127149 0.53995} H2456 9069 0.0 -1 1 {} H 0.0 {0.60468 0.0981855 0.71431} H2457 9070 0.0 -1 8 {} O 0.0 {0.627774 0.0881548 0.701938} O4814 9071 0.0 -1 8 {} O 0.0 {0.733252 0.136153 0.529899} O4815 9072 0.0 -1 8 {} O 0.0 {0.669698 0.125806 0.45401} O4816 9073 0.0 -1 1 {} H 0.0 {0.601471 0.0984866 0.939502} H2458 9074 0.0 -1 1 {} H 0.0 {0.6024 0.136649 0.620957} H2459 9075 0.0 -1 1 {} H 0.0 {0.634267 0.199019 0.022418} H2460 9076 0.0 -1 1 {} H 0.0 {0.632218 0.171199 0.305411} H2461 9077 0.0 -1 1 {} H 0.0 {0.609691 0.131407 0.943183} H2462 9078 0.0 -1 1 {} H 0.0 {0.734745 0.00351637 0.772189} H2463 9079 0.0 -1 8 {} O 0.0 {0.616356 0.197537 0.616544} O4817 9080 0.0 -1 8 {} O 0.0 {0.694434 0.167502 0.88527} O4818 9081 0.0 -1 8 {} O 0.0 {0.609005 0.164126 0.886821} O4819 9082 0.0 -1 8 {} O 0.0 {0.644125 0.230364 0.140893} O4820 9083 0.0 -1 8 {} O 0.0 {0.606438 0.106432 0.272247} O4821 9084 0.0 -1 1 {} H 0.0 {0.643225 0.0958786 0.550894} H2464 9085 0.0 -1 1 {} H 0.0 {0.64993 0.176375 0.805895} H2465 9086 0.0 -1 1 {} H 0.0 {0.6183 0.225144 0.420869} H2466 9087 0.0 -1 1 {} H 0.0 {0.632386 0.134057 0.0847667} H2467 9088 0.0 -1 1 {} H 0.0 {0.633764 0.147905 0.0552121} H2468 9089 0.0 -1 1 {} H 0.0 {0.50385 0.173363 0.514975} H2469 9090 0.0 -1 1 {} H 0.0 {0.68352 0.140669 0.428055} H2470 9091 0.0 -1 1 {} H 0.0 {0.736143 0.122604 0.0020749} H2471 9092 0.0 -1 1 {} H 0.0 {0.588208 0.16249 0.897428} H2472 9093 0.0 -1 1 {} H 0.0 {0.785822 0.122968 0.0942236} H2473 9094 0.0 -1 1 {} H 0.0 {0.619977 0.120316 0.688955} H2474 9095 0.0 -1 8 {} O 0.0 {0.606397 0.0970604 0.757147} O4822 9096 0.0 -1 8 {} O 0.0 {0.764579 0.104051 0.590387} O4823 9097 0.0 -1 8 {} O 0.0 {0.755305 0.11185 0.139504} O4824 9098 0.0 -1 1 {} H 0.0 {0.685063 0.153021 0.167015} H2475 9099 0.0 -1 1 {} H 0.0 {0.592728 0.138979 0.216871} H2476 9100 0.0 -1 1 {} H 0.0 {0.595943 0.161143 0.786825} H2477 9101 0.0 -1 1 {} H 0.0 {0.656323 0.130605 0.244287} H2478 9102 0.0 -1 1 {} H 0.0 {0.576689 0.228732 0.0515913} H2479 9103 0.0 -1 1 {} H 0.0 {0.621523 0.120108 0.397979} H2480 9104 0.0 -1 8 {} O 0.0 {0.503577 0.163696 0.504389} O4825 9105 0.0 -1 8 {} O 0.0 {0.580633 0.118413 0.390512} O4826 9106 0.0 -1 8 {} O 0.0 {0.579687 0.115367 0.600583} O4827 9107 0.0 -1 8 {} O 0.0 {0.585692 0.0871881 0.715174} O4828 9108 0.0 -1 8 {} O 0.0 {0.468819 0.128248 0.700089} O4829 9109 0.0 -1 1 {} H 0.0 {0.597287 0.212765 0.86471} H2481 9110 0.0 -1 1 {} H 0.0 {0.615351 0.119242 0.837455} H2482 9111 0.0 -1 1 {} H 0.0 {0.504973 0.104723 0.540073} H2483 9112 0.0 -1 1 {} H 0.0 {0.49149 0.0398519 0.345806} H2484 9113 0.0 -1 1 {} H 0.0 {0.561563 0.200133 0.618179} H2485 9114 0.0 -1 1 {} H 0.0 {0.579166 0.1102 0.112805} H2486 9115 0.0 -1 1 {} H 0.0 {0.538001 0.156019 0.256092} H2487 9116 0.0 -1 1 {} H 0.0 {0.631973 0.178178 0.467594} H2488 9117 0.0 -1 1 {} H 0.0 {0.560589 0.095843 0.721534} H2489 9118 0.0 -1 1 {} H 0.0 {0.639221 0.178097 0.0189353} H2490 9119 0.0 -1 1 {} H 0.0 {0.607667 0.0960237 0.932983} H2491 9120 0.0 -1 8 {} O 0.0 {0.554104 0.115262 0.838609} O4830 9121 0.0 -1 8 {} O 0.0 {0.517401 0.142806 0.736912} O4831 9122 0.0 -1 8 {} O 0.0 {0.545188 0.0880357 0.7135} O4832 9123 0.0 -1 1 {} H 0.0 {0.541593 0.0930532 0.714548} H2492 9124 0.0 -1 1 {} H 0.0 {0.632605 0.197842 0.321776} H2493 9125 0.0 -1 1 {} H 0.0 {0.558477 0.121026 0.569887} H2494 9126 0.0 -1 1 {} H 0.0 {0.528121 0.150568 0.593093} H2495 9127 0.0 -1 1 {} H 0.0 {0.590808 0.178229 0.359756} H2496 9128 0.0 -1 1 {} H 0.0 {0.579594 0.203548 0.277242} H2497 9129 0.0 -1 8 {} O 0.0 {0.635614 0.178673 0.664174} O4833 9130 0.0 -1 8 {} O 0.0 {0.608537 0.212887 0.534119} O4834 9131 0.0 -1 8 {} O 0.0 {0.56453 0.100087 0.272556} O4835 9132 0.0 -1 8 {} O 0.0 {0.564415 0.0945958 0.736143} O4836 9133 0.0 -1 8 {} O 0.0 {0.451895 0.14294 0.745465} O4837 9134 0.0 -1 1 {} H 0.0 {0.662855 0.165675 0.438927} H2498 9135 0.0 -1 1 {} H 0.0 {0.61117 0.227226 0.374817} H2499 9136 0.0 -1 1 {} H 0.0 {0.376141 0.128285 0.749432} H2500 9137 0.0 -1 1 {} H 0.0 {0.523214 0.0978856 0.745661} H2501 9138 0.0 -1 1 {} H 0.0 {0.539917 0.184244 0.145236} H2502 9139 0.0 -1 1 {} H 0.0 {0.551736 0.112422 0.959522} H2503 9140 0.0 -1 1 {} H 0.0 {0.48693 0.12596 0.991772} H2504 9141 0.0 -1 1 {} H 0.0 {0.474847 0.164671 0.298685} H2505 9142 0.0 -1 1 {} H 0.0 {0.612035 0.108169 0.0305825} H2506 9143 0.0 -1 1 {} H 0.0 {0.291201 0.122686 0.194022} H2507 9144 0.0 -1 1 {} H 0.0 {0.649978 0.153664 0.649759} H2508 9145 0.0 -1 8 {} O 0.0 {0.550953 0.114358 0.00372422} O4838 9146 0.0 -1 8 {} O 0.0 {0.563706 0.106364 0.605799} O4839 9147 0.0 -1 8 {} O 0.0 {0.497077 0.183875 0.856622} O4840 9148 0.0 -1 1 {} H 0.0 {0.572486 0.172283 0.770882} H2509 9149 0.0 -1 1 {} H 0.0 {0.601753 0.132896 0.347241} H2510 9150 0.0 -1 1 {} H 0.0 {0.546386 0.120345 0.80798} H2511 9151 0.0 -1 1 {} H 0.0 {0.64749 0.109351 0.857237} H2512 9152 0.0 -1 1 {} H 0.0 {0.551149 0.146396 0.011419} H2513 9153 0.0 -1 1 {} H 0.0 {0.494209 0.0367453 0.341854} H2514 9154 0.0 -1 8 {} O 0.0 {0.469331 0.136441 0.36691} O4841 9155 0.0 -1 8 {} O 0.0 {0.602929 0.134744 0.303298} O4842 9156 0.0 -1 8 {} O 0.0 {0.458474 0.15037 0.958757} O4843 9157 0.0 -1 8 {} O 0.0 {0.560018 0.127532 0.0757607} O4844 9158 0.0 -1 8 {} O 0.0 {0.592898 0.200096 0.0125929} O4845 9159 0.0 -1 1 {} H 0.0 {0.536368 0.105753 0.917687} H2515 9160 0.0 -1 1 {} H 0.0 {0.500778 0.0853903 0.347597} H2516 9161 0.0 -1 1 {} H 0.0 {0.703342 0.0932129 0.907376} H2517 9162 0.0 -1 8 {} O 0.0 {0.524662 0.0893436 0.732412} O4846 9163 0.0 -1 8 {} O 0.0 {0.623934 0.176553 0.202857} O4847 9164 0.0 -1 1 {} H 0.0 {0.507313 0.0993595 0.725438} H2518 9165 0.0 -1 1 {} H 0.0 {0.5865 0.176876 0.222868} H2519 9166 0.0 -1 8 {} O 0.0 {0.502339 0.090488 0.38474} O4848 9167 0.0 -1 8 {} O 0.0 {0.503582 0.0954466 0.742502} O4849 9168 0.0 -1 1 {} H 0.0 {0.763644 0.0959309 0.568113} H2520 9169 0.0 -1 1 {} H 0.0 {0.771034 0.0997309 0.39895} H2521 9170 0.0 -1 1 {} H 0.0 {0.841134 0.0866658 0.73345} H2522 9171 0.0 -1 1 {} H 0.0 {0.796794 0.107467 0.931775} H2523 9172 0.0 -1 8 {} O 0.0 {0.725448 0.0944446 0.740217} O4850 9173 0.0 -1 1 {} H 0.0 {0.750343 0.0935532 0.384831} H2524 9174 0.0 -1 1 {} H 0.0 {0.802839 0.0943929 0.0735594} H2525 9175 0.0 -1 1 {} H 0.0 {0.828024 0.0895702 0.340467} H2526 9176 0.0 -1 8 {} O 0.0 {0.74662 0.0939221 0.405716} O4851 9177 0.0 -1 8 {} O 0.0 {0.806349 0.0927681 0.0928144} O4852 9178 0.0 -1 8 {} O 0.0 {0.751722 0.127043 0.670916} O4853 9179 0.0 -1 1 {} H 0.0 {0.672215 0.141186 0.467269} H2527 9180 0.0 -1 1 {} H 0.0 {0.826704 0.105559 0.742894} H2528 9181 0.0 -1 1 {} H 0.0 {0.798192 0.116636 0.0370903} H2529 9182 0.0 -1 1 {} H 0.0 {0.633972 0.21357 0.618518} H2530 9183 0.0 -1 1 {} H 0.0 {0.77551 0.117058 0.750993} H2531 9184 0.0 -1 1 {} H 0.0 {0.837917 0.947199 0.856965} H2532 9185 0.0 -1 1 {} H 0.0 {0.724495 0.153283 0.184337} H2533 9186 0.0 -1 1 {} H 0.0 {0.783958 0.938035 0.420336} H2534 9187 0.0 -1 1 {} H 0.0 {0.791621 0.104956 0.227259} H2535 9188 0.0 -1 1 {} H 0.0 {0.708859 0.115685 0.87799} H2536 9189 0.0 -1 1 {} H 0.0 {0.888252 0.101596 0.0397298} H2537 9190 0.0 -1 1 {} H 0.0 {0.724922 0.112874 0.56692} H2538 9191 0.0 -1 1 {} H 0.0 {0.72612 0.0988724 0.263603} H2539 9192 0.0 -1 1 {} H 0.0 {0.89013 0.0895292 0.999538} H2540 9193 0.0 -1 1 {} H 0.0 {0.93697 0.939 0.182643} H2541 9194 0.0 -1 1 {} H 0.0 {0.710425 0.112704 0.176113} H2542 9195 0.0 -1 8 {} O 0.0 {0.788322 0.109797 0.233361} O4854 9196 0.0 -1 8 {} O 0.0 {0.935649 0.940756 0.226029} O4855 9197 0.0 -1 8 {} O 0.0 {0.886808 0.0926232 0.02291} O4856 9198 0.0 -1 8 {} O 0.0 {0.673403 0.151365 0.477204} O4857 9199 0.0 -1 1 {} H 0.0 {0.628025 0.134632 0.927569} H2543 9200 0.0 -1 1 {} H 0.0 {0.700471 0.167245 0.280396} H2544 9201 0.0 -1 1 {} H 0.0 {0.683502 0.0998942 0.603273} H2545 9202 0.0 -1 1 {} H 0.0 {0.702564 0.114013 0.817681} H2546 9203 0.0 -1 1 {} H 0.0 {0.75627 0.133849 0.27576} H2547 9204 0.0 -1 1 {} H 0.0 {0.842034 0.935362 0.719939} H2548 9205 0.0 -1 1 {} H 0.0 {0.760604 0.118206 0.590398} H2549 9206 0.0 -1 1 {} H 0.0 {0.70628 0.140918 0.367138} H2550 9207 0.0 -1 8 {} O 0.0 {0.677958 0.141895 0.229228} O4858 9208 0.0 -1 8 {} O 0.0 {0.823488 0.0987562 0.719726} O4859 9209 0.0 -1 8 {} O 0.0 {0.705283 0.160302 0.828531} O4860 9210 0.0 -1 8 {} O 0.0 {0.597855 0.131768 0.418371} O4861 9211 0.0 -1 8 {} O 0.0 {0.676909 0.117608 0.547833} O4862 9212 0.0 -1 8 {} O 0.0 {0.835046 0.946778 0.889548} O4863 9213 0.0 -1 8 {} O 0.0 {0.75948 0.127414 0.581745} O4864 9214 0.0 -1 8 {} O 0.0 {0.707616 0.15125 0.356959} O4865 9215 0.0 -1 1 {} H 0.0 {0.763355 0.108366 0.302528} H2551 9216 0.0 -1 1 {} H 0.0 {0.452721 0.135309 0.768868} H2552 9217 0.0 -1 1 {} H 0.0 {0.641457 0.131661 0.386294} H2553 9218 0.0 -1 1 {} H 0.0 {0.563292 0.874294 0.126016} H2554 9219 0.0 -1 1 {} H 0.0 {0.617059 0.167386 0.558485} H2555 9220 0.0 -1 1 {} H 0.0 {0.646953 0.134832 0.699525} H2556 9221 0.0 -1 1 {} H 0.0 {0.55069 0.164067 0.86344} H2557 9222 0.0 -1 1 {} H 0.0 {0.622585 0.939387 0.756177} H2558 9223 0.0 -1 1 {} H 0.0 {0.616809 0.0963463 0.640749} H2559 9224 0.0 -1 1 {} H 0.0 {0.750393 0.103691 0.586022} H2560 9225 0.0 -1 1 {} H 0.0 {0.572742 0.123082 0.405346} H2561 9226 0.0 -1 1 {} H 0.0 {0.712799 0.135763 0.128183} H2562 9227 0.0 -1 1 {} H 0.0 {0.852848 0.0787552 0.702022} H2563 9228 0.0 -1 1 {} H 0.0 {0.506421 0.868185 0.57105} H2564 9229 0.0 -1 1 {} H 0.0 {0.717111 0.11272 0.408636} H2565 9230 0.0 -1 1 {} H 0.0 {0.593268 0.145045 0.14061} H2566 9231 0.0 -1 8 {} O 0.0 {0.694847 0.143867 0.067012} O4866 9232 0.0 -1 8 {} O 0.0 {0.676633 0.123447 0.889788} O4867 9233 0.0 -1 8 {} O 0.0 {0.508128 0.859111 0.576349} O4868 9234 0.0 -1 8 {} O 0.0 {0.727192 0.0964695 0.941945} O4869 9235 0.0 -1 1 {} H 0.0 {0.640638 0.113343 0.229447} H2567 9236 0.0 -1 1 {} H 0.0 {0.714568 0.101788 0.987879} H2568 9237 0.0 -1 1 {} H 0.0 {0.686618 0.853001 0.444577} H2569 9238 0.0 -1 1 {} H 0.0 {0.724847 0.936741 0.481075} H2570 9239 0.0 -1 1 {} H 0.0 {0.693521 0.951214 0.503274} H2571 9240 0.0 -1 1 {} H 0.0 {0.625008 0.119805 0.330993} H2572 9241 0.0 -1 1 {} H 0.0 {0.653959 0.118397 0.148837} H2573 9242 0.0 -1 1 {} H 0.0 {0.685538 0.108153 0.970406} H2574 9243 0.0 -1 8 {} O 0.0 {0.613342 0.166233 0.576397} O4870 9244 0.0 -1 8 {} O 0.0 {0.484472 0.121335 0.788895} O4871 9245 0.0 -1 8 {} O 0.0 {0.674495 0.918878 0.351588} O4872 9246 0.0 -1 8 {} O 0.0 {0.585667 0.169446 0.897604} O4873 9247 0.0 -1 8 {} O 0.0 {0.606859 0.863968 0.125199} O4874 9248 0.0 -1 8 {} O 0.0 {0.647421 0.15697 0.368418} O4875 9249 0.0 -1 8 {} O 0.0 {0.618031 0.0990794 0.683809} O4876 9250 0.0 -1 8 {} O 0.0 {0.661732 0.162816 0.639582} O4877 9251 0.0 -1 1 {} H 0.0 {0.646032 0.199763 0.0818338} H2575 9252 0.0 -1 1 {} H 0.0 {0.548829 0.156073 0.0980681} H2576 9253 0.0 -1 1 {} H 0.0 {0.67698 0.934138 0.810431} H2577 9254 0.0 -1 1 {} H 0.0 {0.832518 0.107059 0.800861} H2578 9255 0.0 -1 1 {} H 0.0 {0.666351 0.142018 0.719704} H2579 9256 0.0 -1 1 {} H 0.0 {0.604971 0.192176 0.259582} H2580 9257 0.0 -1 1 {} H 0.0 {0.694079 0.134741 0.0986117} H2581 9258 0.0 -1 1 {} H 0.0 {0.481625 0.828615 0.172663} H2582 9259 0.0 -1 1 {} H 0.0 {0.813814 0.096315 0.0609217} H2583 9260 0.0 -1 1 {} H 0.0 {0.55713 0.185333 0.995441} H2584 9261 0.0 -1 1 {} H 0.0 {0.69781 0.161715 0.593713} H2585 9262 0.0 -1 1 {} H 0.0 {0.739089 0.114303 0.443868} H2586 9263 0.0 -1 1 {} H 0.0 {0.588163 0.230247 0.27728} H2587 9264 0.0 -1 1 {} H 0.0 {0.698771 0.147536 0.0807422} H2588 9265 0.0 -1 1 {} H 0.0 {0.628245 0.203368 0.47798} H2589 9266 0.0 -1 1 {} H 0.0 {0.769241 0.119021 0.146111} H2590 9267 0.0 -1 8 {} O 0.0 {0.816081 0.100816 0.0314159} O4878 9268 0.0 -1 8 {} O 0.0 {0.517983 0.150227 0.856869} O4879 9269 0.0 -1 8 {} O 0.0 {0.736839 0.11396 0.0780161} O4880 9270 0.0 -1 8 {} O 0.0 {0.6547 0.137186 0.834285} O4881 9271 0.0 -1 1 {} H 0.0 {0.779182 0.91772 0.884802} H2591 9272 0.0 -1 1 {} H 0.0 {0.521562 0.156142 0.463029} H2592 9273 0.0 -1 1 {} H 0.0 {0.67814 0.939581 0.257647} H2593 9274 0.0 -1 1 {} H 0.0 {0.644275 0.162883 0.23762} H2594 9275 0.0 -1 1 {} H 0.0 {0.53058 0.846674 0.535499} H2595 9276 0.0 -1 1 {} H 0.0 {0.73828 0.0979326 0.383977} H2596 9277 0.0 -1 1 {} H 0.0 {0.645176 0.121935 0.212066} H2597 9278 0.0 -1 1 {} H 0.0 {0.692756 0.158801 0.875248} H2598 9279 0.0 -1 8 {} O 0.0 {0.781493 0.91337 0.857282} O4882 9280 0.0 -1 8 {} O 0.0 {0.511627 0.150228 0.549675} O4883 9281 0.0 -1 8 {} O 0.0 {0.67586 0.948476 0.244263} O4884 9282 0.0 -1 8 {} O 0.0 {0.770378 0.120666 0.102037} O4885 9283 0.0 -1 8 {} O 0.0 {0.695015 0.934619 0.777955} O4886 9284 0.0 -1 8 {} O 0.0 {0.6521 0.158522 0.928298} O4887 9285 0.0 -1 8 {} O 0.0 {0.624796 0.134809 0.952994} O4888 9286 0.0 -1 8 {} O 0.0 {0.791076 0.11279 0.463762} O4889 9287 0.0 -1 1 {} H 0.0 {0.644182 0.149286 0.365626} H2599 9288 0.0 -1 1 {} H 0.0 {0.617183 0.138529 0.95661} H2600 9289 0.0 -1 1 {} H 0.0 {0.681386 0.951442 0.11756} H2601 9290 0.0 -1 1 {} H 0.0 {0.705918 0.0973388 0.969919} H2602 9291 0.0 -1 1 {} H 0.0 {0.584138 0.0829121 0.676065} H2603 9292 0.0 -1 1 {} H 0.0 {0.692185 0.878459 0.512585} H2604 9293 0.0 -1 1 {} H 0.0 {0.76937 0.150795 0.0509143} H2605 9294 0.0 -1 1 {} H 0.0 {0.678176 0.920361 0.280147} H2606 9295 0.0 -1 1 {} H 0.0 {0.613904 0.119563 0.4593} H2607 9296 0.0 -1 1 {} H 0.0 {0.513403 0.150379 0.908705} H2608 9297 0.0 -1 1 {} H 0.0 {0.676078 0.107246 0.753641} H2609 9298 0.0 -1 1 {} H 0.0 {0.625417 0.18889 0.748378} H2610 9299 0.0 -1 1 {} H 0.0 {0.663848 0.15042 0.280397} H2611 9300 0.0 -1 1 {} H 0.0 {0.64057 0.133312 0.489514} H2612 9301 0.0 -1 1 {} H 0.0 {0.547462 0.188577 0.756235} H2613 9302 0.0 -1 1 {} H 0.0 {0.521607 0.164376 0.528185} H2614 9303 0.0 -1 8 {} O 0.0 {0.723626 0.105069 0.276649} O4890 9304 0.0 -1 8 {} O 0.0 {0.606812 0.16547 0.13943} O4891 9305 0.0 -1 8 {} O 0.0 {0.62896 0.200134 0.186766} O4892 9306 0.0 -1 8 {} O 0.0 {0.664109 0.159829 0.274338} O4893 9307 0.0 -1 1 {} H 0.0 {0.615571 0.197078 0.0313165} H2615 9308 0.0 -1 1 {} H 0.0 {0.600629 0.177869 0.575845} H2616 9309 0.0 -1 1 {} H 0.0 {0.646458 0.117442 0.413243} H2617 9310 0.0 -1 1 {} H 0.0 {0.550752 0.13976 0.200872} H2618 9311 0.0 -1 1 {} H 0.0 {0.54442 0.81577 0.543152} H2619 9312 0.0 -1 1 {} H 0.0 {0.67512 0.846644 0.734696} H2620 9313 0.0 -1 1 {} H 0.0 {0.450649 0.136658 0.100096} H2621 9314 0.0 -1 1 {} H 0.0 {0.699385 0.126481 0.661243} H2622 9315 0.0 -1 8 {} O 0.0 {0.56388 0.171673 0.197295} O4894 9316 0.0 -1 8 {} O 0.0 {0.639671 0.169987 0.0436444} O4895 9317 0.0 -1 8 {} O 0.0 {0.699683 0.112161 0.789171} O4896 9318 0.0 -1 8 {} O 0.0 {0.655311 0.115489 0.0432252} O4897 9319 0.0 -1 8 {} O 0.0 {0.566796 0.877386 0.0313661} O4898 9320 0.0 -1 8 {} O 0.0 {0.672658 0.847761 0.769326} O4899 9321 0.0 -1 8 {} O 0.0 {0.643848 0.113097 0.853004} O4900 9322 0.0 -1 8 {} O 0.0 {0.583702 0.232704 0.779046} O4901 9323 0.0 -1 1 {} H 0.0 {0.363743 0.118514 0.805791} H2623 9324 0.0 -1 1 {} H 0.0 {0.535867 0.100562 0.675743} H2624 9325 0.0 -1 1 {} H 0.0 {0.487266 0.108654 0.908912} H2625 9326 0.0 -1 1 {} H 0.0 {0.671963 0.122416 0.493233} H2626 9327 0.0 -1 1 {} H 0.0 {0.804143 0.940327 0.42251} H2627 9328 0.0 -1 1 {} H 0.0 {0.56985 0.170835 0.83773} H2628 9329 0.0 -1 1 {} H 0.0 {0.554159 0.107993 0.870399} H2629 9330 0.0 -1 1 {} H 0.0 {0.576153 0.909042 0.860594} H2630 9331 0.0 -1 1 {} H 0.0 {0.638339 0.172926 0.729438} H2631 9332 0.0 -1 1 {} H 0.0 {0.599586 0.223296 0.904227} H2632 9333 0.0 -1 1 {} H 0.0 {0.562436 0.869532 0.745536} H2633 9334 0.0 -1 1 {} H 0.0 {0.732078 0.124882 0.200214} H2634 9335 0.0 -1 1 {} H 0.0 {0.602412 0.159976 0.511273} H2635 9336 0.0 -1 1 {} H 0.0 {0.48589 0.842423 0.756732} H2636 9337 0.0 -1 1 {} H 0.0 {0.585525 0.216953 0.478797} H2637 9338 0.0 -1 1 {} H 0.0 {0.608211 0.168852 0.177736} H2638 9339 0.0 -1 8 {} O 0.0 {0.527177 0.159915 0.590341} O4902 9340 0.0 -1 8 {} O 0.0 {0.554784 0.102869 0.704109} O4903 9341 0.0 -1 8 {} O 0.0 {0.485425 0.841657 0.70959} O4904 9342 0.0 -1 8 {} O 0.0 {0.588421 0.224527 0.23847} O4905 9343 0.0 -1 1 {} H 0.0 {0.614762 0.930565 0.754274} H2639 9344 0.0 -1 1 {} H 0.0 {0.668209 0.132403 0.144639} H2640 9345 0.0 -1 1 {} H 0.0 {0.592499 0.211996 0.478797} H2641 9346 0.0 -1 1 {} H 0.0 {0.634708 0.191324 0.917632} H2642 9347 0.0 -1 1 {} H 0.0 {0.574476 0.141065 0.827207} H2643 9348 0.0 -1 1 {} H 0.0 {0.551614 0.129651 0.618869} H2644 9349 0.0 -1 1 {} H 0.0 {0.615613 0.186624 0.956527} H2645 9350 0.0 -1 1 {} H 0.0 {0.532721 0.150993 0.0132745} H2646 9351 0.0 -1 8 {} O 0.0 {0.663259 0.0935826 0.964853} O4906 9352 0.0 -1 8 {} O 0.0 {0.795444 0.937868 0.564181} O4907 9353 0.0 -1 8 {} O 0.0 {0.596344 0.212428 0.694236} O4908 9354 0.0 -1 8 {} O 0.0 {0.50396 0.105318 0.921649} O4909 9355 0.0 -1 8 {} O 0.0 {0.755058 0.932619 0.140205} O4910 9356 0.0 -1 8 {} O 0.0 {0.627079 0.160274 0.985468} O4911 9357 0.0 -1 8 {} O 0.0 {0.598245 0.16318 0.895461} O4912 9358 0.0 -1 8 {} O 0.0 {0.566594 0.142485 0.534724} O4913 9359 0.0 -1 1 {} H 0.0 {0.634889 0.053966 0.78858} H2647 9360 0.0 -1 1 {} H 0.0 {0.575704 0.147444 0.201342} H2648 9361 0.0 -1 1 {} H 0.0 {0.607578 0.129582 0.552746} H2649 9362 0.0 -1 1 {} H 0.0 {0.640045 0.89406 0.536565} H2650 9363 0.0 -1 1 {} H 0.0 {0.50807 0.136882 0.624885} H2651 9364 0.0 -1 1 {} H 0.0 {0.570654 0.147582 0.959113} H2652 9365 0.0 -1 1 {} H 0.0 {0.53558 0.150255 0.827094} H2653 9366 0.0 -1 1 {} H 0.0 {0.695093 0.942679 0.204302} H2654 9367 0.0 -1 1 {} H 0.0 {0.629551 0.205009 0.658943} H2655 9368 0.0 -1 1 {} H 0.0 {0.54877 0.107319 0.0196364} H2656 9369 0.0 -1 1 {} H 0.0 {0.285449 0.924199 0.965851} H2657 9370 0.0 -1 1 {} H 0.0 {0.507151 0.143268 0.231328} H2658 9371 0.0 -1 1 {} H 0.0 {0.470872 0.16901 0.688163} H2659 9372 0.0 -1 1 {} H 0.0 {0.289533 0.919529 0.906099} H2660 9373 0.0 -1 1 {} H 0.0 {0.643354 0.170781 0.0643856} H2661 9374 0.0 -1 1 {} H 0.0 {0.411813 0.168187 0.554706} H2662 9375 0.0 -1 8 {} O 0.0 {0.756979 0.101368 0.369423} O4914 9376 0.0 -1 8 {} O 0.0 {0.756865 0.943003 0.247172} O4915 9377 0.0 -1 8 {} O 0.0 {0.289115 0.924985 0.943127} O4916 9378 0.0 -1 8 {} O 0.0 {0.506022 0.113088 0.558302} O4917 9379 0.0 -1 1 {} H 0.0 {0.603867 0.109112 0.630429} H2663 9380 0.0 -1 1 {} H 0.0 {0.516906 0.0956731 0.371893} H2664 9381 0.0 -1 1 {} H 0.0 {0.596542 0.156287 0.0740252} H2665 9382 0.0 -1 1 {} H 0.0 {0.673511 0.150598 0.615824} H2666 9383 0.0 -1 1 {} H 0.0 {0.608489 0.131989 0.649046} H2667 9384 0.0 -1 1 {} H 0.0 {0.556992 0.102784 0.389175} H2668 9385 0.0 -1 1 {} H 0.0 {0.488201 0.185794 0.821086} H2669 9386 0.0 -1 1 {} H 0.0 {0.566231 0.195536 0.550237} H2670 9387 0.0 -1 8 {} O 0.0 {0.604195 0.0996573 0.632897} O4918 9388 0.0 -1 8 {} O 0.0 {0.63996 0.138055 0.354104} O4919 9389 0.0 -1 8 {} O 0.0 {0.547243 0.129587 0.622409} O4920 9390 0.0 -1 8 {} O 0.0 {0.613581 0.145771 0.662968} O4921 9391 0.0 -1 8 {} O 0.0 {0.468611 0.86018 0.107283} O4922 9392 0.0 -1 8 {} O 0.0 {0.543792 0.105513 0.267293} O4923 9393 0.0 -1 8 {} O 0.0 {0.68047 0.131979 0.111558} O4924 9394 0.0 -1 8 {} O 0.0 {0.575542 0.198644 0.0715996} O4925 9395 0.0 -1 1 {} H 0.0 {0.512733 0.154472 0.595881} H2671 9396 0.0 -1 1 {} H 0.0 {0.617108 0.141668 0.672186} H2672 9397 0.0 -1 1 {} H 0.0 {0.498297 0.122677 0.347712} H2673 9398 0.0 -1 1 {} H 0.0 {0.298947 0.938403 0.247327} H2674 9399 0.0 -1 8 {} O 0.0 {0.516848 0.192108 0.572996} O4926 9400 0.0 -1 8 {} O 0.0 {0.473262 0.853078 0.540553} O4927 9401 0.0 -1 1 {} H 0.0 {0.629862 0.110647 0.567636} H2675 9402 0.0 -1 1 {} H 0.0 {0.781835 0.934858 0.0887561} H2676 9403 0.0 -1 1 {} H 0.0 {0.711482 0.123614 0.217134} H2677 9404 0.0 -1 8 {} O 0.0 {0.596962 0.195992 0.792204} O4928 9405 0.0 -1 8 {} O 0.0 {0.481427 0.127828 0.212198} O4929 9406 0.0 -1 8 {} O 0.0 {0.670515 0.157839 0.181097} O4930 9407 0.0 -1 1 {} H 0.0 {0.497662 0.859551 0.150191} H2678 9408 0.0 -1 1 {} H 0.0 {0.716095 0.920456 0.134682} H2679 9409 0.0 -1 1 {} H 0.0 {0.774041 0.102343 0.574618} H2680 9410 0.0 -1 1 {} H 0.0 {0.190401 0.943156 0.108035} H2681 9411 0.0 -1 8 {} O 0.0 {0.777372 0.103101 0.69884} O4931 9412 0.0 -1 1 {} H 0.0 {0.771767 0.954378 0.508915} H2682 9413 0.0 -1 1 {} H 0.0 {0.479626 0.892217 0.341849} H2683 9414 0.0 -1 1 {} H 0.0 {0.774311 0.0979272 0.708791} H2684 9415 0.0 -1 8 {} O 0.0 {0.694786 0.931633 0.425294} O4932 9416 0.0 -1 8 {} O 0.0 {0.437113 0.872228 0.408165} O4933 9417 0.0 -1 8 {} O 0.0 {0.196025 0.935321 0.129164} O4934 9418 0.0 -1 1 {} H 0.0 {0.771421 0.912482 0.602015} H2685 9419 0.0 -1 1 {} H 0.0 {0.661631 0.952348 0.46239} H2686 9420 0.0 -1 1 {} H 0.0 {0.69524 0.92808 0.466059} H2687 9421 0.0 -1 1 {} H 0.0 {0.739336 0.909695 0.704576} H2688 9422 0.0 -1 1 {} H 0.0 {0.684285 0.151703 0.373135} H2689 9423 0.0 -1 1 {} H 0.0 {0.730725 0.917301 0.24268} H2690 9424 0.0 -1 1 {} H 0.0 {0.705142 0.119635 0.387182} H2691 9425 0.0 -1 1 {} H 0.0 {0.629096 0.894214 0.420506} H2692 9426 0.0 -1 1 {} H 0.0 {0.485441 0.85661 0.118303} H2693 9427 0.0 -1 1 {} H 0.0 {0.663992 0.150239 0.652383} H2694 9428 0.0 -1 1 {} H 0.0 {0.661247 0.831668 0.450052} H2695 9429 0.0 -1 1 {} H 0.0 {0.597247 0.903497 0.804736} H2696 9430 0.0 -1 1 {} H 0.0 {0.656168 0.885997 0.696035} H2697 9431 0.0 -1 1 {} H 0.0 {0.687074 0.867127 0.406371} H2698 9432 0.0 -1 1 {} H 0.0 {0.844595 0.0882264 0.00907086} H2699 9433 0.0 -1 1 {} H 0.0 {0.678744 0.867192 0.23117} H2700 9434 0.0 -1 8 {} O 0.0 {0.696956 0.85046 0.7734} O4935 9435 0.0 -1 8 {} O 0.0 {0.695481 0.142015 0.83485} O4936 9436 0.0 -1 8 {} O 0.0 {0.661864 0.920418 0.00578026} O4937 9437 0.0 -1 8 {} O 0.0 {0.601072 0.921156 0.203383} O4938 9438 0.0 -1 1 {} H 0.0 {0.604289 0.130384 0.483844} H2701 9439 0.0 -1 1 {} H 0.0 {0.65453 0.934173 0.612832} H2702 9440 0.0 -1 1 {} H 0.0 {0.633642 0.859116 0.451638} H2703 9441 0.0 -1 1 {} H 0.0 {0.601093 0.861998 0.0626653} H2704 9442 0.0 -1 1 {} H 0.0 {0.569999 0.193301 0.419133} H2705 9443 0.0 -1 1 {} H 0.0 {0.692509 0.928107 0.562287} H2706 9444 0.0 -1 1 {} H 0.0 {0.695293 0.940006 0.816904} H2707 9445 0.0 -1 1 {} H 0.0 {0.80988 0.925979 0.251967} H2708 9446 0.0 -1 8 {} O 0.0 {0.608682 0.222898 0.334195} O4939 9447 0.0 -1 8 {} O 0.0 {0.655328 0.942186 0.584451} O4940 9448 0.0 -1 8 {} O 0.0 {0.611852 0.121101 0.816649} O4941 9449 0.0 -1 8 {} O 0.0 {0.598919 0.865155 0.025381} O4942 9450 0.0 -1 8 {} O 0.0 {0.703192 0.125073 0.683354} O4943 9451 0.0 -1 8 {} O 0.0 {0.439786 0.838234 0.743679} O4944 9452 0.0 -1 8 {} O 0.0 {0.62488 0.848393 0.138838} O4945 9453 0.0 -1 8 {} O 0.0 {0.773739 0.948217 0.537022} O4946 9454 0.0 -1 1 {} H 0.0 {0.81903 0.950843 0.136916} H2709 9455 0.0 -1 1 {} H 0.0 {0.609773 0.939749 0.916408} H2710 9456 0.0 -1 1 {} H 0.0 {0.469271 0.13284 0.776412} H2711 9457 0.0 -1 1 {} H 0.0 {0.467823 0.834788 0.171132} H2712 9458 0.0 -1 1 {} H 0.0 {0.46999 0.82453 0.0802517} H2713 9459 0.0 -1 1 {} H 0.0 {0.552928 0.848461 0.448918} H2714 9460 0.0 -1 1 {} H 0.0 {0.726328 0.880675 0.876249} H2715 9461 0.0 -1 1 {} H 0.0 {0.638469 0.910266 0.776638} H2716 9462 0.0 -1 1 {} H 0.0 {0.768794 0.931541 0.556871} H2717 9463 0.0 -1 1 {} H 0.0 {0.665608 0.937615 0.045307} H2718 9464 0.0 -1 1 {} H 0.0 {0.584963 0.836949 0.154139} H2719 9465 0.0 -1 1 {} H 0.0 {0.608484 0.823437 0.776141} H2720 9466 0.0 -1 1 {} H 0.0 {0.64156 0.938765 0.88258} H2721 9467 0.0 -1 1 {} H 0.0 {0.678173 0.921803 0.513018} H2722 9468 0.0 -1 1 {} H 0.0 {0.746122 0.909732 0.0825391} H2723 9469 0.0 -1 1 {} H 0.0 {0.674009 0.15192 0.201087} H2724 9470 0.0 -1 8 {} O 0.0 {0.766855 0.923188 0.560218} O4947 9471 0.0 -1 8 {} O 0.0 {0.655419 0.944004 0.2266} O4948 9472 0.0 -1 8 {} O 0.0 {0.586992 0.844227 0.136874} O4949 9473 0.0 -1 8 {} O 0.0 {0.605354 0.828956 0.77696} O4950 9474 0.0 -1 1 {} H 0.0 {0.580164 0.108558 0.183601} H2725 9475 0.0 -1 1 {} H 0.0 {0.673297 0.856411 0.785556} H2726 9476 0.0 -1 1 {} H 0.0 {0.622484 0.852363 0.369339} H2727 9477 0.0 -1 1 {} H 0.0 {0.616929 0.884454 0.750275} H2728 9478 0.0 -1 1 {} H 0.0 {0.600772 0.837175 0.199776} H2729 9479 0.0 -1 1 {} H 0.0 {0.483189 0.93851 0.167556} H2730 9480 0.0 -1 1 {} H 0.0 {0.6021 0.114324 0.141669} H2731 9481 0.0 -1 1 {} H 0.0 {0.647102 0.879393 0.744085} H2732 9482 0.0 -1 8 {} O 0.0 {0.554313 0.173401 0.797139} O4951 9483 0.0 -1 8 {} O 0.0 {0.613495 0.943332 0.917305} O4952 9484 0.0 -1 8 {} O 0.0 {0.715835 0.877699 0.783812} O4953 9485 0.0 -1 8 {} O 0.0 {0.620034 0.886996 0.721866} O4954 9486 0.0 -1 8 {} O 0.0 {0.594488 0.908106 0.82491} O4955 9487 0.0 -1 8 {} O 0.0 {0.483703 0.935846 0.212636} O4956 9488 0.0 -1 8 {} O 0.0 {0.604886 0.100498 0.958186} O4957 9489 0.0 -1 8 {} O 0.0 {0.586949 0.155141 0.686591} O4958 9490 0.0 -1 1 {} H 0.0 {0.588398 0.877691 0.216251} H2733 9491 0.0 -1 1 {} H 0.0 {0.54526 0.897497 0.831665} H2734 9492 0.0 -1 1 {} H 0.0 {0.7411 0.932374 0.956121} H2735 9493 0.0 -1 1 {} H 0.0 {0.852724 0.94024 0.265497} H2736 9494 0.0 -1 1 {} H 0.0 {0.685408 0.864003 0.0629964} H2737 9495 0.0 -1 1 {} H 0.0 {0.799712 0.94134 0.120107} H2738 9496 0.0 -1 1 {} H 0.0 {0.59949 0.863784 0.834688} H2739 9497 0.0 -1 1 {} H 0.0 {0.451423 0.917634 0.981941} H2740 9498 0.0 -1 1 {} H 0.0 {0.629606 0.814112 0.901414} H2741 9499 0.0 -1 1 {} H 0.0 {0.629346 0.910339 0.170358} H2742 9500 0.0 -1 1 {} H 0.0 {0.443647 0.943728 0.424864} H2743 9501 0.0 -1 1 {} H 0.0 {0.57813 0.872161 0.512367} H2744 9502 0.0 -1 1 {} H 0.0 {0.636896 0.156798 0.77878} H2745 9503 0.0 -1 1 {} H 0.0 {0.597232 0.84782 0.241859} H2746 9504 0.0 -1 1 {} H 0.0 {0.62792 0.922866 0.360808} H2747 9505 0.0 -1 1 {} H 0.0 {0.570516 0.910068 0.242796} H2748 9506 0.0 -1 8 {} O 0.0 {0.621483 0.855384 0.41029} O4959 9507 0.0 -1 8 {} O 0.0 {0.627436 0.913287 0.366664} O4960 9508 0.0 -1 8 {} O 0.0 {0.597035 0.839496 0.210303} O4961 9509 0.0 -1 8 {} O 0.0 {0.549924 0.162076 0.0647391} O4962 9510 0.0 -1 1 {} H 0.0 {0.580294 0.840126 0.990576} H2749 9511 0.0 -1 1 {} H 0.0 {0.589275 0.883269 0.284923} H2750 9512 0.0 -1 1 {} H 0.0 {0.597305 0.860793 0.760204} H2751 9513 0.0 -1 1 {} H 0.0 {0.543961 0.93847 0.825031} H2752 9514 0.0 -1 1 {} H 0.0 {0.621129 0.940873 0.414221} H2753 9515 0.0 -1 1 {} H 0.0 {0.558078 0.887586 0.614704} H2754 9516 0.0 -1 1 {} H 0.0 {0.454964 0.941859 0.079142} H2755 9517 0.0 -1 1 {} H 0.0 {0.666139 0.909614 0.679708} H2756 9518 0.0 -1 8 {} O 0.0 {0.657932 0.826948 0.718428} O4963 9519 0.0 -1 8 {} O 0.0 {0.481307 0.82752 0.125086} O4964 9520 0.0 -1 8 {} O 0.0 {0.635494 0.769543 0.731275} O4965 9521 0.0 -1 8 {} O 0.0 {0.543254 0.934907 0.866447} O4966 9522 0.0 -1 8 {} O 0.0 {0.562613 0.850224 0.627457} O4967 9523 0.0 -1 8 {} O 0.0 {0.776702 0.927784 0.442796} O4968 9524 0.0 -1 8 {} O 0.0 {0.723142 0.876008 0.889308} O4969 9525 0.0 -1 8 {} O 0.0 {0.621609 0.892209 0.325633} O4970 9526 0.0 -1 1 {} H 0.0 {0.53627 0.835975 0.867053} H2757 9527 0.0 -1 1 {} H 0.0 {0.576858 0.198289 0.906102} H2758 9528 0.0 -1 1 {} H 0.0 {0.395193 0.917259 0.846829} H2759 9529 0.0 -1 1 {} H 0.0 {0.642101 0.843327 0.763137} H2760 9530 0.0 -1 1 {} H 0.0 {0.614589 0.196662 0.424899} H2761 9531 0.0 -1 1 {} H 0.0 {0.646281 0.919258 0.230651} H2762 9532 0.0 -1 1 {} H 0.0 {0.537058 0.899774 0.333117} H2763 9533 0.0 -1 1 {} H 0.0 {0.566009 0.847637 0.607483} H2764 9534 0.0 -1 1 {} H 0.0 {0.640166 0.783407 0.800977} H2765 9535 0.0 -1 1 {} H 0.0 {0.709625 0.102709 0.581686} H2766 9536 0.0 -1 1 {} H 0.0 {0.565068 0.891443 0.652119} H2767 9537 0.0 -1 1 {} H 0.0 {0.407979 0.885908 0.788966} H2768 9538 0.0 -1 1 {} H 0.0 {0.644227 0.91817 0.394149} H2769 9539 0.0 -1 1 {} H 0.0 {0.608342 0.855485 0.369218} H2770 9540 0.0 -1 1 {} H 0.0 {0.516492 0.879142 0.217731} H2771 9541 0.0 -1 1 {} H 0.0 {0.804492 0.0958802 0.265637} H2772 9542 0.0 -1 8 {} O 0.0 {0.680521 0.862616 0.920781} O4971 9543 0.0 -1 8 {} O 0.0 {0.514378 0.884356 0.183574} O4972 9544 0.0 -1 8 {} O 0.0 {0.565431 0.886228 0.612854} O4973 9545 0.0 -1 8 {} O 0.0 {0.644891 0.912016 0.429022} O4974 9546 0.0 -1 1 {} H 0.0 {0.632972 0.937792 0.436797} H2773 9547 0.0 -1 1 {} H 0.0 {0.591986 0.853396 0.640944} H2774 9548 0.0 -1 1 {} H 0.0 {0.599023 0.91622 0.23512} H2775 9549 0.0 -1 1 {} H 0.0 {0.51835 0.850699 0.220366} H2776 9550 0.0 -1 1 {} H 0.0 {0.596572 0.907092 0.605133} H2777 9551 0.0 -1 1 {} H 0.0 {0.410658 0.885856 0.716379} H2778 9552 0.0 -1 1 {} H 0.0 {0.590256 0.94344 0.894007} H2779 9553 0.0 -1 1 {} H 0.0 {0.66465 0.0960544 0.590056} H2780 9554 0.0 -1 8 {} O 0.0 {0.603182 0.899803 0.73937} O4975 9555 0.0 -1 8 {} O 0.0 {0.588759 0.849156 0.625937} O4976 9556 0.0 -1 8 {} O 0.0 {0.573157 0.89644 0.804496} O4977 9557 0.0 -1 8 {} O 0.0 {0.517475 0.846301 0.178482} O4978 9558 0.0 -1 8 {} O 0.0 {0.595696 0.906 0.649621} O4979 9559 0.0 -1 8 {} O 0.0 {0.408558 0.88044 0.748564} O4980 9560 0.0 -1 8 {} O 0.0 {0.596373 0.861369 0.808585} O4981 9561 0.0 -1 8 {} O 0.0 {0.682931 0.150221 0.420436} O4982 9562 0.0 -1 1 {} H 0.0 {0.44202 0.860933 0.831651} H2781 9563 0.0 -1 1 {} H 0.0 {0.460485 0.812414 0.911204} H2782 9564 0.0 -1 1 {} H 0.0 {0.550077 0.867276 0.221118} H2783 9565 0.0 -1 1 {} H 0.0 {0.441921 0.922954 0.576975} H2784 9566 0.0 -1 1 {} H 0.0 {0.755834 0.925169 0.108855} H2785 9567 0.0 -1 1 {} H 0.0 {0.590463 0.895899 0.677352} H2786 9568 0.0 -1 1 {} H 0.0 {0.506825 0.955354 0.225869} H2787 9569 0.0 -1 1 {} H 0.0 {0.530827 0.940055 0.0869949} H2788 9570 0.0 -1 1 {} H 0.0 {0.810081 0.100258 0.283056} H2789 9571 0.0 -1 1 {} H 0.0 {0.509429 0.188427 0.579965} H2790 9572 0.0 -1 1 {} H 0.0 {0.247294 0.933026 0.57778} H2791 9573 0.0 -1 1 {} H 0.0 {0.44888 0.890234 0.656511} H2792 9574 0.0 -1 1 {} H 0.0 {0.60957 0.832424 0.208685} H2793 9575 0.0 -1 1 {} H 0.0 {0.557168 0.909538 0.133773} H2794 9576 0.0 -1 1 {} H 0.0 {0.595812 0.184591 0.15458} H2795 9577 0.0 -1 1 {} H 0.0 {0.486479 0.831723 0.881281} H2796 9578 0.0 -1 8 {} O 0.0 {0.806461 0.103104 0.285622} O4983 9579 0.0 -1 8 {} O 0.0 {0.625404 0.153326 0.728538} O4984 9580 0.0 -1 8 {} O 0.0 {0.510068 0.849488 0.699896} O4985 9581 0.0 -1 8 {} O 0.0 {0.447574 0.88105 0.667213} O4986 9582 0.0 -1 1 {} H 0.0 {0.600608 0.954012 0.128767} H2797 9583 0.0 -1 1 {} H 0.0 {0.518351 0.942092 0.395112} H2798 9584 0.0 -1 1 {} H 0.0 {0.530239 0.862101 0.254752} H2799 9585 0.0 -1 1 {} H 0.0 {0.535179 0.931057 0.417392} H2800 9586 0.0 -1 1 {} H 0.0 {0.430449 0.942243 0.766918} H2801 9587 0.0 -1 1 {} H 0.0 {0.63599 0.899245 0.254725} H2802 9588 0.0 -1 1 {} H 0.0 {0.568232 0.867152 0.767913} H2803 9589 0.0 -1 1 {} H 0.0 {0.661045 0.861963 0.660472} H2804 9590 0.0 -1 8 {} O 0.0 {0.595514 0.947041 0.230231} O4987 9591 0.0 -1 8 {} O 0.0 {0.51154 0.9504 0.553717} O4988 9592 0.0 -1 8 {} O 0.0 {0.533374 0.866812 0.234904} O4989 9593 0.0 -1 8 {} O 0.0 {0.455771 0.879221 0.514804} O4990 9594 0.0 -1 8 {} O 0.0 {0.433564 0.938662 0.787229} O4991 9595 0.0 -1 8 {} O 0.0 {0.504099 0.890947 0.22278} O4992 9596 0.0 -1 8 {} O 0.0 {0.533648 0.89705 0.315845} O4993 9597 0.0 -1 8 {} O 0.0 {0.540129 0.865709 0.525721} O4994 9598 0.0 -1 1 {} H 0.0 {0.353304 0.0926077 0.0321889} H2805 9599 0.0 -1 1 {} H 0.0 {0.405963 0.894409 0.360377} H2806 9600 0.0 -1 1 {} H 0.0 {0.54552 0.913971 0.184576} H2807 9601 0.0 -1 1 {} H 0.0 {0.657081 0.832814 0.395765} H2808 9602 0.0 -1 1 {} H 0.0 {0.466239 0.868371 0.112809} H2809 9603 0.0 -1 1 {} H 0.0 {0.60676 0.901741 0.381182} H2810 9604 0.0 -1 1 {} H 0.0 {0.460734 0.172383 0.115662} H2811 9605 0.0 -1 1 {} H 0.0 {0.4144 0.940849 0.814407} H2812 9606 0.0 -1 1 {} H 0.0 {0.615677 0.936045 0.827637} H2813 9607 0.0 -1 1 {} H 0.0 {0.708377 0.953644 0.118201} H2814 9608 0.0 -1 1 {} H 0.0 {0.678285 0.939917 0.424521} H2815 9609 0.0 -1 1 {} H 0.0 {0.693202 0.896197 0.18298} H2816 9610 0.0 -1 1 {} H 0.0 {0.427498 0.855395 0.943087} H2817 9611 0.0 -1 1 {} H 0.0 {0.63548 0.892566 0.596322} H2818 9612 0.0 -1 1 {} H 0.0 {0.251377 0.942208 0.609721} H2819 9613 0.0 -1 1 {} H 0.0 {0.32488 0.934403 0.494462} H2820 9614 0.0 -1 8 {} O 0.0 {0.250912 0.93465 0.579593} O4995 9615 0.0 -1 8 {} O 0.0 {0.69479 0.942067 0.254008} O4996 9616 0.0 -1 8 {} O 0.0 {0.641744 0.819084 0.943674} O4997 9617 0.0 -1 8 {} O 0.0 {0.643867 0.807569 0.0604329} O4998 9618 0.0 -1 1 {} H 0.0 {0.639816 0.808675 0.0689183} H2821 9619 0.0 -1 1 {} H 0.0 {0.543351 0.942689 0.440313} H2822 9620 0.0 -1 1 {} H 0.0 {0.529076 0.901967 0.208951} H2823 9621 0.0 -1 1 {} H 0.0 {0.525127 0.909102 0.958561} H2824 9622 0.0 -1 1 {} H 0.0 {0.474805 0.937761 0.0826779} H2825 9623 0.0 -1 1 {} H 0.0 {0.415674 0.916531 0.0665741} H2826 9624 0.0 -1 1 {} H 0.0 {0.568422 0.816487 0.669767} H2827 9625 0.0 -1 1 {} H 0.0 {0.300257 0.922068 0.596756} H2828 9626 0.0 -1 8 {} O 0.0 {0.795883 0.940428 0.907762} O4999 9627 0.0 -1 8 {} O 0.0 {0.291007 0.932055 0.385407} O5000 9628 0.0 -1 8 {} O 0.0 {0.610104 0.84695 0.371263} O5001 9629 0.0 -1 8 {} O 0.0 {0.524965 0.918881 0.956067} O5002 9630 0.0 -1 8 {} O 0.0 {0.643032 0.83521 0.736683} O5003 9631 0.0 -1 8 {} O 0.0 {0.41963 0.916718 0.0648203} O5004 9632 0.0 -1 8 {} O 0.0 {0.568835 0.815022 0.624181} O5005 9633 0.0 -1 8 {} O 0.0 {0.318891 0.922685 0.615009} O5006 9634 0.0 -1 1 {} H 0.0 {0.37466 0.936867 0.397715} H2829 9635 0.0 -1 1 {} H 0.0 {0.612989 0.848653 0.402551} H2830 9636 0.0 -1 1 {} H 0.0 {0.668116 0.95532 0.791543} H2831 9637 0.0 -1 1 {} H 0.0 {0.610813 0.940115 0.58012} H2832 9638 0.0 -1 8 {} O 0.0 {0.716364 0.949482 0.208447} O5007 9639 0.0 -1 8 {} O 0.0 {0.445139 0.908686 0.444413} O5008 9640 0.0 -1 1 {} H 0.0 {0.528228 0.92275 0.953244} H2833 9641 0.0 -1 1 {} H 0.0 {0.452963 0.910214 0.0682188} H2834 9642 0.0 -1 1 {} H 0.0 {0.711491 0.928905 0.331227} H2835 9643 0.0 -1 8 {} O 0.0 {0.488624 0.835603 0.845631} O5009 9644 0.0 -1 8 {} O 0.0 {0.44499 0.783292 0.964337} O5010 9645 0.0 -1 8 {} O 0.0 {0.603816 0.90003 0.405782} O5011 9646 0.0 -1 1 {} H 0.0 {0.554043 0.876426 0.155452} H2836 9647 0.0 -1 1 {} H 0.0 {0.61489 0.941381 0.476877} H2837 9648 0.0 -1 1 {} H 0.0 {0.714193 0.934766 0.152897} H2838 9649 0.0 -1 8 {} O 0.0 {0.668752 0.90504 0.941583} O5012 9650 0.0 -1 1 {} H 0.0 {0.663491 0.865607 0.585685} H2839 9651 0.0 -1 1 {} H 0.0 {0.707723 0.906942 0.855581} H2840 9652 0.0 -1 8 {} O 0.0 {0.713369 0.925478 0.16044} O5013 9653 0.0 -1 1 {} H 0.0 {0.636813 0.898175 0.921305} H2841 9654 0.0 -1 1 {} H 0.0 {0.547309 0.839571 0.918028} H2842 9655 0.0 -1 1 {} H 0.0 {0.604956 0.874763 0.314742} H2843 9656 0.0 -1 1 {} H 0.0 {0.687678 0.919327 0.551917} H2844 9657 0.0 -1 1 {} H 0.0 {0.64347 0.875062 0.935941} H2845 9658 0.0 -1 1 {} H 0.0 {0.605572 0.906089 0.718044} H2846 9659 0.0 -1 1 {} H 0.0 {0.551908 0.919943 0.934582} H2847 9660 0.0 -1 1 {} H 0.0 {0.758427 0.935625 0.425039} H2848 9661 0.0 -1 1 {} H 0.0 {0.664235 0.826287 0.557071} H2849 9662 0.0 -1 1 {} H 0.0 {0.642381 0.902724 0.947768} H2850 9663 0.0 -1 1 {} H 0.0 {0.79529 0.933432 0.411453} H2851 9664 0.0 -1 8 {} O 0.0 {0.448124 0.880884 0.41133} O5014 9665 0.0 -1 8 {} O 0.0 {0.641728 0.904734 0.790958} O5015 9666 0.0 -1 8 {} O 0.0 {0.652215 0.905013 0.870021} O5016 9667 0.0 -1 1 {} H 0.0 {0.537017 0.884409 0.851983} H2852 9668 0.0 -1 1 {} H 0.0 {0.59306 0.808018 0.942716} H2853 9669 0.0 -1 1 {} H 0.0 {0.549994 0.909227 0.485948} H2854 9670 0.0 -1 1 {} H 0.0 {0.632338 0.911306 0.104547} H2855 9671 0.0 -1 1 {} H 0.0 {0.615247 0.867888 0.0244391} H2856 9672 0.0 -1 1 {} H 0.0 {0.777319 0.926173 0.729195} H2857 9673 0.0 -1 8 {} O 0.0 {0.535949 0.867478 0.893956} O5017 9674 0.0 -1 8 {} O 0.0 {0.578348 0.914328 0.887697} O5018 9675 0.0 -1 8 {} O 0.0 {0.630126 0.905579 0.130295} O5019 9676 0.0 -1 8 {} O 0.0 {0.633625 0.814863 0.0786432} O5020 9677 0.0 -1 8 {} O 0.0 {0.774567 0.920508 0.739371} O5021 9678 0.0 -1 1 {} H 0.0 {0.675771 0.870944 0.867356} H2858 9679 0.0 -1 1 {} H 0.0 {0.819365 0.938809 0.885695} H2859 9680 0.0 -1 1 {} H 0.0 {0.640472 0.906805 0.285137} H2860 9681 0.0 -1 1 {} H 0.0 {0.713279 0.878228 0.814895} H2861 9682 0.0 -1 1 {} H 0.0 {0.527069 0.889549 0.733279} H2862 9683 0.0 -1 1 {} H 0.0 {0.593306 0.914088 0.793439} H2863 9684 0.0 -1 1 {} H 0.0 {0.794966 0.922768 0.659047} H2864 9685 0.0 -1 1 {} H 0.0 {0.641622 0.818252 0.610567} H2865 9686 0.0 -1 1 {} H 0.0 {0.420113 0.875114 0.100809} H2866 9687 0.0 -1 1 {} H 0.0 {0.595731 0.850569 0.025482} H2867 9688 0.0 -1 1 {} H 0.0 {0.704559 0.935034 0.994234} H2868 9689 0.0 -1 8 {} O 0.0 {0.770388 0.923283 0.319796} O5022 9690 0.0 -1 8 {} O 0.0 {0.592246 0.845243 0.0166032} O5023 9691 0.0 -1 8 {} O 0.0 {0.448153 0.912237 0.129939} O5024 9692 0.0 -1 1 {} H 0.0 {0.794683 0.923762 0.727228} H2869 9693 0.0 -1 1 {} H 0.0 {0.597856 0.869005 0.50469} H2870 9694 0.0 -1 1 {} H 0.0 {0.706209 0.919038 0.176766} H2871 9695 0.0 -1 1 {} H 0.0 {0.53965 0.913483 0.957061} H2872 9696 0.0 -1 1 {} H 0.0 {0.647625 0.938824 0.406673} H2873 9697 0.0 -1 1 {} H 0.0 {0.654734 0.855839 0.0767602} H2874 9698 0.0 -1 8 {} O 0.0 {0.796887 0.920406 0.694993} O5025 9699 0.0 -1 8 {} O 0.0 {0.816065 0.943945 0.886938} O5026 9700 0.0 -1 8 {} O 0.0 {0.524712 0.896821 0.739123} O5027 9701 0.0 -1 8 {} O 0.0 {0.635667 0.941482 0.587933} O5028 9702 0.0 -1 8 {} O 0.0 {0.653432 0.886443 0.522646} O5029 9703 0.0 -1 1 {} H 0.0 {0.4735 0.86242 0.85866} H2875 9704 0.0 -1 1 {} H 0.0 {0.318976 0.942609 0.862124} H2876 9705 0.0 -1 1 {} H 0.0 {0.62967 0.86113 0.954241} H2877 9706 0.0 -1 1 {} H 0.0 {0.726549 0.921769 0.92775} H2878 9707 0.0 -1 1 {} H 0.0 {0.646179 0.884889 0.0892159} H2879 9708 0.0 -1 1 {} H 0.0 {0.649076 0.851589 0.635899} H2880 9709 0.0 -1 1 {} H 0.0 {0.704379 0.15419 0.317403} H2881 9710 0.0 -1 1 {} H 0.0 {0.665055 0.870854 0.85958} H2882 9711 0.0 -1 1 {} H 0.0 {0.390824 0.941085 0.774252} H2883 9712 0.0 -1 1 {} H 0.0 {0.66508 0.909093 0.874225} H2884 9713 0.0 -1 1 {} H 0.0 {0.533421 0.940501 0.194317} H2885 9714 0.0 -1 8 {} O 0.0 {0.667288 0.886669 0.246312} O5030 9715 0.0 -1 8 {} O 0.0 {0.645396 0.852039 0.618242} O5031 9716 0.0 -1 8 {} O 0.0 {0.415115 0.892801 0.999049} O5032 9717 0.0 -1 1 {} H 0.0 {0.691343 0.120329 0.62818} H2886 9718 0.0 -1 1 {} H 0.0 {0.414728 0.857872 0.0517456} H2887 9719 0.0 -1 1 {} H 0.0 {0.62379 0.845709 0.939653} H2888 9720 0.0 -1 1 {} H 0.0 {0.627232 0.826303 0.299825} H2889 9721 0.0 -1 1 {} H 0.0 {0.66118 0.894795 0.676244} H2890 9722 0.0 -1 1 {} H 0.0 {0.425433 0.872256 0.467153} H2891 9723 0.0 -1 8 {} O 0.0 {0.744522 0.109762 0.276692} O5033 9724 0.0 -1 8 {} O 0.0 {0.657414 0.884749 0.185696} O5034 9725 0.0 -1 8 {} O 0.0 {0.662923 0.908366 0.834297} O5035 9726 0.0 -1 8 {} O 0.0 {0.657732 0.890205 0.656933} O5036 9727 0.0 -1 8 {} O 0.0 {0.486465 0.924732 0.937557} O5037 9728 0.0 -1 1 {} H 0.0 {0.570301 0.192791 0.290577} H2892 9729 0.0 -1 1 {} H 0.0 {0.442641 0.83161 0.742041} H2893 9730 0.0 -1 1 {} H 0.0 {0.73284 0.88499 0.833551} H2894 9731 0.0 -1 1 {} H 0.0 {0.595776 0.915083 0.668367} H2895 9732 0.0 -1 1 {} H 0.0 {0.505069 0.883534 0.524138} H2896 9733 0.0 -1 1 {} H 0.0 {0.467133 0.887171 0.516468} H2897 9734 0.0 -1 1 {} H 0.0 {0.293219 0.939925 0.37131} H2898 9735 0.0 -1 1 {} H 0.0 {0.59905 0.902715 0.17676} H2899 9736 0.0 -1 1 {} H 0.0 {0.62516 0.85553 0.43014} H2900 9737 0.0 -1 1 {} H 0.0 {0.55589 0.952694 0.508474} H2901 9738 0.0 -1 1 {} H 0.0 {0.502857 0.82725 0.842235} H2902 9739 0.0 -1 8 {} O 0.0 {0.534429 0.940369 0.241037} O5038 9740 0.0 -1 8 {} O 0.0 {0.554108 0.947695 0.544451} O5039 9741 0.0 -1 8 {} O 0.0 {0.580529 0.896063 0.154079} O5040 9742 0.0 -1 1 {} H 0.0 {0.54304 0.870052 0.104294} H2903 9743 0.0 -1 1 {} H 0.0 {0.49347 0.92376 0.333854} H2904 9744 0.0 -1 1 {} H 0.0 {0.659271 0.941937 0.219259} H2905 9745 0.0 -1 1 {} H 0.0 {0.567311 0.926424 0.567172} H2906 9746 0.0 -1 1 {} H 0.0 {0.61901 0.92775 0.611201} H2907 9747 0.0 -1 1 {} H 0.0 {0.494347 0.940376 0.762573} H2908 9748 0.0 -1 8 {} O 0.0 {0.540861 0.871181 0.0644326} O5041 9749 0.0 -1 8 {} O 0.0 {0.609325 0.855365 0.746216} O5042 9750 0.0 -1 8 {} O 0.0 {0.544949 0.906858 0.154432} O5043 9751 0.0 -1 8 {} O 0.0 {0.785599 0.0874041 0.0565429} O5044 9752 0.0 -1 8 {} O 0.0 {0.563653 0.934675 0.219747} O5045 9753 0.0 -1 1 {} H 0.0 {0.488867 0.905396 0.799871} H2909 9754 0.0 -1 1 {} H 0.0 {0.502873 0.88478 0.769874} H2910 9755 0.0 -1 1 {} H 0.0 {0.7209 0.875979 0.852077} H2911 9756 0.0 -1 1 {} H 0.0 {0.436573 0.943443 0.771679} H2912 9757 0.0 -1 1 {} H 0.0 {0.565741 0.913385 0.963097} H2913 9758 0.0 -1 1 {} H 0.0 {0.536043 0.890457 0.75144} H2914 9759 0.0 -1 1 {} H 0.0 {0.57103 0.920111 0.186087} H2915 9760 0.0 -1 1 {} H 0.0 {0.62126 0.881081 0.447689} H2916 9761 0.0 -1 1 {} H 0.0 {0.612468 0.886026 0.834533} H2917 9762 0.0 -1 1 {} H 0.0 {0.664835 0.896852 0.303676} H2918 9763 0.0 -1 1 {} H 0.0 {0.487693 0.864992 0.381473} H2919 9764 0.0 -1 8 {} O 0.0 {0.595727 0.819129 0.29208} O5046 9765 0.0 -1 8 {} O 0.0 {0.633497 0.88338 0.668338} O5047 9766 0.0 -1 8 {} O 0.0 {0.611462 0.881757 0.793731} O5048 9767 0.0 -1 1 {} H 0.0 {0.553911 0.885635 0.711893} H2920 9768 0.0 -1 1 {} H 0.0 {0.501774 0.884351 0.839034} H2921 9769 0.0 -1 1 {} H 0.0 {0.50612 0.812166 0.77756} H2922 9770 0.0 -1 1 {} H 0.0 {0.562747 0.90628 0.0146942} H2923 9771 0.0 -1 1 {} H 0.0 {0.534928 0.829366 0.104792} H2924 9772 0.0 -1 1 {} H 0.0 {0.536753 0.937731 0.0945719} H2925 9773 0.0 -1 8 {} O 0.0 {0.571384 0.91068 0.19644} O5049 9774 0.0 -1 8 {} O 0.0 {0.503651 0.87974 0.808963} O5050 9775 0.0 -1 8 {} O 0.0 {0.566132 0.906894 0.994023} O5051 9776 0.0 -1 8 {} O 0.0 {0.532595 0.835996 0.137452} O5052 9777 0.0 -1 8 {} O 0.0 {0.53326 0.934067 0.106993} O5053 9778 0.0 -1 1 {} H 0.0 {0.4713 0.938445 0.419113} H2926 9779 0.0 -1 1 {} H 0.0 {0.509903 0.912687 0.857412} H2927 9780 0.0 -1 1 {} H 0.0 {0.645453 0.896295 0.177583} H2928 9781 0.0 -1 1 {} H 0.0 {0.644857 0.839052 0.699654} H2929 9782 0.0 -1 1 {} H 0.0 {0.578795 0.947469 0.89962} H2930 9783 0.0 -1 1 {} H 0.0 {0.38762 0.939823 0.938068} H2931 9784 0.0 -1 1 {} H 0.0 {0.592619 0.934032 0.402994} H2932 9785 0.0 -1 1 {} H 0.0 {0.383063 0.92701 0.79048} H2933 9786 0.0 -1 1 {} H 0.0 {0.821659 0.934571 0.39183} H2934 9787 0.0 -1 1 {} H 0.0 {0.456033 0.836173 0.737296} H2935 9788 0.0 -1 1 {} H 0.0 {0.626502 0.84876 0.87255} H2936 9789 0.0 -1 8 {} O 0.0 {0.435921 0.874116 0.19554} O5054 9790 0.0 -1 8 {} O 0.0 {0.382089 0.917449 0.78757} O5055 9791 0.0 -1 8 {} O 0.0 {0.836318 0.940491 0.258877} O5056 9792 0.0 -1 1 {} H 0.0 {0.381451 0.188363 0.780028} H2937 9793 0.0 -1 1 {} H 0.0 {0.583228 0.923694 0.522851} H2938 9794 0.0 -1 1 {} H 0.0 {0.448224 0.911415 0.47169} H2939 9795 0.0 -1 1 {} H 0.0 {0.573623 0.935025 0.820306} H2940 9796 0.0 -1 1 {} H 0.0 {0.537727 0.885134 0.680914} H2941 9797 0.0 -1 1 {} H 0.0 {0.521054 0.886923 0.918117} H2942 9798 0.0 -1 8 {} O 0.0 {0.595921 0.929481 0.400789} O5057 9799 0.0 -1 8 {} O 0.0 {0.583516 0.933594 0.533646} O5058 9800 0.0 -1 8 {} O 0.0 {0.574829 0.94771 0.903766} O5059 9801 0.0 -1 8 {} O 0.0 {0.535112 0.884241 0.7155} O5060 9802 0.0 -1 8 {} O 0.0 {0.444791 0.941327 0.507276} O5061 9803 0.0 -1 1 {} H 0.0 {0.67304 0.879068 0.463127} H2943 9804 0.0 -1 1 {} H 0.0 {0.703549 0.885636 0.777576} H2944 9805 0.0 -1 8 {} O 0.0 {0.624562 0.852809 0.907386} O5062 9806 0.0 -1 1 {} H 0.0 {0.487396 0.881619 0.327226} H2945 9807 0.0 -1 1 {} H 0.0 {0.301534 0.940162 0.775233} H2946 9808 0.0 -1 8 {} O 0.0 {0.490709 0.878046 0.348342} O5063 9809 0.0 -1 8 {} O 0.0 {0.391486 0.941787 0.933951} O5064 9810 0.0 -1 1 {} H 0.0 {0.82195 0.0874038 0.343718} H2947 9811 0.0 -1 1 {} H 0.0 {0.767091 0.136199 0.98205} H2948 9812 0.0 -1 1 {} H 0.0 {0.721068 0.118939 0.366417} H2949 9813 0.0 -1 1 {} H 0.0 {0.760606 0.114246 0.762431} H2950 9814 0.0 -1 1 {} H 0.0 {0.638083 0.137196 0.902933} H2951 9815 0.0 -1 8 {} O 0.0 {0.780383 0.137572 0.946026} O5065 9816 0.0 -1 1 {} H 0.0 {0.583909 0.116886 0.830568} H2952 9817 0.0 -1 1 {} H 0.0 {0.717389 0.139841 0.271198} H2953 9818 0.0 -1 1 {} H 0.0 {0.613315 0.139318 0.143813} H2954 9819 0.0 -1 1 {} H 0.0 {0.664065 0.0933668 0.0486932} H2955 9820 0.0 -1 8 {} O 0.0 {0.624908 0.174874 0.883118} O5066 9821 0.0 -1 1 {} H 0.0 {0.543366 0.117703 0.186006} H2956 9822 0.0 -1 1 {} H 0.0 {0.749228 0.12123 0.489375} H2957 9823 0.0 -1 1 {} H 0.0 {0.611216 0.206826 0.54969} H2958 9824 0.0 -1 1 {} H 0.0 {0.572272 0.206282 0.415156} H2959 9825 0.0 -1 8 {} O 0.0 {0.650158 0.178191 0.0619386} O5067 9826 0.0 -1 1 {} H 0.0 {0.577055 0.128567 0.607972} H2960 9827 0.0 -1 1 {} H 0.0 {0.572674 0.102867 0.990569} H2961 9828 0.0 -1 1 {} H 0.0 {0.663046 0.16917 0.678602} H2962 9829 0.0 -1 1 {} H 0.0 {0.558947 0.136792 0.931042} H2963 9830 0.0 -1 8 {} O 0.0 {0.623395 0.111744 0.856896} O5068 9831 0.0 -1 1 {} H 0.0 {0.538391 0.146113 0.461157} H2964 9832 0.0 -1 1 {} H 0.0 {0.555347 0.13181 0.865801} H2965 9833 0.0 -1 1 {} H 0.0 {0.62327 0.205529 0.405709} H2966 9834 0.0 -1 1 {} H 0.0 {0.735063 0.939899 0.218522} H2967 9835 0.0 -1 8 {} O 0.0 {0.525847 0.14855 0.401704} O5069 9836 0.0 -1 1 {} H 0.0 {0.52775 0.129401 0.631945} H2968 9837 0.0 -1 1 {} H 0.0 {0.508297 0.159118 0.943818} H2969 9838 0.0 -1 1 {} H 0.0 {0.476211 0.164915 0.0917724} H2970 9839 0.0 -1 1 {} H 0.0 {0.522836 0.138631 0.113822} H2971 9840 0.0 -1 8 {} O 0.0 {0.574887 0.138704 0.606396} O5070 9841 0.0 -1 1 {} H 0.0 {0.554606 0.212448 0.282984} H2972 9842 0.0 -1 8 {} O 0.0 {0.568526 0.147613 0.159929} O5071 9843 0.0 -1 1 {} H 0.0 {0.675468 0.00759051 0.770178} H2973 9844 0.0 -1 1 {} H 0.0 {0.666961 0.0994513 0.238046} H2974 9845 0.0 -1 1 {} H 0.0 {0.803609 0.0974298 0.727259} H2975 9846 0.0 -1 1 {} H 0.0 {0.721933 0.0973295 0.732437} H2976 9847 0.0 -1 8 {} O 0.0 {0.841962 0.0946832 0.710577} O5072 9848 0.0 -1 8 {} O 0.0 {0.831939 0.111875 0.759526} O5073 9849 0.0 -1 1 {} H 0.0 {0.67208 0.127371 0.358905} H2977 9850 0.0 -1 1 {} H 0.0 {0.841445 0.0916985 0.664106} H2978 9851 0.0 -1 1 {} H 0.0 {0.667519 0.150051 0.16498} H2979 9852 0.0 -1 1 {} H 0.0 {0.727425 0.138591 0.968264} H2980 9853 0.0 -1 1 {} H 0.0 {0.629964 0.925834 0.776122} H2981 9854 0.0 -1 1 {} H 0.0 {0.825482 0.0777062 0.992292} H2982 9855 0.0 -1 1 {} H 0.0 {0.806375 0.103302 0.360907} H2983 9856 0.0 -1 1 {} H 0.0 {0.590729 0.889454 0.0355155} H2984 9857 0.0 -1 1 {} H 0.0 {0.699065 0.190658 0.280378} H2985 9858 0.0 -1 1 {} H 0.0 {0.596214 0.872004 0.0383479} H2986 9859 0.0 -1 1 {} H 0.0 {0.615409 0.0951942 0.712577} H2987 9860 0.0 -1 8 {} O 0.0 {0.806206 0.0892298 0.725418} O5074 9861 0.0 -1 8 {} O 0.0 {0.64012 0.859449 0.800442} O5075 9862 0.0 -1 8 {} O 0.0 {0.735637 0.104234 0.369} O5076 9863 0.0 -1 1 {} H 0.0 {0.695274 0.122847 0.173511} H2988 9864 0.0 -1 1 {} H 0.0 {0.782632 0.127962 0.896253} H2989 9865 0.0 -1 1 {} H 0.0 {0.615793 0.211841 0.0549513} H2990 9866 0.0 -1 1 {} H 0.0 {0.785736 0.102968 0.220269} H2991 9867 0.0 -1 1 {} H 0.0 {0.736243 0.119245 0.11479} H2992 9868 0.0 -1 1 {} H 0.0 {0.914649 0.945336 0.0569848} H2993 9869 0.0 -1 8 {} O 0.0 {0.68454 0.0934748 0.0922953} O5077 9870 0.0 -1 8 {} O 0.0 {0.597576 0.199242 0.471821} O5078 9871 0.0 -1 8 {} O 0.0 {0.786088 0.0961192 0.387287} O5079 9872 0.0 -1 8 {} O 0.0 {0.82495 0.0914356 0.370412} O5080 9873 0.0 -1 8 {} O 0.0 {0.728495 0.123583 0.177192} O5081 9874 0.0 -1 1 {} H 0.0 {0.623805 0.118547 0.886683} H2994 9875 0.0 -1 1 {} H 0.0 {0.578428 0.100106 0.734759} H2995 9876 0.0 -1 1 {} H 0.0 {0.534846 0.0963413 0.742396} H2996 9877 0.0 -1 1 {} H 0.0 {0.658526 0.10984 0.0530529} H2997 9878 0.0 -1 1 {} H 0.0 {0.805187 0.927867 0.809037} H2998 9879 0.0 -1 1 {} H 0.0 {0.758156 0.107651 0.113469} H2999 9880 0.0 -1 1 {} H 0.0 {0.608288 0.855109 0.140844} H3000 9881 0.0 -1 1 {} H 0.0 {0.548747 0.924984 0.301061} H3001 9882 0.0 -1 1 {} H 0.0 {0.697761 0.149435 0.839443} H3002 9883 0.0 -1 1 {} H 0.0 {0.684703 0.00772026 0.182441} H3003 9884 0.0 -1 1 {} H 0.0 {0.670223 0.119672 0.0706716} H3004 9885 0.0 -1 8 {} O 0.0 {0.760718 0.137762 0.284903} O5082 9886 0.0 -1 8 {} O 0.0 {0.69509 0.947255 0.541267} O5083 9887 0.0 -1 8 {} O 0.0 {0.624866 0.12434 0.374389} O5084 9888 0.0 -1 1 {} H 0.0 {0.664083 0.164879 0.771525} H3005 9889 0.0 -1 1 {} H 0.0 {0.648253 0.119656 0.691992} H3006 9890 0.0 -1 1 {} H 0.0 {0.647195 0.0840447 0.0119028} H3007 9891 0.0 -1 1 {} H 0.0 {0.655754 0.130324 0.867295} H3008 9892 0.0 -1 1 {} H 0.0 {0.767155 0.138854 0.0902275} H3009 9893 0.0 -1 1 {} H 0.0 {0.643403 0.239261 0.134521} H3010 9894 0.0 -1 8 {} O 0.0 {0.774574 0.124229 0.784147} O5085 9895 0.0 -1 8 {} O 0.0 {0.66164 0.861074 0.518137} O5086 9896 0.0 -1 8 {} O 0.0 {0.686406 0.138688 0.921713} O5087 9897 0.0 -1 8 {} O 0.0 {0.722545 0.129684 0.535484} O5088 9898 0.0 -1 8 {} O 0.0 {0.646523 0.0888444 0.0503977} O5089 9899 0.0 -1 1 {} H 0.0 {0.645905 0.170612 0.506222} H3011 9900 0.0 -1 1 {} H 0.0 {0.541034 0.873163 0.552845} H3012 9901 0.0 -1 1 {} H 0.0 {0.81115 0.108182 0.737521} H3013 9902 0.0 -1 1 {} H 0.0 {0.67283 0.11628 0.3078} H3014 9903 0.0 -1 1 {} H 0.0 {0.608237 0.156433 0.134495} H3015 9904 0.0 -1 1 {} H 0.0 {0.683836 0.12701 0.123509} H3016 9905 0.0 -1 1 {} H 0.0 {0.829632 0.930292 0.896862} H3017 9906 0.0 -1 1 {} H 0.0 {0.805885 0.90085 0.758219} H3018 9907 0.0 -1 1 {} H 0.0 {0.632462 0.185256 0.675198} H3019 9908 0.0 -1 1 {} H 0.0 {0.736906 0.912631 0.953763} H3020 9909 0.0 -1 1 {} H 0.0 {0.589765 0.112361 0.25518} H3021 9910 0.0 -1 8 {} O 0.0 {0.64197 0.122719 0.234954} O5090 9911 0.0 -1 8 {} O 0.0 {0.522884 0.827724 0.103987} O5091 9912 0.0 -1 8 {} O 0.0 {0.619659 0.17908 0.749599} O5092 9913 0.0 -1 1 {} H 0.0 {0.602114 0.183039 0.678941} H3022 9914 0.0 -1 1 {} H 0.0 {0.594202 0.108948 0.796632} H3023 9915 0.0 -1 1 {} H 0.0 {0.666198 0.147578 0.837881} H3024 9916 0.0 -1 1 {} H 0.0 {0.771133 0.122382 0.800482} H3025 9917 0.0 -1 1 {} H 0.0 {0.607785 0.123001 0.874146} H3026 9918 0.0 -1 1 {} H 0.0 {0.577575 0.124957 0.0398795} H3027 9919 0.0 -1 8 {} O 0.0 {0.696985 0.127287 0.972392} O5093 9920 0.0 -1 8 {} O 0.0 {0.660377 0.122391 0.623046} O5094 9921 0.0 -1 8 {} O 0.0 {0.658534 0.116885 0.923481} O5095 9922 0.0 -1 8 {} O 0.0 {0.84323 0.0933862 0.0480292} O5096 9923 0.0 -1 8 {} O 0.0 {0.649292 0.139335 0.0492573} O5097 9924 0.0 -1 1 {} H 0.0 {0.632879 0.0982864 0.387008} H3028 9925 0.0 -1 1 {} H 0.0 {0.548738 0.92654 0.37503} H3029 9926 0.0 -1 1 {} H 0.0 {0.654793 0.11956 0.351167} H3030 9927 0.0 -1 1 {} H 0.0 {0.696697 0.119065 0.0019819} H3031 9928 0.0 -1 1 {} H 0.0 {0.515761 0.893189 0.186426} H3032 9929 0.0 -1 1 {} H 0.0 {0.609098 0.174634 0.0780901} H3033 9930 0.0 -1 1 {} H 0.0 {0.566997 0.887261 0.0317847} H3034 9931 0.0 -1 1 {} H 0.0 {0.647761 0.940563 0.199762} H3035 9932 0.0 -1 1 {} H 0.0 {0.727335 0.0995222 0.540395} H3036 9933 0.0 -1 1 {} H 0.0 {0.596141 0.888841 0.197277} H3037 9934 0.0 -1 1 {} H 0.0 {0.651823 0.133844 0.021666} H3038 9935 0.0 -1 8 {} O 0.0 {0.704264 0.155647 0.113855} O5098 9936 0.0 -1 8 {} O 0.0 {0.633688 0.881877 0.189534} O5099 9937 0.0 -1 8 {} O 0.0 {0.613701 0.142018 0.969808} O5100 9938 0.0 -1 1 {} H 0.0 {0.555732 0.189666 0.358309} H3039 9939 0.0 -1 1 {} H 0.0 {0.609226 0.158103 0.92262} H3040 9940 0.0 -1 1 {} H 0.0 {0.61725 0.205538 0.638168} H3041 9941 0.0 -1 1 {} H 0.0 {0.570034 0.209702 0.0593163} H3042 9942 0.0 -1 1 {} H 0.0 {0.578629 0.168117 0.0935326} H3043 9943 0.0 -1 1 {} H 0.0 {0.59042 0.131395 0.287245} H3044 9944 0.0 -1 8 {} O 0.0 {0.670634 0.117897 0.114145} O5101 9945 0.0 -1 8 {} O 0.0 {0.765843 0.113621 0.279245} O5102 9946 0.0 -1 8 {} O 0.0 {0.743745 0.926885 0.946298} O5103 9947 0.0 -1 8 {} O 0.0 {0.664159 0.103635 0.267836} O5104 9948 0.0 -1 8 {} O 0.0 {0.574446 0.104543 0.0319539} O5105 9949 0.0 -1 1 {} H 0.0 {0.554975 0.124778 0.302808} H3045 9950 0.0 -1 1 {} H 0.0 {0.432815 0.851296 0.869804} H3046 9951 0.0 -1 1 {} H 0.0 {0.58353 0.117455 0.605336} H3047 9952 0.0 -1 1 {} H 0.0 {0.625928 0.151307 0.317115} H3048 9953 0.0 -1 1 {} H 0.0 {0.582648 0.162978 0.463928} H3049 9954 0.0 -1 1 {} H 0.0 {0.735012 0.134494 0.575516} H3050 9955 0.0 -1 1 {} H 0.0 {0.746379 0.933645 0.929813} H3051 9956 0.0 -1 1 {} H 0.0 {0.515271 0.903395 0.406613} H3052 9957 0.0 -1 1 {} H 0.0 {0.490998 0.936747 0.827757} H3053 9958 0.0 -1 1 {} H 0.0 {0.6769 0.139269 0.594672} H3054 9959 0.0 -1 1 {} H 0.0 {0.751451 0.93586 0.124894} H3055 9960 0.0 -1 8 {} O 0.0 {0.659643 0.133497 0.26714} O5106 9961 0.0 -1 8 {} O 0.0 {0.589985 0.219689 0.492603} O5107 9962 0.0 -1 8 {} O 0.0 {0.442596 0.146467 0.814963} O5108 9963 0.0 -1 1 {} H 0.0 {0.572256 0.157431 0.670244} H3056 9964 0.0 -1 1 {} H 0.0 {0.650094 0.186459 0.0418305} H3057 9965 0.0 -1 1 {} H 0.0 {0.661012 0.927862 0.633631} H3058 9966 0.0 -1 1 {} H 0.0 {0.632682 0.196861 0.184215} H3059 9967 0.0 -1 1 {} H 0.0 {0.635214 0.0593089 0.760316} H3060 9968 0.0 -1 1 {} H 0.0 {0.716889 0.117343 0.741376} H3061 9969 0.0 -1 8 {} O 0.0 {0.397573 0.180622 0.502156} O5109 9970 0.0 -1 8 {} O 0.0 {0.41231 0.215169 0.551118} O5110 9971 0.0 -1 8 {} O 0.0 {0.491471 0.93497 0.7798} O5111 9972 0.0 -1 8 {} O 0.0 {0.650318 0.167578 0.789675} O5112 9973 0.0 -1 8 {} O 0.0 {0.621858 0.128174 0.676961} O5113 9974 0.0 -1 1 {} H 0.0 {0.439599 0.139589 0.0589788} H3062 9975 0.0 -1 1 {} H 0.0 {0.276817 0.931561 0.980725} H3063 9976 0.0 -1 1 {} H 0.0 {0.779299 0.121712 0.829594} H3064 9977 0.0 -1 1 {} H 0.0 {0.626598 0.112431 0.830227} H3065 9978 0.0 -1 1 {} H 0.0 {0.618021 0.180408 0.791774} H3066 9979 0.0 -1 1 {} H 0.0 {0.690678 0.155545 0.141597} H3067 9980 0.0 -1 1 {} H 0.0 {0.552087 0.124981 0.420438} H3068 9981 0.0 -1 1 {} H 0.0 {0.325541 0.906619 0.648472} H3069 9982 0.0 -1 1 {} H 0.0 {0.623292 0.117551 0.0670431} H3070 9983 0.0 -1 1 {} H 0.0 {0.600256 0.212073 0.687095} H3071 9984 0.0 -1 1 {} H 0.0 {0.603318 0.165534 0.321178} H3072 9985 0.0 -1 8 {} O 0.0 {0.664241 0.923738 0.625466} O5114 9986 0.0 -1 8 {} O 0.0 {0.575099 0.204994 0.658563} O5115 9987 0.0 -1 8 {} O 0.0 {0.548963 0.192963 0.607052} O5116 9988 0.0 -1 1 {} H 0.0 {0.542403 0.151701 0.200654} H3073 9989 0.0 -1 1 {} H 0.0 {0.50322 0.134108 0.664814} H3074 9990 0.0 -1 1 {} H 0.0 {0.585057 0.148431 0.716105} H3075 9991 0.0 -1 1 {} H 0.0 {0.562688 0.198216 0.93954} H3076 9992 0.0 -1 1 {} H 0.0 {0.379864 0.177736 0.727183} H3077 9993 0.0 -1 1 {} H 0.0 {0.754959 0.943472 0.203346} H3078 9994 0.0 -1 8 {} O 0.0 {0.450301 0.129326 0.441113} O5117 9995 0.0 -1 8 {} O 0.0 {0.751449 0.130765 0.237569} O5118 9996 0.0 -1 8 {} O 0.0 {0.617664 0.134341 0.230972} O5119 9997 0.0 -1 8 {} O 0.0 {0.73768 0.128788 0.639628} O5120 9998 0.0 -1 8 {} O 0.0 {0.574379 0.151624 0.966418} O5121 9999 0.0 -1 1 {} H 0.0 {0.450531 0.1049 0.768081} H3079 10000 0.0 -1 1 {} H 0.0 {0.507036 0.939167 0.036195} H3080 10001 0.0 -1 1 {} H 0.0 {0.677187 0.897782 0.482889} H3081 10002 0.0 -1 8 {} O 0.0 {0.725149 0.931987 0.519789} O5122 10003 0.0 -1 8 {} O 0.0 {0.452365 0.177727 0.937669} O5123 10004 0.0 -1 1 {} H 0.0 {0.558994 0.121854 0.724013} H3082 10005 0.0 -1 1 {} H 0.0 {0.577796 0.143511 0.289768} H3083 10006 0.0 -1 8 {} O 0.0 {0.463308 0.115026 0.938751} O5124 10007 0.0 -1 8 {} O 0.0 {0.450621 0.180435 0.988405} O5125 10008 0.0 -1 1 {} H 0.0 {0.685415 0.115239 0.439133} H3084 10009 0.0 -1 1 {} H 0.0 {0.771264 0.0866562 0.348858} H3085 10010 0.0 -1 1 {} H 0.0 {0.584567 0.904228 0.220879} H3086 10011 0.0 -1 1 {} H 0.0 {0.196284 0.939231 0.17619} H3087 10012 0.0 -1 8 {} O 0.0 {0.585719 0.909954 0.254228} O5126 10013 0.0 -1 8 {} O 0.0 {0.768652 0.0912391 0.381289} O5127 10014 0.0 -1 1 {} H 0.0 {0.809568 0.107574 0.426657} H3088 10015 0.0 -1 1 {} H 0.0 {0.600652 0.938786 0.899042} H3089 10016 0.0 -1 1 {} H 0.0 {0.719858 0.918345 0.305552} H3090 10017 0.0 -1 1 {} H 0.0 {0.609035 0.865653 0.088945} H3091 10018 0.0 -1 1 {} H 0.0 {0.651769 0.15583 0.718594} H3092 10019 0.0 -1 1 {} H 0.0 {0.650227 0.91043 0.269659} H3093 10020 0.0 -1 1 {} H 0.0 {0.600989 0.901645 0.372231} H3094 10021 0.0 -1 1 {} H 0.0 {0.678457 0.854488 0.917342} H3095 10022 0.0 -1 1 {} H 0.0 {0.650193 0.911705 0.848042} H3096 10023 0.0 -1 1 {} H 0.0 {0.606552 0.10325 0.317146} H3097 10024 0.0 -1 1 {} H 0.0 {0.646795 0.825994 0.229199} H3098 10025 0.0 -1 8 {} O 0.0 {0.68831 0.870568 0.825401} O5128 10026 0.0 -1 8 {} O 0.0 {0.588401 0.180593 0.785812} O5129 10027 0.0 -1 8 {} O 0.0 {0.715294 0.143366 0.116071} O5130 10028 0.0 -1 1 {} H 0.0 {0.787382 0.0988319 0.343683} H3099 10029 0.0 -1 1 {} H 0.0 {0.626855 0.192187 0.199913} H3100 10030 0.0 -1 1 {} H 0.0 {0.628463 0.134503 0.458157} H3101 10031 0.0 -1 1 {} H 0.0 {0.499895 0.857683 0.0826928} H3102 10032 0.0 -1 1 {} H 0.0 {0.679389 0.917309 0.00953179} H3103 10033 0.0 -1 1 {} H 0.0 {0.59816 0.82341 0.716444} H3104 10034 0.0 -1 8 {} O 0.0 {0.753303 0.943821 0.873776} O5131 10035 0.0 -1 8 {} O 0.0 {0.499599 0.85329 0.124638} O5132 10036 0.0 -1 8 {} O 0.0 {0.599106 0.858881 0.683737} O5133 10037 0.0 -1 8 {} O 0.0 {0.758223 0.941773 0.873142} O5134 10038 0.0 -1 8 {} O 0.0 {0.631846 0.920234 0.805894} O5135 10039 0.0 -1 1 {} H 0.0 {0.641878 0.166733 0.595727} H3105 10040 0.0 -1 1 {} H 0.0 {0.482514 0.836198 0.109084} H3106 10041 0.0 -1 1 {} H 0.0 {0.801935 0.931732 0.691936} H3107 10042 0.0 -1 1 {} H 0.0 {0.478104 0.931413 0.744108} H3108 10043 0.0 -1 1 {} H 0.0 {0.585807 0.903727 0.477655} H3109 10044 0.0 -1 1 {} H 0.0 {0.504607 0.832791 0.22077} H3110 10045 0.0 -1 1 {} H 0.0 {0.61707 0.870964 0.661379} H3111 10046 0.0 -1 1 {} H 0.0 {0.39356 0.905777 0.808214} H3112 10047 0.0 -1 1 {} H 0.0 {0.448018 0.921792 0.141902} H3113 10048 0.0 -1 1 {} H 0.0 {0.0441634 0.0893734 0.671618} H3114 10049 0.0 -1 1 {} H 0.0 {0.614998 0.863505 0.605099} H3115 10050 0.0 -1 8 {} O 0.0 {0.671056 0.854914 0.0332551} O5136 10051 0.0 -1 8 {} O 0.0 {0.645089 0.934205 0.877873} O5137 10052 0.0 -1 8 {} O 0.0 {0.465385 0.919788 0.717717} O5138 10053 0.0 -1 1 {} H 0.0 {0.584771 0.119216 0.22817} H3116 10054 0.0 -1 1 {} H 0.0 {0.601741 0.862601 0.943191} H3117 10055 0.0 -1 1 {} H 0.0 {0.439052 0.906002 0.86362} H3118 10056 0.0 -1 1 {} H 0.0 {0.602744 0.855478 0.688448} H3119 10057 0.0 -1 1 {} H 0.0 {0.537092 0.805785 0.190697} H3120 10058 0.0 -1 1 {} H 0.0 {0.697205 0.903399 0.418614} H3121 10059 0.0 -1 8 {} O 0.0 {0.54995 0.920798 0.340603} O5139 10060 0.0 -1 8 {} O 0.0 {0.594614 0.823092 0.698488} O5140 10061 0.0 -1 8 {} O 0.0 {0.438839 0.900407 0.826597} O5141 10062 0.0 -1 8 {} O 0.0 {0.679367 0.916766 0.961826} O5142 10063 0.0 -1 8 {} O 0.0 {0.591616 0.883843 0.0699876} O5143 10064 0.0 -1 1 {} H 0.0 {0.596058 0.138156 0.29767} H3122 10065 0.0 -1 1 {} H 0.0 {0.43702 0.905124 0.792688} H3123 10066 0.0 -1 1 {} H 0.0 {0.545235 0.941776 0.887331} H3124 10067 0.0 -1 1 {} H 0.0 {0.459133 0.138102 0.272338} H3125 10068 0.0 -1 1 {} H 0.0 {0.657044 0.87631 0.108247} H3126 10069 0.0 -1 1 {} H 0.0 {0.652568 0.875349 0.0505338} H3127 10070 0.0 -1 1 {} H 0.0 {0.593722 0.88915 0.100877} H3128 10071 0.0 -1 1 {} H 0.0 {0.565945 0.930009 0.632434} H3129 10072 0.0 -1 1 {} H 0.0 {0.372177 0.899726 0.369609} H3130 10073 0.0 -1 1 {} H 0.0 {0.406148 0.917737 0.642647} H3131 10074 0.0 -1 1 {} H 0.0 {0.704781 0.116908 0.65247} H3132 10075 0.0 -1 8 {} O 0.0 {0.573897 0.901114 0.568776} O5144 10076 0.0 -1 8 {} O 0.0 {0.485448 0.85855 0.412515} O5145 10077 0.0 -1 8 {} O 0.0 {0.573645 0.888746 0.354043} O5146 10078 0.0 -1 1 {} H 0.0 {0.566053 0.845963 0.760858} H3133 10079 0.0 -1 1 {} H 0.0 {0.572574 0.897644 0.338706} H3134 10080 0.0 -1 1 {} H 0.0 {0.680799 0.860537 0.647786} H3135 10081 0.0 -1 1 {} H 0.0 {0.573667 0.0280436 0.346923} H3136 10082 0.0 -1 1 {} H 0.0 {0.647106 0.851665 0.953908} H3137 10083 0.0 -1 1 {} H 0.0 {0.452889 0.878957 0.975956} H3138 10084 0.0 -1 8 {} O 0.0 {0.591218 0.881211 0.245353} O5147 10085 0.0 -1 8 {} O 0.0 {0.476784 0.922956 0.727104} O5148 10086 0.0 -1 8 {} O 0.0 {0.633444 0.852341 0.371415} O5149 10087 0.0 -1 8 {} O 0.0 {0.656506 0.873203 0.0621944} O5150 10088 0.0 -1 8 {} O 0.0 {0.456242 0.847151 0.404825} O5151 10089 0.0 -1 1 {} H 0.0 {0.735459 0.129236 0.499486} H3139 10090 0.0 -1 1 {} H 0.0 {0.643979 0.895464 0.463757} H3140 10091 0.0 -1 1 {} H 0.0 {0.600685 0.930691 0.213265} H3141 10092 0.0 -1 1 {} H 0.0 {0.56967 0.900056 0.792564} H3142 10093 0.0 -1 1 {} H 0.0 {0.7141 0.937196 0.812118} H3143 10094 0.0 -1 1 {} H 0.0 {0.491361 0.937123 0.141251} H3144 10095 0.0 -1 1 {} H 0.0 {0.65279 0.106693 0.379016} H3145 10096 0.0 -1 1 {} H 0.0 {0.481408 0.851818 0.203561} H3146 10097 0.0 -1 1 {} H 0.0 {0.577658 0.902239 0.165977} H3147 10098 0.0 -1 1 {} H 0.0 {0.801044 0.117944 0.921437} H3148 10099 0.0 -1 1 {} H 0.0 {0.417849 0.918386 0.44083} H3149 10100 0.0 -1 8 {} O 0.0 {0.56998 0.201029 0.39221} O5152 10101 0.0 -1 8 {} O 0.0 {0.598832 0.89267 0.170207} O5153 10102 0.0 -1 8 {} O 0.0 {0.523029 0.93677 0.851529} O5154 10103 0.0 -1 1 {} H 0.0 {0.334639 0.930475 0.673871} H3150 10104 0.0 -1 1 {} H 0.0 {0.532462 0.844777 0.112103} H3151 10105 0.0 -1 1 {} H 0.0 {0.52396 0.929001 0.877245} H3152 10106 0.0 -1 1 {} H 0.0 {0.583408 0.860594 0.151119} H3153 10107 0.0 -1 1 {} H 0.0 {0.245314 0.947665 0.797801} H3154 10108 0.0 -1 1 {} H 0.0 {0.632731 0.891379 0.180371} H3155 10109 0.0 -1 8 {} O 0.0 {0.470312 0.826552 0.00366396} O5155 10110 0.0 -1 8 {} O 0.0 {0.647952 0.842552 0.955997} O5156 10111 0.0 -1 8 {} O 0.0 {0.610349 0.922313 0.697739} O5157 10112 0.0 -1 8 {} O 0.0 {0.714876 0.932697 0.771419} O5158 10113 0.0 -1 8 {} O 0.0 {0.429292 0.854724 0.863899} O5159 10114 0.0 -1 1 {} H 0.0 {0.516913 0.134768 0.133277} H3156 10115 0.0 -1 1 {} H 0.0 {0.597033 0.861222 0.322826} H3157 10116 0.0 -1 1 {} H 0.0 {0.550941 0.825671 0.844126} H3158 10117 0.0 -1 1 {} H 0.0 {0.568253 0.835746 0.209852} H3159 10118 0.0 -1 1 {} H 0.0 {0.513593 0.850173 0.718135} H3160 10119 0.0 -1 1 {} H 0.0 {0.708308 0.876548 0.670494} H3161 10120 0.0 -1 1 {} H 0.0 {0.477339 0.95826 0.854362} H3162 10121 0.0 -1 1 {} H 0.0 {0.451377 0.881304 0.436896} H3163 10122 0.0 -1 1 {} H 0.0 {0.676005 0.920925 0.694838} H3164 10123 0.0 -1 1 {} H 0.0 {0.566193 0.938275 0.251805} H3165 10124 0.0 -1 1 {} H 0.0 {0.688166 0.885833 0.767628} H3166 10125 0.0 -1 8 {} O 0.0 {0.474364 0.95448 0.879623} O5160 10126 0.0 -1 8 {} O 0.0 {0.452226 0.930566 0.756778} O5161 10127 0.0 -1 8 {} O 0.0 {0.645508 0.886661 0.182917} O5162 10128 0.0 -1 1 {} H 0.0 {0.591827 0.236943 0.768077} H3167 10129 0.0 -1 1 {} H 0.0 {0.807708 0.115683 0.831805} H3168 10130 0.0 -1 1 {} H 0.0 {0.634455 0.778494 0.736974} H3169 10131 0.0 -1 1 {} H 0.0 {0.450295 0.92795 0.535572} H3170 10132 0.0 -1 1 {} H 0.0 {0.573954 0.183379 0.259382} H3171 10133 0.0 -1 1 {} H 0.0 {0.556002 0.188475 0.926161} H3172 10134 0.0 -1 8 {} O 0.0 {0.56275 0.846797 0.429947} O5163 10135 0.0 -1 8 {} O 0.0 {0.42786 0.876824 0.690336} O5164 10136 0.0 -1 8 {} O 0.0 {0.516075 0.913555 0.207787} O5165 10137 0.0 -1 8 {} O 0.0 {0.557734 0.903146 0.287447} O5166 10138 0.0 -1 8 {} O 0.0 {0.693482 0.128538 0.630766} O5167 10139 0.0 -1 1 {} H 0.0 {0.447543 0.160513 0.540738} H3173 10140 0.0 -1 1 {} H 0.0 {0.467788 0.819666 0.985857} H3174 10141 0.0 -1 1 {} H 0.0 {0.439778 0.876459 0.0593342} H3175 10142 0.0 -1 1 {} H 0.0 {0.666612 0.909661 0.970683} H3176 10143 0.0 -1 1 {} H 0.0 {0.634052 0.824854 0.0747011} H3177 10144 0.0 -1 1 {} H 0.0 {0.251201 0.941927 0.440249} H3178 10145 0.0 -1 1 {} H 0.0 {0.519806 0.86967 0.0457597} H3179 10146 0.0 -1 1 {} H 0.0 {0.655158 0.944044 0.828813} H3180 10147 0.0 -1 1 {} H 0.0 {0.863266 0.939926 0.121436} H3181 10148 0.0 -1 1 {} H 0.0 {0.823138 0.937273 0.74612} H3182 10149 0.0 -1 1 {} H 0.0 {0.409697 0.914622 0.40663} H3183 10150 0.0 -1 8 {} O 0.0 {0.593664 0.94853 0.890642} O5168 10151 0.0 -1 8 {} O 0.0 {0.804978 0.928208 0.857431} O5169 10152 0.0 -1 8 {} O 0.0 {0.700665 0.877654 0.693388} O5170 10153 0.0 -1 1 {} H 0.0 {0.561055 0.099786 0.250511} H3184 10154 0.0 -1 1 {} H 0.0 {0.446761 0.959424 0.782828} H3185 10155 0.0 -1 1 {} H 0.0 {0.699584 0.868137 0.695178} H3186 10156 0.0 -1 1 {} H 0.0 {0.697167 0.881791 0.694753} H3187 10157 0.0 -1 1 {} H 0.0 {0.56668 0.914723 0.369671} H3188 10158 0.0 -1 1 {} H 0.0 {0.440053 0.845461 0.814303} H3189 10159 0.0 -1 8 {} O 0.0 {0.326389 0.134823 0.955413} O5171 10160 0.0 -1 8 {} O 0.0 {0.349489 0.948841 0.555745} O5172 10161 0.0 -1 8 {} O 0.0 {0.760086 0.90534 0.0965872} O5173 10162 0.0 -1 8 {} O 0.0 {0.675208 0.935836 0.443817} O5174 10163 0.0 -1 8 {} O 0.0 {0.491539 0.930711 0.359943} O5175 10164 0.0 -1 1 {} H 0.0 {0.756564 0.901706 0.0866754} H3190 10165 0.0 -1 1 {} H 0.0 {0.403895 0.910067 0.411813} H3191 10166 0.0 -1 1 {} H 0.0 {0.484245 0.873961 0.220668} H3192 10167 0.0 -1 8 {} O 0.0 {0.407471 0.906208 0.412634} O5176 10168 0.0 -1 8 {} O 0.0 {0.485935 0.867041 0.191179} O5177 10169 0.0 -1 1 {} H 0.0 {0.373552 0.915625 0.181576} H3193 10170 0.0 -1 1 {} H 0.0 {0.447894 0.845413 0.578002} H3194 10171 0.0 -1 8 {} O 0.0 {0.413504 0.946843 0.230033} O5178 10172 0.0 -1 1 {} H 0.0 {0.547764 0.939403 0.221605} H3195 10173 0.0 -1 8 {} O 0.0 {0.615789 0.111687 0.440689} O5179 10174 0.0 -1 1 {} H 0.0 {0.435375 0.939268 0.0954337} H3196 10175 0.0 -1 1 {} H 0.0 {0.576665 0.8427 0.223834} H3197 10176 0.0 -1 8 {} O 0.0 {0.640662 0.897075 0.917976} O5180 10177 0.0 -1 8 {} O 0.0 {0.646785 0.910461 0.247735} O5181 10178 0.0 -1 1 {} H 0.0 {0.503739 0.895918 0.634916} H3198 10179 0.0 -1 1 {} H 0.0 {0.590911 0.84279 0.0606441} H3199 10180 0.0 -1 8 {} O 0.0 {0.785541 0.924004 0.544453} O5182 10181 0.0 -1 8 {} O 0.0 {0.550368 0.818683 0.81033} O5183 10182 0.0 -1 1 {} H 0.0 {0.676242 0.932164 0.923255} H3200 10183 0.0 -1 1 {} H 0.0 {0.665641 0.849358 0.802691} H3201 10184 0.0 -1 8 {} O 0.0 {0.674372 0.939015 0.895601} O5184 10185 0.0 -1 8 {} O 0.0 {0.661248 0.831669 0.542183} O5185 10186 0.0 -1 1 {} H 0.0 {0.517477 0.941915 0.887254} H3202 10187 0.0 -1 1 {} H 0.0 {0.56087 0.829082 0.0741967} H3203 10188 0.0 -1 8 {} O 0.0 {0.682393 0.85195 0.636221} O5186 10189 0.0 -1 8 {} O 0.0 {0.439451 0.919206 0.941942} O5187 10190 0.0 -1 1 {} H 0.0 {0.63269 0.858296 0.570217} H3204 10191 0.0 -1 1 {} H 0.0 {0.685445 0.850098 0.666371} H3205 10192 0.0 -1 8 {} O 0.0 {0.42378 0.909472 0.645022} O5188 10193 0.0 -1 8 {} O 0.0 {0.71178 0.874926 0.649601} O5189 10194 0.0 -1 1 {} H 0.0 {0.50596 0.893529 0.335078} H3206 10195 0.0 -1 1 {} H 0.0 {0.426724 0.928519 0.843892} H3207 10196 0.0 -1 8 {} O 0.0 {0.616502 0.86209 0.64685} O5190 10197 0.0 -1 8 {} O 0.0 {0.254256 0.939037 0.464404} O5191 10198 0.0 -1 1 {} H 0.0 {0.382977 0.922482 0.254484} H3208 10199 0.0 -1 8 {} O 0.0 {0.444553 0.875645 0.794598} O5192 10200 0.0 -1 1 {} H 0.0 {0.0127589 0.0755939 0.307351} H3209 10201 0.0 -1 1 {} H 0.0 {0.015841 0.0775764 0.631503} H6419 10202 0.0 -1 1 {} H 0.0 {0.0161662 0.0994266 0.904143} H9630 10203 0.0 -1 1 {} H 0.0 {0.0329935 0.0986674 0.211892} H12842 10204 0.0 -1 1 {} H 0.0 {0.0309163 0.0931272 0.57387} H16055 10205 0.0 -1 1 {} H 0.0 {0.03638 0.0966953 0.890973} H19269 10206 0.0 -1 1 {} H 0.0 {0.0469495 0.0926926 0.225299} H22484 10207 0.0 -1 1 {} H 0.0 {0.0548604 0.0952761 0.583208} H25700 10208 0.0 -1 1 {} H 0.0 {0.0495124 0.0806181 0.940848} H28917 10209 0.0 -1 1 {} H 0.0 {0.0737657 0.0858191 0.296407} H32135 10210 0.0 -1 1 {} H 0.0 {0.077464 0.0795913 0.608107} H35354 10211 0.0 -1 1 {} H 0.0 {0.0809215 0.0883958 0.930637} H38574 10212 0.0 -1 1 {} H 0.0 {0.0888777 0.096615 0.247858} H41795 10213 0.0 -1 1 {} H 0.0 {0.0923456 0.0982304 0.542961} H45017 10214 0.0 -1 1 {} H 0.0 {0.0936818 0.0827965 0.980483} H48240 10215 0.0 -1 1 {} H 0.0 {0.115561 0.0834345 0.295076} H51464 10216 0.0 -1 1 {} H 0.0 {0.113816 0.0989623 0.602411} H54689 10217 0.0 -1 1 {} H 0.0 {0.114838 0.0938964 0.960684} H57915 10218 0.0 -1 1 {} H 0.0 {0.139248 0.0918611 0.258312} H61142 10219 0.0 -1 1 {} H 0.0 {0.131741 0.0988435 0.499647} H64370 10220 0.0 -1 1 {} H 0.0 {0.123434 0.0932877 0.696158} H67599 10221 0.0 -1 1 {} H 0.0 {0.15121 0.0896157 0.281191} H70829 10222 0.0 -1 1 {} H 0.0 {0.152257 0.0979655 0.560885} H74060 10223 0.0 -1 1 {} H 0.0 {0.152048 0.0987617 0.900494} H77292 10224 0.0 -1 1 {} H 0.0 {0.167581 0.0933317 0.305629} H80525 10225 0.0 -1 1 {} H 0.0 {0.168663 0.0944719 0.546698} H83759 10226 0.0 -1 1 {} H 0.0 {0.170686 0.0998299 0.896352} H86994 10227 0.0 -1 1 {} H 0.0 {0.188965 0.100226 0.226054} H90230 10228 0.0 -1 1 {} H 0.0 {0.190654 0.102844 0.594908} H93467 10229 0.0 -1 1 {} H 0.0 {0.189291 0.098365 0.90997} H96705 10230 0.0 -1 1 {} H 0.0 {0.214863 0.107502 0.244377} H99944 10231 0.0 -1 1 {} H 0.0 {0.209422 0.0975972 0.597446} H103184 10232 0.0 -1 1 {} H 0.0 {0.213988 0.0922776 0.983438} H106425 10233 0.0 -1 1 {} H 0.0 {0.23513 0.092147 0.287636} H109667 10234 0.0 -1 1 {} H 0.0 {0.233138 0.102387 0.580252} H112910 10235 0.0 -1 1 {} H 0.0 {0.22985 0.0971049 0.938264} H116154 10236 0.0 -1 1 {} H 0.0 {0.250694 0.102377 0.202967} H119399 10237 0.0 -1 1 {} H 0.0 {0.249957 0.105405 0.569602} H122645 10238 0.0 -1 1 {} H 0.0 {0.256342 0.0973353 0.922058} H125892 10239 0.0 -1 1 {} H 0.0 {0.274548 0.10066 0.252274} H129140 10240 0.0 -1 1 {} H 0.0 {0.273004 0.0990246 0.599897} H132389 10241 0.0 -1 1 {} H 0.0 {0.268249 0.0915484 0.932739} H135639 10242 0.0 -1 1 {} H 0.0 {0.292434 0.10498 0.166538} H138890 10243 0.0 -1 1 {} H 0.0 {0.296233 0.0894331 0.609956} H142142 10244 0.0 -1 1 {} H 0.0 {0.296887 0.096871 0.920998} H145395 10245 0.0 -1 1 {} H 0.0 {0.3086 0.0970509 0.266521} H148649 10246 0.0 -1 1 {} H 0.0 {0.316735 0.0855654 0.625248} H151904 10247 0.0 -1 1 {} H 0.0 {0.314222 0.0968787 0.909306} H155160 10248 0.0 -1 1 {} H 0.0 {0.334309 0.0871421 0.271452} H158417 10249 0.0 -1 1 {} H 0.0 {0.33327 0.10478 0.534891} H161675 10250 0.0 -1 1 {} H 0.0 {0.333556 0.0985438 0.954886} H164934 10251 0.0 -1 1 {} H 0.0 {0.356906 0.100907 0.181682} H168194 10252 0.0 -1 1 {} H 0.0 {0.351116 0.0959594 0.59377} H171455 10253 0.0 -1 1 {} H 0.0 {0.351023 0.092706 0.938609} H174717 10254 0.0 -1 1 {} H 0.0 {0.37716 0.100233 0.210249} H177980 10255 0.0 -1 1 {} H 0.0 {0.376761 0.0963453 0.576486} H181244 10256 0.0 -1 1 {} H 0.0 {0.373206 0.0801311 0.966704} H184509 10257 0.0 -1 1 {} H 0.0 {0.395326 0.0874161 0.296077} H187775 10258 0.0 -1 1 {} H 0.0 {0.389214 0.0954747 0.580148} H191042 10259 0.0 -1 1 {} H 0.0 {0.396565 0.0949574 0.907648} H194310 10260 0.0 -1 1 {} H 0.0 {0.416499 0.0919042 0.26264} H197579 10261 0.0 -1 1 {} H 0.0 {0.409213 0.0802179 0.618988} H200849 10262 0.0 -1 1 {} H 0.0 {0.412608 0.0838631 0.951429} H204120 10263 0.0 -1 1 {} H 0.0 {0.434369 0.0864107 0.291646} H207392 10264 0.0 -1 1 {} H 0.0 {0.437681 0.0970023 0.58706} H210665 10265 0.0 -1 1 {} H 0.0 {0.42886 0.094912 0.923365} H213939 10266 0.0 -1 1 {} H 0.0 {0.452259 0.0984199 0.273288} H217214 10267 0.0 -1 1 {} H 0.0 {0.456658 0.0939193 0.59102} H220490 10268 0.0 -1 1 {} H 0.0 {0.456757 0.0868297 0.955798} H223767 10269 0.0 -1 1 {} H 0.0 {0.469443 0.0968665 0.23324} H227045 10270 0.0 -1 1 {} H 0.0 {0.473575 0.0975674 0.594618} H230324 10271 0.0 -1 1 {} H 0.0 {0.472555 0.0991162 0.936652} H233604 10272 0.0 -1 1 {} H 0.0 {0.499521 0.104475 0.20769} H236885 10273 0.0 -1 1 {} H 0.0 {0.493307 0.100905 0.610015} H240167 10274 0.0 -1 1 {} H 0.0 {0.498293 0.0990893 0.894627} H243450 10275 0.0 -1 1 {} H 0.0 {0.513537 0.0964792 0.269172} H246734 10276 0.0 -1 1 {} H 0.0 {0.512282 0.100313 0.560581} H250019 10277 0.0 -1 1 {} H 0.0 {0.512394 0.0837641 0.968273} H253305 10278 0.0 -1 1 {} H 0.0 {0.535109 0.082707 0.29118} H256592 10279 0.0 -1 1 {} H 0.0 {0.532094 0.0963036 0.579104} H259880 10280 0.0 -1 1 {} H 0.0 {0.539031 0.0792016 0.943301} H263169 10281 0.0 -1 1 {} H 0.0 {0.54911 0.0993718 0.227555} H266459 10282 0.0 -1 1 {} H 0.0 {0.558889 0.0979206 0.56068} H269750 10283 0.0 -1 1 {} H 0.0 {0.555044 0.0857399 0.958265} H273042 10284 0.0 -1 1 {} H 0.0 {0.573671 0.0914407 0.272913} H276335 10285 0.0 -1 1 {} H 0.0 {0.576451 0.0990691 0.559453} H279629 10286 0.0 -1 1 {} H 0.0 {0.570498 0.0948437 0.903584} H282924 10287 0.0 -1 1 {} H 0.0 {0.598285 0.0987351 0.254162} H286220 10288 0.0 -1 1 {} H 0.0 {0.592714 0.0839687 0.624308} H289517 10289 0.0 -1 1 {} H 0.0 {0.592486 0.092837 0.941668} H292815 10290 0.0 -1 1 {} H 0.0 {0.617466 0.0804527 0.295534} H296114 10291 0.0 -1 1 {} H 0.0 {0.609912 0.0975908 0.571147} H299414 10292 0.0 -1 1 {} H 0.0 {0.618393 0.0974845 0.885946} H302715 10293 0.0 -1 1 {} H 0.0 {0.634041 0.0944036 0.275412} H306017 10294 0.0 -1 1 {} H 0.0 {0.632856 0.0880401 0.599454} H309320 10295 0.0 -1 1 {} H 0.0 {0.639137 0.10449 0.881441} H312624 10296 0.0 -1 1 {} H 0.0 {0.658727 0.0941125 0.264947} H315929 10297 0.0 -1 1 {} H 0.0 {0.652473 0.0989931 0.546916} H319235 10298 0.0 -1 1 {} H 0.0 {0.65567 0.0934139 0.920044} H322542 10299 0.0 -1 1 {} H 0.0 {0.674817 0.101343 0.191894} H325850 10300 0.0 -1 1 {} H 0.0 {0.721193 0.124945 0.784138} H329159 10301 0.0 -1 1 {} H 0.0 {0.678913 0.0909711 0.944962} H332469 10302 0.0 -1 1 {} H 0.0 {0.698017 0.0823823 0.286767} H335780 10303 0.0 -1 1 {} H 0.0 {0.756823 0.134511 0.431135} H339092 10304 0.0 -1 1 {} H 0.0 {0.692425 0.0961776 0.896465} H342405 10305 0.0 -1 1 {} H 0.0 {0.718477 0.096924 0.247165} H345719 10306 0.0 -1 1 {} H 0.0 {0.72092 0.0938305 0.575954} H349034 10307 0.0 -1 1 {} H 0.0 {0.711337 0.0958109 0.903674} H352350 10308 0.0 -1 1 {} H 0.0 {0.738867 0.100823 0.237479} H355667 10309 0.0 -1 1 {} H 0.0 {0.733359 0.0929004 0.584802} H358985 10310 0.0 -1 1 {} H 0.0 {0.736675 0.101161 0.841732} H362304 10311 0.0 -1 1 {} H 0.0 {0.755857 0.102064 0.201264} H365624 10312 0.0 -1 1 {} H 0.0 {0.75492 0.0801734 0.619302} H368945 10313 0.0 -1 1 {} H 0.0 {0.753323 0.0973979 0.912876} H372267 10314 0.0 -1 1 {} H 0.0 {0.779958 0.0893237 0.283324} H375590 10315 0.0 -1 1 {} H 0.0 {0.779317 0.10177 0.59683} H378914 10316 0.0 -1 1 {} H 0.0 {0.777621 0.0987356 0.880009} H382239 10317 0.0 -1 1 {} H 0.0 {0.792768 0.0823515 0.298907} H385565 10318 0.0 -1 1 {} H 0.0 {0.791788 0.0880833 0.605254} H388892 10319 0.0 -1 1 {} H 0.0 {0.799323 0.0811797 0.948753} H392220 10320 0.0 -1 1 {} H 0.0 {0.821362 0.0901836 0.262052} H395549 10321 0.0 -1 1 {} H 0.0 {0.817701 0.0894417 0.656879} H398879 10322 0.0 -1 1 {} H 0.0 {0.815654 0.0935183 0.954901} H402210 10323 0.0 -1 1 {} H 0.0 {0.83746 0.0964857 0.243994} H405542 10324 0.0 -1 1 {} H 0.0 {0.837492 0.0983167 0.560125} H408875 10325 0.0 -1 1 {} H 0.0 {0.830941 0.0963088 0.924403} H412209 10326 0.0 -1 1 {} H 0.0 {0.856584 0.0997182 0.245025} H415544 10327 0.0 -1 1 {} H 0.0 {0.854711 0.0882703 0.600799} H418880 10328 0.0 -1 1 {} H 0.0 {0.854353 0.092778 0.945192} H422217 10329 0.0 -1 1 {} H 0.0 {0.878557 0.0818381 0.289536} H425555 10330 0.0 -1 1 {} H 0.0 {0.871643 0.0937668 0.565315} H428894 10331 0.0 -1 1 {} H 0.0 {0.874405 0.0909896 0.938276} H432234 10332 0.0 -1 1 {} H 0.0 {0.90266 0.0902355 0.223221} H435575 10333 0.0 -1 1 {} H 0.0 {0.90156 0.0908765 0.564972} H438917 10334 0.0 -1 1 {} H 0.0 {0.893597 0.097615 0.914121} H442260 10335 0.0 -1 1 {} H 0.0 {0.91646 0.0883788 0.287818} H445604 10336 0.0 -1 1 {} H 0.0 {0.915821 0.0982073 0.575613} H448949 10337 0.0 -1 1 {} H 0.0 {0.918835 0.0914312 0.925941} H452295 10338 0.0 -1 1 {} H 0.0 {0.937698 0.0936572 0.263909} H455642 10339 0.0 -1 1 {} H 0.0 {0.937074 0.0863323 0.615338} H458990 10340 0.0 -1 1 {} H 0.0 {0.930759 0.0949956 0.92586} H462339 10341 0.0 -1 1 {} H 0.0 {0.961432 0.0878162 0.219483} H465689 10342 0.0 -1 1 {} H 0.0 {0.958448 0.080151 0.613412} H469040 10343 0.0 -1 1 {} H 0.0 {0.95275 0.0922405 0.951134} H472392 10344 0.0 -1 1 {} H 0.0 {0.973554 0.0788539 0.290932} H475745 10345 0.0 -1 1 {} H 0.0 {0.97639 0.0814618 0.632386} H479099 10346 0.0 -1 1 {} H 0.0 {0.973283 0.0948045 0.869904} H482454 10347 0.0 -1 1 {} H 0.0 {0.996342 0.0886741 0.287143} H485810 10348 0.0 -1 1 {} H 0.0 {0.992552 0.090038 0.605116} H489167 10349 0.0 -1 1 {} H 0.0 {0.996737 0.0798379 0.960101} H492525 10350 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 8679 8632 0 0 6275 5503 0 0 1100 1095 0 0 4697 4695 0 0 3477 3470 0 0 4642 4608 0 0 5738 5718 0 0 7502 6278 0 0 3068 3063 0 0 8608 4310 0 0 785 783 0 0 9835 6727 0 0 3330 3326 0 0 3581 3579 0 0 5167 5163 0 0 2360 2355 0 0 2359 2355 0 0 8016 5986 0 0 3778 3744 0 0 9387 9379 0 0 9601 7773 0 0 2466 2462 0 0 7780 7778 0 0 6190 5527 0 0 2951 2916 0 0 4314 4308 0 0 9209 8485 0 0 8638 7184 0 0 6273 5627 0 0 9446 5469 0 0 9105 8565 0 0 2599 2595 0 0 3595 3591 0 0 3605 3601 0 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1063 1075 1159 1171 1183 1267 1279 1291 1375 1387 1399 1483 1495 1507 1591 1603 1615 1699 1711 1723 1807 1819 1831 1915 1927 1939 2023 2035 2047 2131 2143 2155 2239 2251 2263 2347 2359 2371 2455 2467 2479 2563 2575 2587 2671 2683 2695 2779 2791 2803 2887 2899 2911 2995 3007 3019 3103 3115 3127 3211 3223 3235 3319 3331 3343 3427 3439 3451 3535 3547 3559 3643 3655 3667 3751 3763 3775 3859 3871 3883 3967 3979 3991 4075 4087 4099 4183 4195 4207 4291 4303 4315 4399 4411 4423 4507 4519 4531 4615 4627 4639 4723 4735 4747 4831 4843 4855 4939 4951 4963 5047 5059 5071 5155 5167 5179 5263 5275 5287 5371 5383 5395 @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 ? {} {} {} {}}} } } }