job.id 459 job.name {3D WY-9 NEW sphere init velocity-NVT 0.2.fs, 2000 to sphere} job.description { } job.status finished job.submitted {2025-01-06 20:23:18} job.started {2025-01-06 20:23:18} job.finished {2025-01-08 04:16:36} job.queue 10 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 $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-e057e4bd-eca3-48f4-81fb-c826cd05f428 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-e057e4bd-eca3-48f4-81fb-c826cd05f428 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8 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-stage-start-9a3a70a0-9764-432f-a16d-d1fd960f5c62 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-9a3a70a0-9764-432f-a16d-d1fd960f5c62 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-a2a00c82-a350-4c32-905a-e1771a0950db MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-a2a00c82-a350-4c32-905a-e1771a0950db Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-start-9a3a70a0-9764-432f-a16d-d1fd960f5c62 out}} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-500bb802-d63d-443f-b595-5b205cda17b2 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-500bb802-d63d-443f-b595-5b205cda17b2 Options {-finaltemperature {$T} -trajectorysampling {0 frames} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {2000 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-46ebc78a-aca7-4e73-aa08-1b917a007570 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-46ebc78a-aca7-4e73-aa08-1b917a007570 Options {-zerorotation 0 -autorandom 0 -randomseed 72489 -temperature {$T} -zerotranslation 1 -ff ::fF0 -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } } Connections { md-lammps-stage-a2a00c82-a350-4c32-905a-e1771a0950db,md-lammps-stage-46ebc78a-aca7-4e73-aa08-1b917a007570 1 md-lammps-stage-46ebc78a-aca7-4e73-aa08-1b917a007570,md-lammps-stage-500bb802-d63d-443f-b595-5b205cda17b2 1 md-stage-start-9a3a70a0-9764-432f-a16d-d1fd960f5c62,md-lammps-stage-a2a00c82-a350-4c32-905a-e1771a0950db 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-3ab37d25-fd1f-4750-b083-237344e1dc65 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-3ab37d25-fd1f-4750-b083-237344e1dc65 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-9a3a70a0-9764-432f-a16d-d1fd960f5c62} } md-flowchart-oval-823917f3-c034-4aad-b4c4-672518f3a6b2 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-823917f3-c034-4aad-b4c4-672518f3a6b2 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-a2a00c82-a350-4c32-905a-e1771a0950db} } md-flowchart-rectangle-b0202a04-60e9-41e9-b4b5-aca3736b804c ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-b0202a04-60e9-41e9-b4b5-aca3736b804c Options {-height 120 -selected 0 -description {Initial velocities for $T No net translation Random seed: 72489} -fill LightBlue -x 110 -width 160 -y 234 -title velocities -stage md-lammps-stage-46ebc78a-aca7-4e73-aa08-1b917a007570} } md-flowchart-rectangle-cce6d1df-f93a-4a1d-97d4-cff90a91cca9 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-cce6d1df-f93a-4a1d-97d4-cff90a91cca9 Options {-height 120 -selected 0 -description {Temp: $T Time: 2000 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 0 frames} -fill LightBlue -x 105 -width 160 -y 407 -title NVT -stage md-lammps-stage-500bb802-d63d-443f-b595-5b205cda17b2} } } Connections { md-flowchart-oval-823917f3-c034-4aad-b4c4-672518f3a6b2,md-flowchart-rectangle-b0202a04-60e9-41e9-b4b5-aca3736b804c 76 md-flowchart-rectangle-b0202a04-60e9-41e9-b4b5-aca3736b804c,md-flowchart-rectangle-cce6d1df-f93a-4a1d-97d4-cff90a91cca9 70 md-flowchart-circle1-3ab37d25-fd1f-4750-b083-237344e1dc65,md-flowchart-oval-823917f3-c034-4aad-b4c4-672518f3a6b2 64 } } } } md-stage-variables-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-start-0bd7d8d1-7b2d-408a-8d60-a782d7a15fd3 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-0bd7d8d1-7b2d-408a-8d60-a782d7a15fd3 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-0bd7d8d1-7b2d-408a-8d60-a782d7a15fd3,md-stage-variables-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8 1 md-stage-variables-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8,md-lammps-stage-e057e4bd-eca3-48f4-81fb-c826cd05f428 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-595b1074-ef8e-433c-b7de-df5c02a44de7 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-595b1074-ef8e-433c-b7de-df5c02a44de7 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-e057e4bd-eca3-48f4-81fb-c826cd05f428} } md-flowchart-oval-7cd109d8-c7d0-4857-b505-5c76bf921e54 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-7cd109d8-c7d0-4857-b505-5c76bf921e54 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-a1cc5d9a-aea8-4d1f-9bfe-34484a9df9e8} } md-flowchart-circle1-70bb1e56-3fcb-435a-bc48-bec95f474245 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-70bb1e56-3fcb-435a-bc48-bec95f474245 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-0bd7d8d1-7b2d-408a-8d60-a782d7a15fd3} } } Connections { md-flowchart-oval-7cd109d8-c7d0-4857-b505-5c76bf921e54,md-flowchart-rectangle-595b1074-ef8e-433c-b7de-df5c02a44de7 56 md-flowchart-circle1-70bb1e56-3fcb-435a-bc48-bec95f474245,md-flowchart-oval-7cd109d8-c7d0-4857-b505-5c76bf921e54 60 } } } 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 amorphous(WY-9_2024_1125) @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 WyckoffPosition int -1 @end @data 1 {} H 0.0 {0.603445464045 0.37871446985 0.313318893332} H22 1 -1 14 {} Si 0.0 {0.658728343822 0.469564114053 0.667902492779} Si1 2 -1 14 {} Si 0.0 {0.669261371015 0.434115781411 0.615374704975} Si4 3 -1 7 {} N 0.0 {0.662793180599 0.449826115221 0.622910533599} N2 4 -1 7 {} N 0.0 {0.655261678875 0.422084027609 0.613185650373} N3 5 -1 7 {} N 0.0 {0.676857912533 0.437835178392 0.598815153425} N4 6 -1 7 {} N 0.0 {0.657031657965 0.42296426327 0.643117170935} N5 7 -1 8 {} O 0.0 {0.643165906421 0.463816692397 0.675869596756} O3 8 -1 6 {} C 0.0 {0.657723893465 0.466821000079 0.649388699357} C1 9 -1 8 {} O 0.0 {0.687131235729 0.45643663799 0.627788278916} O5 10 -1 1 {} H 0.0 {0.652170633933 0.449015830201 0.623264818436} H3 11 -1 1 {} H 0.0 {0.665028509731 0.457725198049 0.615957147493} H4 12 -1 1 {} H 0.0 {0.656482185929 0.414446174225 0.62050511834} H5 13 -1 1 {} H 0.0 {0.656695266042 0.417403143216 0.603606818333} H6 14 -1 1 {} H 0.0 {0.68704414003 0.440432342463 0.600527696444} H7 15 -1 1 {} H 0.0 {0.672015406704 0.44670187117 0.595117770835} H8 16 -1 1 {} H 0.0 {0.656879092058 0.423895282533 0.653736821694} H9 17 -1 1 {} H 0.0 {0.649510023519 0.415717285444 0.640571319158} H10 18 -1 1 {} H 0.0 {0.660844807919 0.399090574083 0.626282272451} H12 19 -1 1 {} H 0.0 {0.639414382671 0.455533996411 0.670627016588} H15 20 -1 1 {} H 0.0 {0.647285100158 0.465833453058 0.646428200057} H16 21 -1 1 {} H 0.0 {0.663122188711 0.457737436576 0.646765426562} H17 22 -1 1 {} H 0.0 {0.662203656105 0.475323723986 0.644229902046} H18 23 -1 1 {} H 0.0 {0.651706295579 0.492172421093 0.671760268553} H19 24 -1 8 {} O 0.0 {0.529999706786 0.647054290277 0.690164912366} O1 25 -1 8 {} O 0.0 {0.526795084622 0.672412075599 0.67429081045} O2 26 -1 7 {} N 0.0 {0.499629764721 0.667497032256 0.666365048474} N5 27 -1 1 {} H 0.0 {0.490137822449 0.663936837463 0.663087714632} H9 28 -1 1 {} H 0.0 {0.506589238541 0.659426468373 0.664787293711} H10 29 -1 1 {} H 0.0 {0.505950495626 0.64714491606 0.687079646519} H12 30 -1 1 {} H 0.0 {0.507603871217 0.626819660842 0.703882749488} H16 31 -1 1 {} H 0.0 {0.499619313059 0.641873120286 0.698855751367} H17 32 -1 14 {} Si 0.0 {0.406242155492 0.600977078516 0.37367217333} Si1 33 -1 8 {} O 0.0 {0.401188684428 0.612143610487 0.389475418943} O1 34 -1 14 {} Si 0.0 {0.407443535156 0.630314700134 0.391328033083} Si2 35 -1 8 {} O 0.0 {0.411061596982 0.63767016808 0.374757863236} O2 36 -1 14 {} Si 0.0 {0.397031652801 0.648140234007 0.369589087197} Si3 37 -1 7 {} N 0.0 {0.398953408031 0.665198804913 0.37682675506} N1 38 -1 14 {} Si 0.0 {0.411392043351 0.674115724614 0.366354721137} Si4 39 -1 14 {} Si 0.0 {0.406380030746 0.663617497951 0.393921353164} Si5 40 -1 7 {} N 0.0 {0.425533351331 0.679779417923 0.377004401735} N2 41 -1 7 {} N 0.0 {0.403296829097 0.68880455203 0.358396164308} N3 42 -1 7 {} N 0.0 {0.417765286425 0.662635759921 0.353187997029} N4 43 -1 7 {} N 0.0 {0.420736250216 0.675316971345 0.395502491555} N5 44 -1 7 {} N 0.0 {0.393542017648 0.667892266326 0.406672104893} N6 45 -1 7 {} N 0.0 {0.412345263297 0.646296499457 0.396753198119} N7 46 -1 8 {} O 0.0 {0.392772322037 0.589199546335 0.371156908591} O3 47 -1 6 {} C 0.0 {0.422248829586 0.590482675948 0.377242853766} C1 48 -1 8 {} O 0.0 {0.408938828048 0.609986998798 0.357898267991} O4 49 -1 7 {} N 0.0 {0.381120452577 0.640534234928 0.375448907074} N8 50 -1 8 {} O 0.0 {0.396863511115 0.649300516296 0.351228838729} O5 51 -1 1 {} H 0.0 {0.4191815757 0.630556425791 0.399395042824} H1 52 -1 1 {} H 0.0 {0.397282089301 0.638123409667 0.397711234981} H2 53 -1 1 {} H 0.0 {0.429218617326 0.688841519246 0.372801309393} H3 54 -1 1 {} H 0.0 {0.433359032401 0.672473517004 0.375881012834} H4 55 -1 1 {} H 0.0 {0.392848992238 0.686743972333 0.35788649294} H5 56 -1 1 {} H 0.0 {0.406843613199 0.6891510711 0.348253329929} H6 57 -1 1 {} H 0.0 {0.423524767723 0.655110700815 0.358070179929} H7 58 -1 1 {} H 0.0 {0.424636885793 0.668339259918 0.347190254088} H8 59 -1 1 {} H 0.0 {0.427907023343 0.670671552474 0.401879573853} H9 60 -1 1 {} H 0.0 {0.417103527242 0.683960426537 0.400768603449} H10 61 -1 1 {} H 0.0 {0.395795252672 0.677671711216 0.41025827582} H11 62 -1 1 {} H 0.0 {0.395052020424 0.661176916945 0.414945184055} H12 63 -1 1 {} H 0.0 {0.41231946266 0.644639527232 0.407299205973} H13 64 -1 1 {} H 0.0 {0.422643799284 0.646035075462 0.393646791671} H14 65 -1 1 {} H 0.0 {0.393443057865 0.581993900133 0.378599424176} H15 66 -1 1 {} H 0.0 {0.421031989172 0.584152429035 0.38583263074} H16 67 -1 1 {} H 0.0 {0.430466817451 0.596941204621 0.378938699609} H17 68 -1 1 {} H 0.0 {0.424354909992 0.584159456026 0.368618259246} H18 69 -1 1 {} H 0.0 {0.408344067228 0.603196898826 0.349894490084} H19 70 -1 1 {} H 0.0 {0.375108894172 0.638761586071 0.366827066596} H20 71 -1 1 {} H 0.0 {0.376051808538 0.648047458193 0.381224320283} H21 72 -1 1 {} H 0.0 {0.38694702063 0.649740952885 0.347851259942} H22 73 -1 14 {} Si 0.0 {0.565275903784 0.665432374536 0.32133315746} Si1 74 -1 8 {} O 0.0 {0.552614677939 0.671660846472 0.333219479728} O1 75 -1 14 {} Si 0.0 {0.550203691588 0.659512878168 0.346837278787} Si2 76 -1 8 {} O 0.0 {0.560432460789 0.664367599277 0.361332242613} O2 77 -1 14 {} Si 0.0 {0.54947582143 0.671356664136 0.374367998} Si3 78 -1 7 {} N 0.0 {0.54628922221 0.658498207787 0.387437477266} N1 79 -1 14 {} Si 0.0 {0.550825383041 0.666113027828 0.403769611172} Si4 80 -1 14 {} Si 0.0 {0.558130655852 0.644498218925 0.384435684693} Si5 81 -1 7 {} N 0.0 {0.535426619569 0.6700150803 0.413327598531} N2 82 -1 7 {} N 0.0 {0.560305820924 0.681760881885 0.400814957061} N3 83 -1 7 {} N 0.0 {0.561319431243 0.654259762195 0.413500567388} N4 84 -1 7 {} N 0.0 {0.549695201871 0.628323485528 0.38807900274} N5 85 -1 7 {} N 0.0 {0.563794070402 0.644848324796 0.36671018715} N6 86 -1 7 {} N 0.0 {0.572807386333 0.646380390954 0.395560335571} N7 87 -1 8 {} O 0.0 {0.568196534398 0.64754280184 0.324021644873} O3 88 -1 7 {} N 0.0 {0.533335528311 0.676528461663 0.366748955575} N8 89 -1 8 {} O 0.0 {0.557596915658 0.685983704764 0.382025363936} O5 90 -1 1 {} H 0.0 {0.554052373787 0.646499209047 0.342395084812} H1 91 -1 1 {} H 0.0 {0.536427758236 0.659356900149 0.350646298079} H2 92 -1 1 {} H 0.0 {0.529817508352 0.676999773987 0.40756471302} H3 93 -1 1 {} H 0.0 {0.538576015508 0.675209108245 0.422198584152} H4 94 -1 1 {} H 0.0 {0.569101435926 0.679121882315 0.395440585848} H5 95 -1 1 {} H 0.0 {0.563526889323 0.685270623605 0.410455308887} H6 96 -1 1 {} H 0.0 {0.560373756907 0.656925590559 0.423775737816} H7 97 -1 1 {} H 0.0 {0.571535478821 0.65622238195 0.410762694067} H8 98 -1 1 {} H 0.0 {0.557069573481 0.620655625353 0.387334214111} H9 99 -1 1 {} H 0.0 {0.542677757637 0.6266305449 0.380113347655} H10 100 -1 1 {} H 0.0 {0.5578204796 0.637882217383 0.361323568988} H11 101 -1 1 {} H 0.0 {0.573851676123 0.641001801481 0.366604847084} H12 102 -1 1 {} H 0.0 {0.58136270676 0.646732027665 0.389317414008} H13 103 -1 1 {} H 0.0 {0.573545583479 0.637287238446 0.401269743049} H14 104 -1 1 {} H 0.0 {0.573621813604 0.643642274572 0.31590171135} H15 105 -1 1 {} H 0.0 {0.589589295968 0.66780034833 0.324380490283} H16 106 -1 1 {} H 0.0 {0.580733750581 0.680501979393 0.333145899948} H17 107 -1 1 {} H 0.0 {0.52799084294 0.682052940449 0.374125562622} H20 108 -1 1 {} H 0.0 {0.527722815405 0.667515394792 0.365011069581} H21 109 -1 1 {} H 0.0 {0.558413799377 0.693650575312 0.374903806885} H22 110 -1 14 {} Si 0.0 {0.37305989329 0.4199665739 0.36847912236} Si1 111 -1 8 {} O 0.0 {0.378109955971 0.435135328211 0.377199894558} O1 112 -1 14 {} Si 0.0 {0.392302308499 0.431254416406 0.388267076268} Si2 113 -1 8 {} O 0.0 {0.389607030641 0.414607151105 0.395907881765} O2 114 -1 14 {} Si 0.0 {0.401394835862 0.401943449293 0.388919450209} Si3 115 -1 7 {} N 0.0 {0.39212595313 0.388468126439 0.379549150301} N1 116 -1 14 {} Si 0.0 {0.376035598676 0.384936170306 0.387997396455} Si4 117 -1 14 {} Si 0.0 {0.402406349445 0.372377893016 0.380007001681} Si5 118 -1 7 {} N 0.0 {0.378637275655 0.382188446329 0.406196267413} N2 119 -1 7 {} N 0.0 {0.369107386358 0.369768850651 0.380409485708} N3 120 -1 7 {} N 0.0 {0.364245528139 0.398977764484 0.385362996537} N4 121 -1 7 {} N 0.0 {0.391517609261 0.357807843293 0.381026149078} N5 122 -1 7 {} N 0.0 {0.412254715703 0.37078410325 0.364380283895} N6 123 -1 7 {} N 0.0 {0.414036405204 0.37216446686 0.394552481843} N7 124 -1 8 {} O 0.0 {0.357895250013 0.413218425963 0.376837186227} O3 125 -1 6 {} C 0.0 {0.386677279932 0.407389163046 0.369475044479} C1 126 -1 8 {} O 0.0 {0.369748739917 0.423510373332 0.350505373533} O4 127 -1 7 {} N 0.0 {0.410700158243 0.393983510833 0.403039832486} N8 128 -1 8 {} O 0.0 {0.412904230357 0.410057712175 0.377031463706} O5 129 -1 1 {} H 0.0 {0.393079214988 0.441169549576 0.39856940443} H1 130 -1 1 {} H 0.0 {0.404511676922 0.431224893969 0.380786244315} H2 131 -1 1 {} H 0.0 {0.384063431413 0.373089540625 0.407266668949} H3 132 -1 1 {} H 0.0 {0.368898870528 0.380465140542 0.410464398107} H4 133 -1 1 {} H 0.0 {0.372904843028 0.361541510918 0.385910251395} H5 134 -1 1 {} H 0.0 {0.373469348532 0.369174071305 0.37056400446} H6 135 -1 1 {} H 0.0 {0.363161799051 0.403937268311 0.394694601129} H7 136 -1 1 {} H 0.0 {0.354671169389 0.394561684215 0.38309479307} H8 137 -1 1 {} H 0.0 {0.39678467881 0.350083015315 0.376100254637} H9 138 -1 1 {} H 0.0 {0.382990443957 0.359915001634 0.375003335467} H10 139 -1 1 {} H 0.0 {0.405358225168 0.370875996321 0.356258546409} H11 140 -1 1 {} H 0.0 {0.416694008261 0.360987608627 0.36452470671} H12 141 -1 1 {} H 0.0 {0.42213555718 0.365763089081 0.392035237919} H13 142 -1 1 {} H 0.0 {0.408775244458 0.367391283948 0.402655067298} H14 143 -1 1 {} H 0.0 {0.353670056722 0.405507561844 0.371054855585} H15 144 -1 1 {} H 0.0 {0.382343474436 0.397444964443 0.370432761464} H16 145 -1 1 {} H 0.0 {0.3928383147 0.409530436767 0.378040482757} H17 146 -1 1 {} H 0.0 {0.392716707086 0.407877233815 0.36043121806} H18 147 -1 1 {} H 0.0 {0.378563489312 0.422208160501 0.345006677089} H19 148 -1 1 {} H 0.0 {0.416227132573 0.385809682573 0.399214030055} H20 149 -1 1 {} H 0.0 {0.403295959303 0.389889915503 0.40976830188} H21 150 -1 1 {} H 0.0 {0.407538409254 0.412834124133 0.368456698884} H22 151 -1 14 {} Si 0.0 {0.267976509662 0.601821567806 0.555567246485} Si2 152 -1 8 {} O 0.0 {0.276549322541 0.587905901133 0.56430361796} O2 153 -1 7 {} N 0.0 {0.271517208931 0.562971604307 0.580705804601} N1 154 -1 14 {} Si 0.0 {0.25961059106 0.550452152857 0.573755801446} Si4 155 -1 7 {} N 0.0 {0.267512706855 0.533641249798 0.574195695737} N3 156 -1 7 {} N 0.0 {0.255483098971 0.554892133044 0.556190732012} N4 157 -1 7 {} N 0.0 {0.281960935667 0.547503546433 0.604529671359} N7 158 -1 1 {} H 0.0 {0.276635273435 0.60712492134 0.545511355702} H2 159 -1 1 {} H 0.0 {0.272832194308 0.532899689301 0.583405653483} H5 160 -1 1 {} H 0.0 {0.274900283509 0.533511801248 0.566383548685} H6 161 -1 1 {} H 0.0 {0.258853619831 0.546709065634 0.550074333765} H8 162 -1 1 {} H 0.0 {0.287570772533 0.576216274736 0.608502925263} H9 163 -1 1 {} H 0.0 {0.27637469364 0.5385059902 0.603341086259} H13 164 -1 1 {} H 0.0 {0.283625609974 0.548750626318 0.615078655407} H14 165 -1 14 {} Si 0.0 {0.531835218255 0.750159827694 0.490587377318} Si3 166 -1 7 {} N 0.0 {0.532208882479 0.731382762751 0.488053949611} N1 167 -1 14 {} Si 0.0 {0.546566721389 0.724477051669 0.497479324737} Si4 168 -1 14 {} Si 0.0 {0.535446339181 0.727014343448 0.469909164185} Si5 169 -1 7 {} N 0.0 {0.560146934144 0.72003896944 0.485548897675} N2 170 -1 7 {} N 0.0 {0.541030469912 0.708985765893 0.506432610425} N3 171 -1 7 {} N 0.0 {0.553053476544 0.736943674123 0.509624984161} N4 172 -1 7 {} N 0.0 {0.552272413683 0.733005747394 0.464718530554} N5 173 -1 7 {} N 0.0 {0.534911307378 0.708439824178 0.468061637197} N6 174 -1 7 {} N 0.0 {0.522400243175 0.734827983299 0.458964025693} N7 175 -1 8 {} O 0.0 {0.526199526247 0.753836526027 0.507702583588} O5 176 -1 1 {} H 0.0 {0.555613517794 0.714914558722 0.477378797697} H3 177 -1 1 {} H 0.0 {0.566411506802 0.712861272337 0.490554729628} H4 178 -1 1 {} H 0.0 {0.530606559742 0.707838454378 0.504612693811} H5 179 -1 1 {} H 0.0 {0.542137560328 0.710841805118 0.516967139449} H6 180 -1 1 {} H 0.0 {0.561250190225 0.741897414592 0.505096055149} H7 181 -1 1 {} H 0.0 {0.557026582573 0.731465101971 0.518022610927} H8 182 -1 1 {} H 0.0 {0.554189984264 0.728974136564 0.455058837886} H9 183 -1 1 {} H 0.0 {0.559386681953 0.728481587691 0.471361847571} H10 184 -1 1 {} H 0.0 {0.542637118955 0.704426557614 0.474231576051} H11 185 -1 1 {} H 0.0 {0.53769362112 0.706231354119 0.457904546203} H12 186 -1 1 {} H 0.0 {0.512883429383 0.731197671354 0.462127287321} H13 187 -1 1 {} H 0.0 {0.523995494221 0.731012062238 0.449016881329} H14 188 -1 1 {} H 0.0 {0.527002890277 0.267015118776 0.497068181597} H15 189 -1 14 {} Si 0.0 {0.51430504673 0.612409077255 0.370270623022} Si1 190 -1 8 {} O 0.0 {0.498780903633 0.603335227613 0.374678523483} O1 191 -1 14 {} Si 0.0 {0.484643911067 0.615262211315 0.373985686061} Si2 192 -1 8 {} O 0.0 {0.482770734279 0.620890731312 0.357577952741} O2 193 -1 14 {} Si 0.0 {0.467570451574 0.630117976182 0.357844849141} Si3 194 -1 7 {} N 0.0 {0.455249907199 0.621824117132 0.346489739641} N1 195 -1 14 {} Si 0.0 {0.461321312383 0.604335030781 0.340528191404} Si4 196 -1 14 {} Si 0.0 {0.454917057059 0.633101468279 0.331934720061} Si5 197 -1 7 {} N 0.0 {0.447794245771 0.596519076702 0.330390224158} N2 198 -1 7 {} N 0.0 {0.465334614262 0.592867016263 0.35494341942} N3 199 -1 7 {} N 0.0 {0.476567170053 0.605674600553 0.329953899897} N4 200 -1 7 {} N 0.0 {0.445647052104 0.648387400778 0.336622495817} N5 201 -1 7 {} N 0.0 {0.472424287146 0.637858859361 0.327529808464} N6 202 -1 7 {} N 0.0 {0.446710924234 0.624844745135 0.317523061145} N7 203 -1 8 {} O 0.0 {0.514502296524 0.628938237209 0.378534128992} O3 204 -1 6 {} C 0.0 {0.514978525029 0.614789650521 0.351645650251} C1 205 -1 8 {} O 0.0 {0.52893727903 0.602734478797 0.375754486822} O4 206 -1 7 {} N 0.0 {0.470630133895 0.647442216454 0.352068659325} N8 207 -1 8 {} O 0.0 {0.461594032732 0.631163187213 0.375235446016} O5 208 -1 1 {} H 0.0 {0.487298192994 0.626492018649 0.38250645132} H1 209 -1 1 {} H 0.0 {0.472336623076 0.608978214804 0.378044696032} H2 210 -1 1 {} H 0.0 {0.452416959562 0.589543868536 0.323790097675} H3 211 -1 1 {} H 0.0 {0.443668116501 0.604297709678 0.324231873486} H4 212 -1 1 {} H 0.0 {0.475717537918 0.593002789947 0.355931312778} H5 213 -1 1 {} H 0.0 {0.462710035265 0.58283226121 0.351938891524} H6 214 -1 1 {} H 0.0 {0.475877014883 0.598017225649 0.322572403989} H7 215 -1 1 {} H 0.0 {0.484863197134 0.603036779926 0.336253987766} H8 216 -1 1 {} H 0.0 {0.435995936751 0.647585592909 0.332405569043} H9 217 -1 1 {} H 0.0 {0.450544898741 0.656587661497 0.331676493385} H10 218 -1 1 {} H 0.0 {0.478082337045 0.637930938636 0.336568508429} H11 219 -1 1 {} H 0.0 {0.47209290643 0.648022400393 0.324046948745} H12 220 -1 1 {} H 0.0 {0.449168288914 0.630513481767 0.308865893553} H13 221 -1 1 {} H 0.0 {0.436136417314 0.625951930243 0.318985557355} H14 222 -1 1 {} H 0.0 {0.504810463307 0.631439524293 0.381693220309} H15 223 -1 1 {} H 0.0 {0.506131320375 0.620205277227 0.348388577897} H16 224 -1 1 {} H 0.0 {0.515296889035 0.605091697763 0.346741928977} H17 225 -1 1 {} H 0.0 {0.523872270699 0.620457046518 0.349025305021} H18 226 -1 1 {} H 0.0 {0.530468794014 0.594718370922 0.369180980729} H19 227 -1 1 {} H 0.0 {0.463959134964 0.653747921176 0.357564279377} H20 228 -1 1 {} H 0.0 {0.467485380999 0.647892106697 0.341858525251} H21 229 -1 1 {} H 0.0 {0.469854441112 0.631790792973 0.381726002108} H22 230 -1 14 {} Si 0.0 {0.494044549405 0.331044162133 0.512558578165} Si1 231 -1 8 {} O 0.0 {0.491001269619 0.329586024456 0.494461274125} O1 232 -1 14 {} Si 0.0 {0.493393579653 0.312083566026 0.489296422963} Si2 233 -1 8 {} O 0.0 {0.477034196241 0.303447068111 0.488299960118} O2 234 -1 14 {} Si 0.0 {0.463499588989 0.315830765679 0.486963708872} Si3 235 -1 7 {} N 0.0 {0.450376563798 0.31227011816 0.49992948262} N1 236 -1 14 {} Si 0.0 {0.436630855802 0.301653225425 0.492828688606} Si4 237 -1 14 {} Si 0.0 {0.442860467518 0.32849576263 0.504788720071} Si5 238 -1 7 {} N 0.0 {0.431941061961 0.307363802228 0.475826336179} N2 239 -1 7 {} N 0.0 {0.421709374912 0.303028255258 0.503887863548} N3 240 -1 7 {} N 0.0 {0.44214419928 0.283821836362 0.492312235815} N4 241 -1 7 {} N 0.0 {0.455503531637 0.338475994466 0.514084647427} N5 242 -1 7 {} N 0.0 {0.437504809715 0.337784175993 0.489630780232} N6 243 -1 7 {} N 0.0 {0.428055762683 0.325501809175 0.515624088803} N7 244 -1 8 {} O 0.0 {0.479058089939 0.337814341544 0.52076837169} O3 245 -1 6 {} C 0.0 {0.508555531739 0.342451967854 0.515689120034} C1 246 -1 8 {} O 0.0 {0.497925424641 0.314518266777 0.519438856261} O4 247 -1 7 {} N 0.0 {0.456286998175 0.31526241134 0.469909701654} N8 248 -1 8 {} O 0.0 {0.470494133298 0.332542324966 0.489894737962} O5 249 -1 1 {} H 0.0 {0.501693217259 0.305446447036 0.498884946993} H1 250 -1 1 {} H 0.0 {0.49975017268 0.31172338587 0.476486815519} H2 251 -1 1 {} H 0.0 {0.423870956573 0.314216622129 0.476947178441} H3 252 -1 1 {} H 0.0 {0.427950877506 0.298785166113 0.470764127595} H4 253 -1 1 {} H 0.0 {0.424546274494 0.308920090582 0.512299208295} H5 254 -1 1 {} H 0.0 {0.419709932372 0.293142007371 0.5076225407} H6 255 -1 1 {} H 0.0 {0.435853014452 0.278743545605 0.485366401797} H7 256 -1 1 {} H 0.0 {0.439975957208 0.27963510527 0.50198338319} H8 257 -1 1 {} H 0.0 {0.45929588361 0.345801743011 0.507375553274} H9 258 -1 1 {} H 0.0 {0.463653738912 0.331820931951 0.516288808563} H10 259 -1 1 {} H 0.0 {0.439682346692 0.331662874446 0.48122133506} H11 260 -1 1 {} H 0.0 {0.443868961676 0.346375127315 0.488904571057} H12 261 -1 1 {} H 0.0 {0.419641482968 0.324285106711 0.509183236607} H13 262 -1 1 {} H 0.0 {0.426379429705 0.33457806037 0.521142791988} H14 263 -1 1 {} H 0.0 {0.481734761084 0.341987876624 0.530014525986} H15 264 -1 1 {} H 0.0 {0.504903077362 0.352018493831 0.51944929562} H16 265 -1 1 {} H 0.0 {0.514028596751 0.343995855205 0.506381346443} H17 266 -1 1 {} H 0.0 {0.515175493639 0.3379455282 0.523090149346} H18 267 -1 1 {} H 0.0 {0.50831814103 0.31366472281 0.52075561309} H19 268 -1 1 {} H 0.0 {0.445758488522 0.314294247872 0.470910965114} H20 269 -1 1 {} H 0.0 {0.459861136987 0.306190670355 0.465413315164} H21 270 -1 1 {} H 0.0 {0.478779685068 0.334004819767 0.483600143779} H22 271 -1 14 {} Si 0.0 {0.661455504237 0.58651200945 0.502881384432} Si1 272 -1 8 {} O 0.0 {0.654093963289 0.597678593091 0.515519027702} O1 273 -1 14 {} Si 0.0 {0.642196136916 0.588048965291 0.525761407798} Si2 274 -1 8 {} O 0.0 {0.624838429621 0.594277128701 0.522981677952} O2 275 -1 14 {} Si 0.0 {0.615222820024 0.59355984798 0.538829722026} Si3 276 -1 7 {} N 0.0 {0.599903540865 0.583077970416 0.536936720809} N1 277 -1 14 {} Si 0.0 {0.585640788721 0.594072327512 0.531931458692} Si4 278 -1 14 {} Si 0.0 {0.596423202915 0.576577648217 0.554036882819} Si5 279 -1 7 {} N 0.0 {0.590759630436 0.604986261221 0.517793817242} N2 280 -1 7 {} N 0.0 {0.58033938343 0.60466349442 0.546281135729} N3 281 -1 7 {} N 0.0 {0.571389656148 0.583388772616 0.526631294993} N4 282 -1 7 {} N 0.0 {0.613160730761 0.574313085391 0.562530143731} N5 283 -1 7 {} N 0.0 {0.58624428935 0.58930766678 0.56327634711} N6 284 -1 7 {} N 0.0 {0.587191981609 0.560563180446 0.552852236295} N7 285 -1 8 {} O 0.0 {0.676378236941 0.594227447106 0.495581020742} O3 286 -1 6 {} C 0.0 {0.648911555104 0.583445699749 0.48929599775} C1 287 -1 8 {} O 0.0 {0.666138630627 0.570564291785 0.510775817109} O4 288 -1 7 {} N 0.0 {0.610513847834 0.610921676829 0.543900164452} N8 289 -1 8 {} O 0.0 {0.625832688884 0.5858008398 0.552072236606} O5 290 -1 1 {} H 0.0 {0.645657556736 0.589358381034 0.539567795942} H1 291 -1 1 {} H 0.0 {0.642911235441 0.574248683643 0.522038023813} H2 292 -1 1 {} H 0.0 {0.58259281665 0.611517550603 0.515719207992} H3 293 -1 1 {} H 0.0 {0.591835621182 0.598635920845 0.509211810873} H4 294 -1 1 {} H 0.0 {0.588822294722 0.606101928463 0.552469019426} H5 295 -1 1 {} H 0.0 {0.57333761413 0.598842888218 0.551991427482} H6 296 -1 1 {} H 0.0 {0.573053801595 0.580720059144 0.516452283745} H7 297 -1 1 {} H 0.0 {0.56262184467 0.589624163696 0.526789015621} H8 298 -1 1 {} H 0.0 {0.611603984002 0.571229405201 0.572312606024} H9 299 -1 1 {} H 0.0 {0.617563586367 0.583959078943 0.563269863797} H10 300 -1 1 {} H 0.0 {0.592690404646 0.594195681009 0.570190400699} H11 301 -1 1 {} H 0.0 {0.579050024049 0.583949413919 0.56910312939} H12 302 -1 1 {} H 0.0 {0.57693345496 0.562669679175 0.555018122378} H13 303 -1 1 {} H 0.0 {0.590822721463 0.554328845335 0.560789129545} H14 304 -1 1 {} H 0.0 {0.680785349778 0.587465970051 0.488835806853} H15 305 -1 1 {} H 0.0 {0.654112444781 0.581475807285 0.479922990068} H16 306 -1 1 {} H 0.0 {0.642585244436 0.59224567783 0.48816089961} H17 307 -1 1 {} H 0.0 {0.642781026637 0.574896589588 0.491905926013} H18 308 -1 1 {} H 0.0 {0.660676656054 0.569308501868 0.519649207382} H19 309 -1 1 {} H 0.0 {0.613709686306 0.61230814258 0.553947974761} H20 310 -1 1 {} H 0.0 {0.599800255973 0.611341160829 0.543984670809} H21 311 -1 1 {} H 0.0 {0.635675283934 0.589464534881 0.551650312681} H22 312 -1 8 {} O 0.0 {0.614816802407 0.597641776511 0.302464746046} O2 313 -1 7 {} N 0.0 {0.630323357683 0.604758118664 0.314415879957} N5 314 -1 8 {} O 0.0 {0.625586143096 0.57134773069 0.2929397004} O5 315 -1 1 {} H 0.0 {0.616574418732 0.621197465193 0.3149119665} H1 316 -1 1 {} H 0.0 {0.629992424032 0.613248854639 0.320825294815} H9 317 -1 1 {} H 0.0 {0.633005729999 0.596359940896 0.320593310454} H10 318 -1 1 {} H 0.0 {0.593713945015 0.643629494252 0.308199034642} H16 319 -1 1 {} H 0.0 {0.61816235963 0.566019731158 0.287769961347} H22 320 -1 14 {} Si 0.0 {0.646064623652 0.43655355039 0.437059619587} Si1 321 -1 8 {} O 0.0 {0.655478171481 0.451798285093 0.433431622866} O1 322 -1 14 {} Si 0.0 {0.644219089559 0.466380992802 0.433586015456} Si2 323 -1 8 {} O 0.0 {0.633167937262 0.465472369753 0.448154399905} O2 324 -1 14 {} Si 0.0 {0.621135932033 0.478866518073 0.446214962725} Si3 325 -1 7 {} N 0.0 {0.609829199713 0.474047571107 0.430663581271} N1 326 -1 14 {} Si 0.0 {0.618510617601 0.460357985171 0.421239720704} Si4 327 -1 14 {} Si 0.0 {0.606976672602 0.487881613229 0.417873843639} Si5 328 -1 7 {} N 0.0 {0.624340204818 0.466899792584 0.404875080956} N2 329 -1 7 {} N 0.0 {0.606672238227 0.446283656562 0.418360961027} N3 330 -1 7 {} N 0.0 {0.633137388316 0.45415664137 0.430961506501} N4 331 -1 7 {} N 0.0 {0.622435090052 0.500930336329 0.419086050925} N5 332 -1 7 {} N 0.0 {0.607002011162 0.480235709908 0.400914272672} N6 333 -1 7 {} N 0.0 {0.590449917979 0.49614567141 0.420598907027} N7 334 -1 8 {} O 0.0 {0.634929767036 0.432566183263 0.422970796268} O3 335 -1 6 {} C 0.0 {0.635951555556 0.439329905312 0.452392098308} C1 336 -1 8 {} O 0.0 {0.657725626583 0.422621050035 0.439864394233} O4 337 -1 7 {} N 0.0 {0.63148722235 0.495027960323 0.445378228538} N8 338 -1 8 {} O 0.0 {0.610556645213 0.479764503782 0.461238330538} O5 339 -1 1 {} H 0.0 {0.636318525579 0.466476903454 0.421649162392} H1 340 -1 1 {} H 0.0 {0.651845214019 0.478477063278 0.434191807128} H2 341 -1 1 {} H 0.0 {0.617461531415 0.463484284139 0.397492145166} H3 342 -1 1 {} H 0.0 {0.633718914447 0.462067626509 0.402789938272} H4 343 -1 1 {} H 0.0 {0.602608976731 0.443540541358 0.427837717932} H5 344 -1 1 {} H 0.0 {0.612589582569 0.437929774364 0.415038028553} H6 345 -1 1 {} H 0.0 {0.640748641204 0.451900734147 0.423966194549} H7 346 -1 1 {} H 0.0 {0.630268945081 0.444839793683 0.435401491645} H8 347 -1 1 {} H 0.0 {0.620274148058 0.509738115245 0.413466682332} H9 348 -1 1 {} H 0.0 {0.630981989864 0.496144572644 0.41449109727} H10 349 -1 1 {} H 0.0 {0.616980212161 0.480665314213 0.397281878989} H11 350 -1 1 {} H 0.0 {0.60114927788 0.486681073502 0.394597794371} H12 351 -1 1 {} H 0.0 {0.582744239769 0.489115638607 0.418356096874} H13 352 -1 1 {} H 0.0 {0.589580379568 0.504016195877 0.413332310551} H14 353 -1 1 {} H 0.0 {0.628242066386 0.424992503023 0.425856066348} H15 354 -1 1 {} H 0.0 {0.627417867258 0.445679639345 0.449993348387} H16 355 -1 1 {} H 0.0 {0.642147362101 0.444207742683 0.459933126479} H17 356 -1 1 {} H 0.0 {0.632456520546 0.429783341538 0.456154205193} H18 357 -1 1 {} H 0.0 {0.654120482848 0.416583115251 0.447665152615} H19 358 -1 1 {} H 0.0 {0.625013768648 0.503311470525 0.444149133668} H20 359 -1 1 {} H 0.0 {0.637828542026 0.494481555581 0.436697807099} H21 360 -1 1 {} H 0.0 {0.616302088384 0.483040038168 0.469391811068} H22 361 -1 14 {} Si 0.0 {0.648910529907 0.564446535293 0.307009487235} Si3 362 -1 7 {} N 0.0 {0.640403187846 0.548186661329 0.31025742029} N1 363 -1 14 {} Si 0.0 {0.642397072437 0.544117484816 0.328950435628} Si4 364 -1 14 {} Si 0.0 {0.649796020319 0.536066489178 0.299428340717} Si5 365 -1 7 {} N 0.0 {0.650458280563 0.527523679763 0.331906421458} N2 366 -1 7 {} N 0.0 {0.625714204751 0.543712244764 0.337202779036} N3 367 -1 7 {} N 0.0 {0.652491877758 0.557489739579 0.337143209388} N4 368 -1 7 {} N 0.0 {0.655609160031 0.520996561836 0.308989870438} N5 369 -1 7 {} N 0.0 {0.637112049003 0.578606976245 0.309915012426} N8 370 -1 8 {} O 0.0 {0.663034353877 0.566235306675 0.318679549368} O5 371 -1 1 {} H 0.0 {0.659917937382 0.529259829166 0.336445375783} H3 372 -1 1 {} H 0.0 {0.652353522348 0.523214370619 0.322483711282} H4 373 -1 1 {} H 0.0 {0.618365509032 0.544447176656 0.329665825695} H5 374 -1 1 {} H 0.0 {0.624927804714 0.552575790612 0.343217800589} H6 375 -1 1 {} H 0.0 {0.660777612479 0.552775359613 0.341946139514} H7 376 -1 1 {} H 0.0 {0.646350655422 0.561599090967 0.344970901889} H8 377 -1 1 {} H 0.0 {0.646960748211 0.514874642847 0.310960091083} H10 378 -1 1 {} H 0.0 {0.629090160187 0.574888969314 0.315808025208} H20 379 -1 1 {} H 0.0 {0.633022279287 0.58123909427 0.300465968257} H21 380 -1 8 {} O 0.0 {0.493625068534 0.523189417316 0.241503629456} O1 381 -1 7 {} N 0.0 {0.461692225684 0.496312566221 0.724160298241} N2 382 -1 7 {} N 0.0 {0.482104457369 0.508599523613 0.731463990054} N7 383 -1 1 {} H 0.0 {0.457395024745 0.488189134989 0.718791295763} H3 384 -1 1 {} H 0.0 {0.472041769419 0.493842710312 0.72570282329} H4 385 -1 1 {} H 0.0 {0.488779652723 0.500477857693 0.733145502826} H13 386 -1 1 {} H 0.0 {0.487951214553 0.516515064691 0.727121141905} H14 387 -1 1 {} H 0.0 {0.516327654365 0.504176244154 0.244597031445} H17 388 -1 14 {} Si 0.0 {0.313199108158 0.349695030421 0.470296390102} Si1 389 -1 14 {} Si 0.0 {0.323746521896 0.338978112274 0.443905728877} Si2 390 -1 8 {} O 0.0 {0.309659015756 0.367637838764 0.468533136967} O3 391 -1 6 {} C 0.0 {0.33143526048 0.347207709358 0.474153737994} C1 392 -1 1 {} H 0.0 {0.333920692812 0.331945029741 0.451062886947} H1 393 -1 1 {} H 0.0 {0.328620116144 0.351870288723 0.440063535155} H2 394 -1 1 {} H 0.0 {0.317234732706 0.372118127214 0.46292934575} H15 395 -1 1 {} H 0.0 {0.337335243818 0.354644355615 0.468807657671} H16 396 -1 1 {} H 0.0 {0.334483224993 0.337222753295 0.471042678816} H17 397 -1 1 {} H 0.0 {0.33305245421 0.348317216229 0.484885248463} H18 398 -1 1 {} H 0.0 {0.307525226941 0.345526531208 0.493238690026} H19 399 -1 7 {} N 0.0 {0.434691446896 0.733757216964 0.408709514183} N5 400 -1 7 {} N 0.0 {0.406835302718 0.72193752882 0.410871398992} N6 401 -1 1 {} H 0.0 {0.440069414305 0.726197168619 0.403480082585} H9 402 -1 1 {} H 0.0 {0.433818503175 0.730408907605 0.418895244035} H10 403 -1 1 {} H 0.0 {0.409883876537 0.722139709316 0.421080771814} H11 404 -1 1 {} H 0.0 {0.409383282629 0.712188219544 0.407108611932} H12 405 -1 1 {} H 0.0 {0.424647574891 0.72117875216 0.382828903916} H14 406 -1 1 {} H 0.0 {0.426207377082 0.74111203208 0.434847452034} H22 407 -1 1 {} H 0.0 {0.532533204574 0.710814165913 0.350720408974} H20 408 -1 7 {} N 0.0 {0.672257591943 0.43033868007 0.359191508305} N3 409 -1 1 {} H 0.0 {0.676697061296 0.43281168867 0.368518684817} H5 410 -1 1 {} H 0.0 {0.665858009233 0.421867585503 0.360958925547} H6 411 -1 14 {} Si 0.0 {0.474981676486 0.502534130051 0.599745607404} Si1 412 -1 8 {} O 0.0 {0.486469190752 0.492228860236 0.609941669844} O1 413 -1 14 {} Si 0.0 {0.47810335831 0.476685328897 0.615186648533} Si2 414 -1 8 {} O 0.0 {0.470662057883 0.478767048694 0.632267729428} O2 415 -1 14 {} Si 0.0 {0.483386836978 0.476556738888 0.646017718551} Si3 416 -1 7 {} N 0.0 {0.479654275491 0.460552605123 0.655666865298} N1 417 -1 14 {} Si 0.0 {0.48110640197 0.463700068558 0.674104841336} Si4 418 -1 14 {} Si 0.0 {0.49223590097 0.447039636564 0.651920394286} Si5 419 -1 7 {} N 0.0 {0.485181298746 0.447677871384 0.682611653124} N2 420 -1 7 {} N 0.0 {0.464988259399 0.470031307528 0.680659407187} N3 421 -1 7 {} N 0.0 {0.494544464882 0.476018258305 0.677682604863} N4 422 -1 7 {} N 0.0 {0.491596688251 0.442055938981 0.633960655783} N5 423 -1 7 {} N 0.0 {0.509344805915 0.452713630902 0.65646966159} N6 424 -1 7 {} N 0.0 {0.487979197804 0.432187398086 0.662343735863} N7 425 -1 8 {} O 0.0 {0.463189499239 0.511420282512 0.610702886667} O3 426 -1 6 {} C 0.0 {0.465394364485 0.491551312761 0.587898676406} C1 427 -1 8 {} O 0.0 {0.484758234392 0.514808739474 0.590121010758} O4 428 -1 7 {} N 0.0 {0.481893133804 0.491271770247 0.657483348296} N8 429 -1 8 {} O 0.0 {0.500441561259 0.475963885965 0.638941852484} O5 430 -1 1 {} H 0.0 {0.487556944154 0.466076267404 0.615410336602} H1 431 -1 1 {} H 0.0 {0.467780704052 0.473482011865 0.605795967963} H2 432 -1 1 {} H 0.0 {0.487402254444 0.449971463642 0.692772367899} H3 433 -1 1 {} H 0.0 {0.494320814145 0.444086426656 0.678212099815} H4 434 -1 1 {} H 0.0 {0.457280379028 0.465752742035 0.674685176744} H5 435 -1 1 {} H 0.0 {0.464853017444 0.480624478043 0.678794428949} H6 436 -1 1 {} H 0.0 {0.503490988164 0.470501433984 0.67942553809} H7 437 -1 1 {} H 0.0 {0.491986535323 0.480703730338 0.687018975852} H8 438 -1 1 {} H 0.0 {0.493376984373 0.450709077097 0.628141466373} H9 439 -1 1 {} H 0.0 {0.481466803356 0.439015461492 0.631956070189} H10 440 -1 1 {} H 0.0 {0.509206737199 0.463328324581 0.65679367179} H11 441 -1 1 {} H 0.0 {0.515794739147 0.449929986572 0.648338207121} H12 442 -1 1 {} H 0.0 {0.497021908086 0.426863731892 0.664146144411} H13 443 -1 1 {} H 0.0 {0.481811387678 0.425796515338 0.656262728412} H14 444 -1 1 {} H 0.0 {0.461762494299 0.521173758563 0.607114710073} H15 445 -1 1 {} H 0.0 {0.459315227751 0.484515964454 0.593574434879} H16 446 -1 1 {} H 0.0 {0.472364825624 0.486062579799 0.581579156406} H17 447 -1 1 {} H 0.0 {0.458929133855 0.497731560006 0.58166178565} H18 448 -1 1 {} H 0.0 {0.478918971858 0.518493915676 0.582213490836} H19 449 -1 1 {} H 0.0 {0.490874105136 0.496952367475 0.656666080157} H20 450 -1 1 {} H 0.0 {0.481518332185 0.487437566643 0.667532484528} H21 451 -1 1 {} H 0.0 {0.507472156837 0.476987087153 0.646667142976} H22 452 -1 14 {} Si 0.0 {0.500248358307 0.60774970298 0.261774677126} Si2 453 -1 8 {} O 0.0 {0.5028866662 0.609473860785 0.279876875728} O2 454 -1 14 {} Si 0.0 {0.487008365028 0.60806040243 0.289280032137} Si3 455 -1 7 {} N 0.0 {0.474765574121 0.621679678218 0.284346426874} N1 456 -1 14 {} Si 0.0 {0.461502052213 0.622115651304 0.297186083473} Si4 457 -1 14 {} Si 0.0 {0.466031648525 0.618138022287 0.268069590593} Si5 458 -1 7 {} N 0.0 {0.445882666334 0.628767620849 0.289620166128} N2 459 -1 7 {} N 0.0 {0.466766587348 0.632942942886 0.311139386062} N3 460 -1 7 {} N 0.0 {0.458545945616 0.605009432663 0.30366986705} N4 461 -1 7 {} N 0.0 {0.456380739142 0.60202073944 0.269113669035} N6 462 -1 7 {} N 0.0 {0.491077565471 0.610345077092 0.307643565371} N8 463 -1 8 {} O 0.0 {0.479972803606 0.590945186964 0.286975931791} O5 464 -1 1 {} H 0.0 {0.508300692511 0.597021553019 0.256783768903} H1 465 -1 1 {} H 0.0 {0.486515555438 0.604956528678 0.259202095136} H2 466 -1 1 {} H 0.0 {0.442305177745 0.636501176763 0.296003258627} H3 467 -1 1 {} H 0.0 {0.438636074467 0.620839129449 0.290038442713} H4 468 -1 1 {} H 0.0 {0.476581344678 0.636449652974 0.308889976077} H5 469 -1 1 {} H 0.0 {0.467674967377 0.626497926142 0.31967700164} H6 470 -1 1 {} H 0.0 {0.456044979746 0.59892887966 0.295396020011} H7 471 -1 1 {} H 0.0 {0.449780444946 0.605538948601 0.309849038476} H8 472 -1 1 {} H 0.0 {0.460779802268 0.596088893616 0.276670860333} H11 473 -1 1 {} H 0.0 {0.457605965327 0.596743693171 0.259823515771} H12 474 -1 1 {} H 0.0 {0.489950987 0.620630877176 0.309922074719} H20 475 -1 1 {} H 0.0 {0.501560928539 0.608035930174 0.308991575167} H21 476 -1 1 {} H 0.0 {0.471234858174 0.589724157279 0.292749592302} H22 477 -1 14 {} Si 0.0 {0.36573076559 0.41843137498 0.406829474813} Si1 478 -1 8 {} O 0.0 {0.365271700651 0.430358530968 0.421621381976} O1 479 -1 14 {} Si 0.0 {0.348617128136 0.439044292143 0.424513145395} Si2 480 -1 8 {} O 0.0 {0.342585582441 0.434412697736 0.44162393537} O2 481 -1 14 {} Si 0.0 {0.324448470355 0.431821057892 0.442519709583} Si3 482 -1 7 {} N 0.0 {0.321418662821 0.414911646759 0.44921553126} N1 483 -1 14 {} Si 0.0 {0.338094416599 0.40864724769 0.456049708125} Si4 484 -1 14 {} Si 0.0 {0.31557982002 0.404585877367 0.434745790613} Si5 485 -1 7 {} N 0.0 {0.345481610246 0.422179724952 0.466319514501} N2 486 -1 7 {} N 0.0 {0.349971807952 0.403623260272 0.442307142797} N3 487 -1 7 {} N 0.0 {0.335508020759 0.394195543901 0.467401360814} N4 488 -1 7 {} N 0.0 {0.297101294438 0.406096953371 0.433384161434} N5 489 -1 7 {} N 0.0 {0.3233343063 0.410976017917 0.419063131011} N6 490 -1 7 {} N 0.0 {0.320133827016 0.386778896877 0.437095574403} N7 491 -1 8 {} O 0.0 {0.376691465264 0.425051278006 0.393650092735} O3 492 -1 6 {} C 0.0 {0.348975953445 0.416274977568 0.399409501106} C1 493 -1 8 {} O 0.0 {0.372101749168 0.402003611746 0.412224094699} O4 494 -1 7 {} N 0.0 {0.316725504151 0.433407630509 0.425699982104} N8 495 -1 8 {} O 0.0 {0.317102706012 0.444242585449 0.453995555858} O5 496 -1 1 {} H 0.0 {0.339285464746 0.435567516587 0.414314301824} H1 497 -1 1 {} H 0.0 {0.35048341319 0.453239616432 0.424674915239} H2 498 -1 1 {} H 0.0 {0.346147339064 0.418551850219 0.47630079474} H3 499 -1 1 {} H 0.0 {0.338335075558 0.430216606787 0.466445839918} H4 500 -1 1 {} H 0.0 {0.346603073759 0.407919429458 0.4332118905} H5 501 -1 1 {} H 0.0 {0.349054423249 0.392960161226 0.441167534755} H6 502 -1 1 {} H 0.0 {0.325063438192 0.392144200703 0.467789411936} H7 503 -1 1 {} H 0.0 {0.33842119047 0.397629262116 0.477176583534} H8 504 -1 1 {} H 0.0 {0.293444986902 0.408970394079 0.442979266258} H9 505 -1 1 {} H 0.0 {0.293317484177 0.396214263241 0.431495835811} H10 506 -1 1 {} H 0.0 {0.318667708042 0.405908791351 0.410939966202} H11 507 -1 1 {} H 0.0 {0.333609921549 0.407808963524 0.419150959211} H12 508 -1 1 {} H 0.0 {0.330742925206 0.38598893468 0.436101698003} H13 509 -1 1 {} H 0.0 {0.315865607166 0.381402382991 0.428802064379} H14 510 -1 1 {} H 0.0 {0.377235560716 0.418117905888 0.38577976458} H15 511 -1 1 {} H 0.0 {0.346843744177 0.425010566753 0.393151441495} H16 512 -1 1 {} H 0.0 {0.341610792034 0.415268246832 0.407401574719} H17 513 -1 1 {} H 0.0 {0.348812222551 0.407363655558 0.393208992956} H18 514 -1 1 {} H 0.0 {0.367448516686 0.39917690673 0.421179762194} H19 515 -1 1 {} H 0.0 {0.308088133356 0.439571158681 0.426782632707} H20 516 -1 1 {} H 0.0 {0.313166914903 0.423635399451 0.423018857998} H21 517 -1 1 {} H 0.0 {0.323985276262 0.452030864624 0.455602202771} H22 518 -1 14 {} Si 0.0 {0.36437589894 0.447332148263 0.421652334416} Si1 519 -1 8 {} O 0.0 {0.357218967094 0.439511478058 0.436988779201} O1 520 -1 14 {} Si 0.0 {0.348399895269 0.42358236627 0.43199195866} Si2 521 -1 8 {} O 0.0 {0.36080437495 0.41275698384 0.424502966147} O2 522 -1 14 {} Si 0.0 {0.377155498818 0.41902431171 0.429911026728} Si3 523 -1 7 {} N 0.0 {0.389583296584 0.405682181676 0.428573414059} N1 524 -1 14 {} Si 0.0 {0.403098211784 0.409212500538 0.440528873221} Si4 525 -1 14 {} Si 0.0 {0.396664900639 0.408063449564 0.412064087391} Si5 526 -1 7 {} N 0.0 {0.419257047396 0.404464743186 0.432762257249} N2 527 -1 7 {} N 0.0 {0.400439206696 0.399438175971 0.456060053021} N3 528 -1 7 {} N 0.0 {0.403272018816 0.427281974353 0.444281949376} N4 529 -1 7 {} N 0.0 {0.395412391255 0.426052007558 0.407836774228} N5 530 -1 7 {} N 0.0 {0.414808100283 0.40378975623 0.412497792989} N6 531 -1 7 {} N 0.0 {0.386598817347 0.397363217928 0.400117182417} N7 532 -1 8 {} O 0.0 {0.35824125427 0.464688583966 0.420001977146} O3 533 -1 6 {} C 0.0 {0.358591913738 0.437059062917 0.406723206608} C1 534 -1 8 {} O 0.0 {0.382751184569 0.447606152852 0.422540208477} O4 535 -1 7 {} N 0.0 {0.375895722584 0.425085545124 0.447343733518} N8 536 -1 8 {} O 0.0 {0.382538217311 0.432856648432 0.418992035453} O5 537 -1 1 {} H 0.0 {0.337941976958 0.426107183919 0.422777941735} H1 538 -1 1 {} H 0.0 {0.342821940417 0.417379126131 0.443462174777} H2 539 -1 1 {} H 0.0 {0.423607968849 0.396906265897 0.438754828214} H3 540 -1 1 {} H 0.0 {0.425647919158 0.413067822828 0.43350233778} H4 541 -1 1 {} H 0.0 {0.395047634452 0.390637717929 0.45335645851} H5 542 -1 1 {} H 0.0 {0.393885919117 0.405262334027 0.46230078009} H6 543 -1 1 {} H 0.0 {0.401145600134 0.432370269234 0.435130094366} H7 544 -1 1 {} H 0.0 {0.413378760121 0.42978880899 0.446876164957} H8 545 -1 1 {} H 0.0 {0.385891964269 0.427744330804 0.403826344393} H9 546 -1 1 {} H 0.0 {0.402541957208 0.427861915209 0.399993259238} H10 547 -1 1 {} H 0.0 {0.419397328711 0.41058504988 0.41923294655} H11 548 -1 1 {} H 0.0 {0.418780008581 0.406146692511 0.402810444237} H12 549 -1 1 {} H 0.0 {0.391869758052 0.388498830743 0.398509273575} H13 550 -1 1 {} H 0.0 {0.385992910854 0.402399383444 0.390632176694} H14 551 -1 1 {} H 0.0 {0.366101868257 0.470881600436 0.416851035184} H15 552 -1 1 {} H 0.0 {0.367061113901 0.434554600911 0.400463314429} H16 553 -1 1 {} H 0.0 {0.351471390421 0.442598989272 0.400931696954} H17 554 -1 1 {} H 0.0 {0.353826406921 0.427958283049 0.410310321958} H18 555 -1 1 {} H 0.0 {0.38584146718 0.443842590534 0.431799701655} H19 556 -1 1 {} H 0.0 {0.37165489967 0.434881809581 0.446933786612} H20 557 -1 1 {} H 0.0 {0.385927760846 0.426237348202 0.450921906278} H21 558 -1 1 {} H 0.0 {0.375151847916 0.434945113811 0.411925013623} H22 559 -1 8 {} O 0.0 {0.651135145099 0.658573941647 0.378209823627} O1 560 -1 14 {} Si 0.0 {0.655231714581 0.641211287094 0.382704603476} Si2 561 -1 8 {} O 0.0 {0.670008405524 0.635464768974 0.373067091882} O2 562 -1 14 {} Si 0.0 {0.665105429602 0.627504802607 0.356899127153} Si3 563 -1 7 {} N 0.0 {0.647096011707 0.624481075152 0.356906849508} N1 564 -1 14 {} Si 0.0 {0.639289986763 0.641249258948 0.358472051845} Si4 565 -1 14 {} Si 0.0 {0.643956414193 0.614871799011 0.372339679762} Si5 566 -1 7 {} N 0.0 {0.627240401733 0.641501927438 0.37253262222} N2 567 -1 7 {} N 0.0 {0.630563960126 0.645588833385 0.342630886636} N3 568 -1 7 {} N 0.0 {0.644054242415 0.596775851736 0.368269599832} N5 569 -1 7 {} N 0.0 {0.657464393935 0.618436451387 0.384561471169} N6 570 -1 7 {} N 0.0 {0.627698378055 0.619612814313 0.379587148581} N7 571 -1 7 {} N 0.0 {0.674119280417 0.611403842416 0.355060292862} N8 572 -1 1 {} H 0.0 {0.64404730927 0.632733496951 0.379982005239} H1 573 -1 1 {} H 0.0 {0.658304326811 0.640796803128 0.39658124968} H2 574 -1 1 {} H 0.0 {0.620565373469 0.649557745838 0.370733007891} H3 575 -1 1 {} H 0.0 {0.632815996922 0.644072500467 0.381348008232} H4 576 -1 1 {} H 0.0 {0.633204228429 0.638188336093 0.335439418647} H5 577 -1 1 {} H 0.0 {0.658794013974 0.649861537907 0.369326953396} H7 578 -1 1 {} H 0.0 {0.634128212891 0.593285334158 0.369277298587} H9 579 -1 1 {} H 0.0 {0.649815621504 0.591920317725 0.375936876249} H10 580 -1 1 {} H 0.0 {0.666346327801 0.620287320287 0.378980569748} H11 581 -1 1 {} H 0.0 {0.659143970041 0.609341366382 0.390027783859} H12 582 -1 1 {} H 0.0 {0.628629029756 0.618777268225 0.390165238645} H13 583 -1 1 {} H 0.0 {0.620670596445 0.612092515432 0.37647000782} H14 584 -1 1 {} H 0.0 {0.668418975706 0.6040565896 0.360444714982} H21 585 -1 14 {} Si 0.0 {0.69392014341 0.50425869715 0.55779876666} Si1 586 -1 8 {} O 0.0 {0.710730583716 0.502898501065 0.550399231594} O1 587 -1 14 {} Si 0.0 {0.723383088038 0.503997847297 0.563733998381} Si2 588 -1 8 {} O 0.0 {0.694148589519 0.497332837923 0.574831129847} O3 589 -1 6 {} C 0.0 {0.681621225571 0.49466112488 0.547328131447} C1 590 -1 8 {} O 0.0 {0.688886330677 0.52193841483 0.558424882053} O4 591 -1 1 {} H 0.0 {0.716904430588 0.506394631163 0.576255050728} H1 592 -1 1 {} H 0.0 {0.687513621667 0.489212757979 0.575375877802} H15 593 -1 1 {} H 0.0 {0.684857988587 0.484274030758 0.54651689429} H16 594 -1 1 {} H 0.0 {0.681070284897 0.499113785613 0.537388480952} H17 595 -1 1 {} H 0.0 {0.671798310959 0.495036032819 0.55200885763} H18 596 -1 1 {} H 0.0 {0.678702631774 0.522747643052 0.55597341168} H19 597 -1 14 {} Si 0.0 {0.569979701301 0.471190103696 0.621169611841} Si1 598 -1 8 {} O 0.0 {0.558318424612 0.485370780188 0.621057638072} O1 599 -1 14 {} Si 0.0 {0.549543267072 0.485756982429 0.60489582939} Si2 600 -1 8 {} O 0.0 {0.559014214101 0.496004621323 0.593075928573} O2 601 -1 14 {} Si 0.0 {0.56584410087 0.510500844122 0.601871501739} Si3 602 -1 7 {} N 0.0 {0.571092009577 0.523218521298 0.589501592614} N1 603 -1 14 {} Si 0.0 {0.58823646771 0.518480949371 0.583743343221} Si4 604 -1 14 {} Si 0.0 {0.572065122121 0.539350112129 0.598768576687} Si5 605 -1 7 {} N 0.0 {0.590604966946 0.523566352393 0.565941974552} N2 606 -1 7 {} N 0.0 {0.590340210582 0.500102200014 0.585191961037} N3 607 -1 7 {} N 0.0 {0.600997084801 0.526774168686 0.594274917014} N4 608 -1 7 {} N 0.0 {0.574738680585 0.5533745607 0.586873683488} N5 609 -1 7 {} N 0.0 {0.556077137701 0.541951931056 0.607976679756} N6 610 -1 7 {} N 0.0 {0.586074721569 0.538768807935 0.61093145533} N7 611 -1 8 {} O 0.0 {0.574391530747 0.466873080005 0.603878227903} O3 612 -1 6 {} C 0.0 {0.561771307719 0.456447964218 0.629347882994} C1 613 -1 8 {} O 0.0 {0.585183083347 0.475721873064 0.630475617823} O4 614 -1 7 {} N 0.0 {0.580520838784 0.505298446326 0.612045103888} N8 615 -1 8 {} O 0.0 {0.552954454617 0.517628877219 0.612902283448} O5 616 -1 1 {} H 0.0 {0.536517630093 0.491359073199 0.606654002863} H1 617 -1 1 {} H 0.0 {0.548431670199 0.472474543845 0.59974256619} H2 618 -1 1 {} H 0.0 {0.589931703636 0.514802553082 0.560001509} H3 619 -1 1 {} H 0.0 {0.600734885666 0.527055828321 0.565051229222} H4 620 -1 1 {} H 0.0 {0.59697476464 0.498343004415 0.593348478496} H5 621 -1 1 {} H 0.0 {0.595486615966 0.49687334598 0.576317642704} H6 622 -1 1 {} H 0.0 {0.599579718439 0.53725171422 0.593326735008} H7 623 -1 1 {} H 0.0 {0.610493464064 0.524535777138 0.58978364621} H8 624 -1 1 {} H 0.0 {0.572187855538 0.562369607343 0.591987977442} H9 625 -1 1 {} H 0.0 {0.567521770253 0.552181039763 0.579026048947} H10 626 -1 1 {} H 0.0 {0.548427423746 0.536876749575 0.602534563942} H11 627 -1 1 {} H 0.0 {0.55381370026 0.552451697756 0.607376236461} H12 628 -1 1 {} H 0.0 {0.582790630158 0.53294732095 0.619234699229} H13 629 -1 1 {} H 0.0 {0.587393389631 0.548810755131 0.614572064072} H14 630 -1 1 {} H 0.0 {0.56573728106 0.467124955918 0.597945085575} H15 631 -1 1 {} H 0.0 {0.56075108783 0.448384903382 0.622085526068} H16 632 -1 1 {} H 0.0 {0.551909556993 0.459345415698 0.632986795776} H17 633 -1 1 {} H 0.0 {0.567879926603 0.453061190209 0.637702987536} H18 634 -1 1 {} H 0.0 {0.588041233662 0.46768371324 0.636602417766} H19 635 -1 1 {} H 0.0 {0.589237264613 0.508918197637 0.607100755185} H20 636 -1 1 {} H 0.0 {0.580962709106 0.494560548342 0.611564817543} H21 637 -1 1 {} H 0.0 {0.548825182627 0.51000581323 0.618824555455} H22 638 -1 14 {} Si 0.0 {0.357609467668 0.308328081784 0.461177630648} Si1 639 -1 14 {} Si 0.0 {0.394133944257 0.297173834879 0.405270498923} Si4 640 -1 7 {} N 0.0 {0.379774134343 0.307821121987 0.410442347034} N2 641 -1 7 {} N 0.0 {0.410033485728 0.306367921746 0.408190317718} N4 642 -1 8 {} O 0.0 {0.375518088668 0.306090384961 0.457652723668} O3 643 -1 8 {} O 0.0 {0.354668267094 0.32541471199 0.467331800293} O4 644 -1 1 {} H 0.0 {0.382201057732 0.317903864285 0.407578123585} H4 645 -1 1 {} H 0.0 {0.407456511564 0.316240755717 0.411257925086} H7 646 -1 1 {} H 0.0 {0.41486244561 0.307298944852 0.398616107202} H8 647 -1 1 {} H 0.0 {0.380056738055 0.301116218796 0.465704241532} H15 648 -1 1 {} H 0.0 {0.355147091109 0.325471309422 0.477823257377} H19 649 -1 14 {} Si 0.0 {0.642725857695 0.438385172654 0.32328607509} Si1 650 -1 8 {} O 0.0 {0.633014323362 0.432480750107 0.308581410257} O1 651 -1 14 {} Si 0.0 {0.630111889636 0.445361461158 0.295785732973} Si2 652 -1 7 {} N 0.0 {0.630948528717 0.47722488659 0.28883693255} N5 653 -1 7 {} N 0.0 {0.648496142354 0.459648323595 0.306444522177} N6 654 -1 8 {} O 0.0 {0.654810112637 0.425311651241 0.327958448082} O3 655 -1 6 {} C 0.0 {0.631092727028 0.441299156823 0.337686172492} C1 656 -1 8 {} O 0.0 {0.651850276254 0.453822055356 0.319560055251} O4 657 -1 1 {} H 0.0 {0.634760169714 0.458053170442 0.300184192257} H1 658 -1 1 {} H 0.0 {0.616083876136 0.446198236582 0.293099631549} H2 659 -1 1 {} H 0.0 {0.626187151439 0.479197665638 0.298159953232} H9 660 -1 1 {} H 0.0 {0.626011463693 0.46864142706 0.28462950919} H10 661 -1 1 {} H 0.0 {0.639873074405 0.461786458725 0.312604553204} H12 662 -1 1 {} H 0.0 {0.651124053327 0.494438077667 0.300634165964} H14 663 -1 1 {} H 0.0 {0.633149586063 0.433999472826 0.345520804158} H16 664 -1 1 {} H 0.0 {0.620794961092 0.44020623103 0.334314672486} H17 665 -1 1 {} H 0.0 {0.632602374906 0.451349467167 0.341597066174} H18 666 -1 1 {} H 0.0 {0.655968631714 0.457669313118 0.32841206888} H19 667 -1 14 {} Si 0.0 {0.438191780789 0.403309806543 0.466525585773} Si1 668 -1 8 {} O 0.0 {0.427392964544 0.403650662944 0.481357325308} O1 669 -1 14 {} Si 0.0 {0.417309907521 0.418891202138 0.481002301303} Si2 670 -1 8 {} O 0.0 {0.40777000779 0.42002378706 0.465250467242} O2 671 -1 14 {} Si 0.0 {0.403820584469 0.437774187059 0.462146048802} Si3 672 -1 7 {} N 0.0 {0.394065313583 0.444500652998 0.476369836391} N1 673 -1 14 {} Si 0.0 {0.383669574151 0.458227802417 0.469596102117} Si4 674 -1 14 {} Si 0.0 {0.406038738478 0.452301478538 0.488176225632} Si5 675 -1 7 {} N 0.0 {0.389774450103 0.474395223873 0.47639856487} N2 676 -1 7 {} N 0.0 {0.366013953607 0.455542845037 0.474602292803} N3 677 -1 7 {} N 0.0 {0.384953597686 0.458472587741 0.451038677391} N4 678 -1 7 {} N 0.0 {0.398616594528 0.452926519655 0.505176179449} N5 679 -1 7 {} N 0.0 {0.421621567728 0.442370472237 0.488731736941} N6 680 -1 7 {} N 0.0 {0.409801750301 0.469518218703 0.482472081106} N7 681 -1 8 {} O 0.0 {0.45392067104 0.412089313467 0.47017462339} O3 682 -1 6 {} C 0.0 {0.429402051711 0.411867749116 0.452365095594} C1 683 -1 8 {} O 0.0 {0.441796049309 0.385883909728 0.461873415922} O4 684 -1 7 {} N 0.0 {0.393842994096 0.439661317001 0.446619011988} N8 685 -1 8 {} O 0.0 {0.41941637 0.44720373648 0.460450506368} O5 686 -1 1 {} H 0.0 {0.425982664645 0.430082742902 0.481989043625} H1 687 -1 1 {} H 0.0 {0.408288964106 0.418833320504 0.492016291645} H2 688 -1 1 {} H 0.0 {0.383869354999 0.476656779258 0.484951278981} H3 689 -1 1 {} H 0.0 {0.387515379767 0.4818914999 0.469027957341} H4 690 -1 1 {} H 0.0 {0.366013768695 0.448042650556 0.482182706833} H5 691 -1 1 {} H 0.0 {0.361024930545 0.451273701065 0.466085713678} H6 692 -1 1 {} H 0.0 {0.388262303422 0.468196954213 0.448220137669} H7 693 -1 1 {} H 0.0 {0.37494405166 0.457417631561 0.447235864733} H8 694 -1 1 {} H 0.0 {0.403601053333 0.460680099141 0.510491030405} H9 695 -1 1 {} H 0.0 {0.401275649665 0.44370033798 0.510024299987} H10 696 -1 1 {} H 0.0 {0.426753921633 0.445073666134 0.497616577273} H11 697 -1 1 {} H 0.0 {0.427695635085 0.445702295804 0.480563293169} H12 698 -1 1 {} H 0.0 {0.409530666732 0.469413772216 0.471810970546} H13 699 -1 1 {} H 0.0 {0.419974694908 0.471527369401 0.485284342196} H14 700 -1 1 {} H 0.0 {0.460202224588 0.41160433557 0.461781859686} H15 701 -1 1 {} H 0.0 {0.436042037959 0.412320319661 0.443744172576} H16 702 -1 1 {} H 0.0 {0.426645855134 0.421958016427 0.455371248364} H17 703 -1 1 {} H 0.0 {0.420415228778 0.406287680164 0.449784179526} H18 704 -1 1 {} H 0.0 {0.444352280353 0.385453253883 0.451691325184} H19 705 -1 1 {} H 0.0 {0.39804441818 0.447807145232 0.441155807555} H20 706 -1 1 {} H 0.0 {0.384034777272 0.442754946184 0.449647243885} H21 707 -1 1 {} H 0.0 {0.426562948128 0.443164597026 0.466898071532} H22 708 -1 14 {} Si 0.0 {0.474225546685 0.599131648767 0.506194654589} Si1 709 -1 8 {} O 0.0 {0.486477898185 0.587544465633 0.513592156238} O1 710 -1 14 {} Si 0.0 {0.479867384886 0.580537031835 0.529388398903} Si2 711 -1 8 {} O 0.0 {0.463100709654 0.572925873572 0.526624734174} O2 712 -1 14 {} Si 0.0 {0.464301542501 0.554449515828 0.524411864648} Si3 713 -1 7 {} N 0.0 {0.474869887437 0.55068107539 0.509237405423} N1 714 -1 14 {} Si 0.0 {0.471146482228 0.532965729809 0.502436255242} Si4 715 -1 14 {} Si 0.0 {0.492950194211 0.552323381176 0.515250653976} Si5 716 -1 7 {} N 0.0 {0.487306664285 0.52406057548 0.498289805059} N2 717 -1 7 {} N 0.0 {0.460924229475 0.533825456942 0.486725560819} N3 718 -1 7 {} N 0.0 {0.461823643348 0.52327520482 0.51553889463} N4 719 -1 7 {} N 0.0 {0.503710833375 0.539602361111 0.507094649683} N5 720 -1 7 {} N 0.0 {0.49919894931 0.569192686183 0.51061725598} N6 721 -1 7 {} N 0.0 {0.493954286383 0.550483658508 0.533849010823} N7 722 -1 8 {} O 0.0 {0.474089599254 0.597026272992 0.487915787516} O3 723 -1 6 {} C 0.0 {0.478868044721 0.616920233634 0.510307678122} C1 724 -1 8 {} O 0.0 {0.457563175202 0.59540302967 0.512929001784} O4 725 -1 7 {} N 0.0 {0.44716956208 0.547443921286 0.522523686407} N8 726 -1 8 {} O 0.0 {0.472224306903 0.547084767583 0.539291946517} O5 727 -1 1 {} H 0.0 {0.478825684111 0.590960388975 0.539114989773} H1 728 -1 1 {} H 0.0 {0.488798435086 0.570622625767 0.534145586963} H2 729 -1 1 {} H 0.0 {0.48723507222 0.522002435111 0.487842533569} H3 730 -1 1 {} H 0.0 {0.487171233303 0.514603849624 0.503278315988} H4 731 -1 1 {} H 0.0 {0.460564345071 0.543993796657 0.483526914294} H5 732 -1 1 {} H 0.0 {0.450874204521 0.531005657943 0.489370921797} H6 733 -1 1 {} H 0.0 {0.46857679882 0.521297027771 0.523534178959} H7 734 -1 1 {} H 0.0 {0.459352867838 0.513831663952 0.511260716795} H8 735 -1 1 {} H 0.0 {0.512998089783 0.539514031189 0.512327114655} H9 736 -1 1 {} H 0.0 {0.505824637289 0.543234470311 0.497184707434} H10 737 -1 1 {} H 0.0 {0.506627354987 0.567853762199 0.503094627368} H11 738 -1 1 {} H 0.0 {0.504261805179 0.573077124281 0.519269587425} H12 739 -1 1 {} H 0.0 {0.496399277061 0.559978512244 0.53784785674} H13 740 -1 1 {} H 0.0 {0.502379208844 0.544162310634 0.535938713939} H14 741 -1 1 {} H 0.0 {0.466427854758 0.60289209368 0.483789323748} H15 742 -1 1 {} H 0.0 {0.477884336857 0.623076444357 0.501365013316} H16 743 -1 1 {} H 0.0 {0.489172024901 0.61728394346 0.513840486674} H17 744 -1 1 {} H 0.0 {0.472226131228 0.620724170194 0.518058387625} H18 745 -1 1 {} H 0.0 {0.451746933868 0.60407655651 0.512827322776} H19 746 -1 1 {} H 0.0 {0.446293348385 0.543769991232 0.512665159514} H20 747 -1 1 {} H 0.0 {0.440345314427 0.555742430161 0.523333965525} H21 748 -1 1 {} H 0.0 {0.466373264658 0.539083545074 0.542756636258} H22 749 -1 14 {} Si 0.0 {0.463774629428 0.332424294731 0.392015298951} Si1 750 -1 8 {} O 0.0 {0.467826607664 0.34406063634 0.377282877335} O1 751 -1 14 {} Si 0.0 {0.47881888196 0.337495004965 0.362976082652} Si2 752 -1 8 {} O 0.0 {0.473518348691 0.321047512146 0.356797205085} O2 753 -1 14 {} Si 0.0 {0.457919951705 0.316950925701 0.364468536226} Si3 754 -1 7 {} N 0.0 {0.458116277909 0.323818548936 0.38145351904} N1 755 -1 14 {} Si 0.0 {0.452157263275 0.34158608858 0.380765158845} Si4 756 -1 14 {} Si 0.0 {0.47661921404 0.32437855802 0.388426466529} Si5 757 -1 7 {} N 0.0 {0.433639543732 0.342322180661 0.382347499802} N2 758 -1 7 {} N 0.0 {0.457213352285 0.349380471772 0.364531247972} N3 759 -1 7 {} N 0.0 {0.459916955299 0.350756576662 0.395106233832} N4 760 -1 7 {} N 0.0 {0.475962651357 0.319718759999 0.406454779818} N5 761 -1 7 {} N 0.0 {0.487790640816 0.312156990206 0.379765750482} N6 762 -1 7 {} N 0.0 {0.483113802926 0.342086017405 0.387138088343} N7 763 -1 8 {} O 0.0 {0.466059690744 0.31403310152 0.387604286071} O3 764 -1 6 {} C 0.0 {0.445811828256 0.334888264489 0.397049590292} C1 765 -1 8 {} O 0.0 {0.474572191472 0.336691243511 0.40625360949} O4 766 -1 7 {} N 0.0 {0.455757962659 0.298501346723 0.36509462071} N8 767 -1 8 {} O 0.0 {0.44413752238 0.32450508875 0.354887172545} O5 768 -1 1 {} H 0.0 {0.492424069426 0.336784048812 0.36688117003} H1 769 -1 1 {} H 0.0 {0.477871800084 0.346750368767 0.352114775105} H2 770 -1 1 {} H 0.0 {0.429607023283 0.341772868727 0.372512236668} H3 771 -1 1 {} H 0.0 {0.431274018118 0.352148279891 0.386078899479} H4 772 -1 1 {} H 0.0 {0.458906968723 0.341458718369 0.357609797056} H5 773 -1 1 {} H 0.0 {0.466737669164 0.354145840455 0.366124332003} H6 774 -1 1 {} H 0.0 {0.45281102637 0.357830722629 0.398634632175} H7 775 -1 1 {} H 0.0 {0.468180537226 0.356368816495 0.391181240129} H8 776 -1 1 {} H 0.0 {0.484273067497 0.313384217046 0.408399294587} H9 777 -1 1 {} H 0.0 {0.467145973187 0.31368521172 0.407766828985} H10 778 -1 1 {} H 0.0 {0.483366848171 0.302523655999 0.380865075594} H11 779 -1 1 {} H 0.0 {0.496990430502 0.311934809561 0.385330426465} H12 780 -1 1 {} H 0.0 {0.493225166976 0.342375820084 0.390833342486} H13 781 -1 1 {} H 0.0 {0.477414178235 0.347759372016 0.393999959211} H14 782 -1 1 {} H 0.0 {0.459543185394 0.308209293373 0.393412500703} H15 783 -1 1 {} H 0.0 {0.439328148559 0.330104169246 0.389708317499} H16 784 -1 1 {} H 0.0 {0.443554300438 0.345526574617 0.397526544537} H17 785 -1 1 {} H 0.0 {0.444134227073 0.330378351381 0.406809285018} H18 786 -1 1 {} H 0.0 {0.470015106353 0.333544867222 0.415129421919} H19 787 -1 1 {} H 0.0 {0.447903273757 0.296479015379 0.372009720243} H20 788 -1 1 {} H 0.0 {0.464747700773 0.294484968228 0.369411162126} H21 789 -1 1 {} H 0.0 {0.444934363481 0.321678213634 0.344804532935} H22 790 -1 14 {} Si 0.0 {0.304837583575 0.62387581172 0.438704852634} Si1 791 -1 8 {} O 0.0 {0.287459599047 0.617895189234 0.436590578939} O1 792 -1 14 {} Si 0.0 {0.2830960849 0.617689034378 0.418608818945} Si2 793 -1 8 {} O 0.0 {0.288700090232 0.601759391398 0.411015089529} O2 794 -1 14 {} Si 0.0 {0.285929606638 0.601710557984 0.392592743818} Si3 795 -1 7 {} N 0.0 {0.300725326375 0.623953788528 0.376283382962} N5 796 -1 8 {} O 0.0 {0.316405664185 0.609682563527 0.437133125302} O3 797 -1 6 {} C 0.0 {0.306975281195 0.631806702597 0.45566232165} C1 798 -1 8 {} O 0.0 {0.308664839351 0.636316223329 0.42579426755} O4 799 -1 7 {} N 0.0 {0.278795375784 0.585310471694 0.38742810422} N8 800 -1 8 {} O 0.0 {0.302006995228 0.604271988912 0.384028706003} O5 801 -1 1 {} H 0.0 {0.289522490205 0.628690075817 0.412168780365} H1 802 -1 1 {} H 0.0 {0.308337411887 0.624747728097 0.383696437663} H9 803 -1 1 {} H 0.0 {0.318801009703 0.606078411939 0.44669461875} H15 804 -1 1 {} H 0.0 {0.306436313584 0.624121520659 0.46337159271} H16 805 -1 1 {} H 0.0 {0.299083308073 0.639174347977 0.457274652947} H17 806 -1 1 {} H 0.0 {0.31667823577 0.636741313763 0.456155001116} H18 807 -1 1 {} H 0.0 {0.310074809365 0.645702976932 0.43032529187} H19 808 -1 1 {} H 0.0 {0.280270525011 0.584382510133 0.376923725409} H20 809 -1 1 {} H 0.0 {0.300451145726 0.604455337765 0.373651192096} H22 810 -1 14 {} Si 0.0 {0.712927983123 0.505570561092 0.463575782402} Si1 811 -1 8 {} O 0.0 {0.727855026824 0.51627503075 0.46530838871} O1 812 -1 7 {} N 0.0 {0.732127506482 0.513507668184 0.484913501461} N5 813 -1 8 {} O 0.0 {0.718127674039 0.488143069764 0.46095593526} O3 814 -1 6 {} C 0.0 {0.702579962768 0.511281989235 0.448915354249} C1 815 -1 8 {} O 0.0 {0.702843613921 0.506723108379 0.478916226736} O4 816 -1 8 {} O 0.0 {0.733221333202 0.483172011166 0.482654397641} O5 817 -1 1 {} H 0.0 {0.241947769056 0.496716753379 0.507133908602} H3 818 -1 1 {} H 0.0 {0.726761185389 0.518918653277 0.492369052315} H9 819 -1 1 {} H 0.0 {0.726207422022 0.50480536027 0.482608957089} H10 820 -1 1 {} H 0.0 {0.189260823625 0.489473060478 0.502498660033} H12 821 -1 1 {} H 0.0 {0.717660635059 0.485873011409 0.4507173018} H15 822 -1 1 {} H 0.0 {0.709027835581 0.51600338698 0.441514933046} H16 823 -1 1 {} H 0.0 {0.695095545749 0.518446120654 0.452320579574} H17 824 -1 1 {} H 0.0 {0.697586297342 0.502684519236 0.444428688918} H18 825 -1 1 {} H 0.0 {0.696622151713 0.515173980677 0.478368381902} H19 826 -1 1 {} H 0.0 {0.733149252446 0.473114012411 0.48567452266} H22 827 -1 7 {} N 0.0 {0.351434377657 0.622236235968 0.32711364787} N2 828 -1 7 {} N 0.0 {0.328069683433 0.602008723741 0.327402857122} N4 829 -1 1 {} H 0.0 {0.360483590535 0.621696115955 0.3216737952} H3 830 -1 1 {} H 0.0 {0.352827486676 0.616390655812 0.335880954724} H4 831 -1 1 {} H 0.0 {0.32972319574 0.604764695301 0.337609296862} H8 832 -1 7 {} N 0.0 {0.330476510192 0.691235160545 0.475288160007} N3 833 -1 1 {} H 0.0 {0.335151616922 0.684910109722 0.468121099541} H5 834 -1 1 {} H 0.0 {0.322003618334 0.685810517316 0.479059322092} H6 835 -1 1 {} H 0.0 {0.326344664494 0.690915652117 0.493233837549} H20 836 -1 14 {} Si 0.0 {0.557152318847 0.361677231672 0.30674061259} Si1 837 -1 8 {} O 0.0 {0.540824216954 0.355037154386 0.304525619603} O1 838 -1 8 {} O 0.0 {0.560872413545 0.374651069599 0.294256012699} O3 839 -1 8 {} O 0.0 {0.559644351112 0.367787419257 0.323869121819} O4 840 -1 1 {} H 0.0 {0.549797808926 0.335379519382 0.320537176934} H2 841 -1 1 {} H 0.0 {0.569755853506 0.366653979732 0.326507747932} H19 842 -1 14 {} Si 0.0 {0.44888318885 0.423202907429 0.264826507475} Si4 843 -1 7 {} N 0.0 {0.442734553985 0.437768491799 0.275147829563} N2 844 -1 7 {} N 0.0 {0.467298322229 0.422328322322 0.265907066328} N3 845 -1 7 {} N 0.0 {0.441812915381 0.406882036457 0.270941562317} N4 846 -1 8 {} O 0.0 {0.482541137876 0.44544905555 0.725224389846} O4 847 -1 1 {} H 0.0 {0.450979159555 0.441274168575 0.280904269368} H3 848 -1 1 {} H 0.0 {0.435469362755 0.433984136178 0.282204479919} H4 849 -1 1 {} H 0.0 {0.469578163014 0.41581478896 0.274167645553} H6 850 -1 1 {} H 0.0 {0.431228265871 0.407195839161 0.269487557695} H7 851 -1 1 {} H 0.0 {0.443476035664 0.40652671099 0.281603521738} H8 852 -1 1 {} H 0.0 {0.47865681433 0.438380617034 0.718501558798} H19 853 -1 1 {} H 0.0 {0.439804232011 0.455306218924 0.250518905577} H20 854 -1 14 {} Si 0.0 {0.571022490405 0.378551020489 0.537846753688} Si1 855 -1 8 {} O 0.0 {0.554322956432 0.379376291915 0.52825993623} O1 856 -1 14 {} Si 0.0 {0.541687593844 0.367157909178 0.533129292285} Si2 857 -1 8 {} O 0.0 {0.525021872771 0.370925209635 0.52497079299} O2 858 -1 14 {} Si 0.0 {0.527759445832 0.375589217035 0.507224822488} Si3 859 -1 7 {} N 0.0 {0.533178953869 0.392954522508 0.507188211255} N1 860 -1 14 {} Si 0.0 {0.550521021285 0.390594543519 0.511203584578} Si4 861 -1 14 {} Si 0.0 {0.524861572986 0.400286191967 0.522171698729} Si5 862 -1 7 {} N 0.0 {0.552979068622 0.395297276142 0.528669394571} N2 863 -1 7 {} N 0.0 {0.561653171727 0.400377402438 0.500217508952} N3 864 -1 7 {} N 0.0 {0.553399871916 0.372431213569 0.508796034103} N4 865 -1 7 {} N 0.0 {0.531814236744 0.392461507392 0.537548315321} N5 866 -1 7 {} N 0.0 {0.527514651232 0.418634556556 0.522801008459} N6 867 -1 7 {} N 0.0 {0.506677635267 0.396571632512 0.521370660325} N7 868 -1 8 {} O 0.0 {0.583615440195 0.372233239047 0.525624635219} O3 869 -1 6 {} C 0.0 {0.571919687833 0.366610167407 0.555772106478} C1 870 -1 8 {} O 0.0 {0.575531140139 0.395909300613 0.542244875555} O4 871 -1 7 {} N 0.0 {0.512318527165 0.373853558626 0.49690645547} N8 872 -1 8 {} O 0.0 {0.54131206516 0.364768710567 0.500731870271} O5 873 -1 1 {} H 0.0 {0.540650209515 0.367809510234 0.547312945109} H1 874 -1 1 {} H 0.0 {0.545872905161 0.353965436711 0.528937456033} H2 875 -1 1 {} H 0.0 {0.562436440009 0.391514678463 0.531670224692} H3 876 -1 1 {} H 0.0 {0.545520547771 0.389855916456 0.534102749711} H4 877 -1 1 {} H 0.0 {0.559466504921 0.397521530353 0.490212218975} H5 878 -1 1 {} H 0.0 {0.571684694811 0.396955146572 0.502293372045} H6 879 -1 1 {} H 0.0 {0.546770374743 0.367249796968 0.515341137644} H7 880 -1 1 {} H 0.0 {0.563196936454 0.370374280849 0.511997081789} H8 881 -1 1 {} H 0.0 {0.523849450449 0.387318818659 0.542391286815} H9 882 -1 1 {} H 0.0 {0.534717637009 0.400491597655 0.544081591284} H10 883 -1 1 {} H 0.0 {0.53771615381 0.420432180901 0.520378395487} H11 884 -1 1 {} H 0.0 {0.526249401187 0.421552232563 0.533096785034} H12 885 -1 1 {} H 0.0 {0.501729346383 0.403656490392 0.527567053022} H13 886 -1 1 {} H 0.0 {0.505307298746 0.386937680933 0.526028528011} H14 887 -1 1 {} H 0.0 {0.5828807765 0.361767153025 0.524860174628} H15 888 -1 1 {} H 0.0 {0.579801034245 0.359038798583 0.554740948831} H16 889 -1 1 {} H 0.0 {0.562643753029 0.361508817735 0.557411348722} H17 890 -1 1 {} H 0.0 {0.574152650269 0.372795570864 0.564515537493} H18 891 -1 1 {} H 0.0 {0.571965313601 0.402460468747 0.534812219735} H19 892 -1 1 {} H 0.0 {0.51121332428 0.382954496153 0.49133088411} H20 893 -1 1 {} H 0.0 {0.504066460714 0.373474525792 0.503709970726} H21 894 -1 1 {} H 0.0 {0.54225098597 0.3658630282 0.490555847554} H22 895 -1 14 {} Si 0.0 {0.551367413661 0.668722505659 0.509197188673} Si1 896 -1 8 {} O 0.0 {0.541939509529 0.674514785706 0.523991775762} O1 897 -1 14 {} Si 0.0 {0.552067182022 0.671455984363 0.538976752009} Si2 898 -1 8 {} O 0.0 {0.543971792076 0.678859357937 0.553846440375} O2 899 -1 14 {} Si 0.0 {0.55663603379 0.683010607302 0.56678483326} Si3 900 -1 7 {} N 0.0 {0.561212238862 0.667189257816 0.576729717011} N1 901 -1 14 {} Si 0.0 {0.561884989661 0.671337763583 0.595581373944} Si4 902 -1 14 {} Si 0.0 {0.578590852052 0.663303891916 0.57026545209} Si5 903 -1 7 {} N 0.0 {0.574194327188 0.685138867429 0.598185492854} N2 904 -1 7 {} N 0.0 {0.567284439577 0.656621780852 0.6061228643} N3 905 -1 7 {} N 0.0 {0.544467000118 0.677414626849 0.601402725264} N4 906 -1 7 {} N 0.0 {0.576817414885 0.653439588329 0.554369905248} N5 907 -1 7 {} N 0.0 {0.587705376605 0.679490450954 0.566951217718} N6 908 -1 7 {} N 0.0 {0.588267343567 0.653236925736 0.582561581241} N7 909 -1 8 {} O 0.0 {0.56180074214 0.654281533904 0.513913611767} O3 910 -1 6 {} C 0.0 {0.562387261543 0.682529417284 0.502762186708} C1 911 -1 8 {} O 0.0 {0.539591892574 0.663653911864 0.496021774423} O4 912 -1 7 {} N 0.0 {0.550085350035 0.697105092592 0.577138457121} N8 913 -1 8 {} O 0.0 {0.571899269917 0.688990925337 0.558704663531} O5 914 -1 1 {} H 0.0 {0.564769283434 0.677344088447 0.536991642863} H1 915 -1 1 {} H 0.0 {0.553565076238 0.657369149327 0.540899860725} H2 916 -1 1 {} H 0.0 {0.577039422016 0.684946136989 0.60845803504} H3 917 -1 1 {} H 0.0 {0.568893412684 0.694382385887 0.596652444935} H4 918 -1 1 {} H 0.0 {0.571845366041 0.649397613169 0.599817085023} H5 919 -1 1 {} H 0.0 {0.558345675963 0.652092654941 0.610090012695} H6 920 -1 1 {} H 0.0 {0.544990203038 0.688011967127 0.602909887432} H7 921 -1 1 {} H 0.0 {0.542499281695 0.673103548148 0.611194298907} H8 922 -1 1 {} H 0.0 {0.58304854608 0.657901961219 0.546998477949} H9 923 -1 1 {} H 0.0 {0.566673649185 0.65473702446 0.551031186793} H10 924 -1 1 {} H 0.0 {0.586214908288 0.682076132993 0.556727337708} H11 925 -1 1 {} H 0.0 {0.598171049175 0.677508155097 0.568145240303} H12 926 -1 1 {} H 0.0 {0.597548526382 0.658249842718 0.584163100103} H13 927 -1 1 {} H 0.0 {0.590588698257 0.643854953031 0.577804131952} H14 928 -1 1 {} H 0.0 {0.557088638148 0.64893450675 0.521648608968} H15 929 -1 1 {} H 0.0 {0.572284579282 0.68164887111 0.507192183618} H16 930 -1 1 {} H 0.0 {0.558071770777 0.692159251986 0.505407387813} H17 931 -1 1 {} H 0.0 {0.563199294941 0.68175911542 0.491920288054} H18 932 -1 1 {} H 0.0 {0.543636470296 0.666026871647 0.48663192464} H19 933 -1 1 {} H 0.0 {0.555720874997 0.697709239954 0.586144101188} H20 934 -1 1 {} H 0.0 {0.540067550769 0.694604426466 0.57971272649} H21 935 -1 1 {} H 0.0 {0.576661042884 0.695952615134 0.564994320185} H22 936 -1 14 {} Si 0.0 {0.332721957679 0.358068930822 0.38158402426} Si2 937 -1 8 {} O 0.0 {0.342794306005 0.342716499394 0.379171966288} O2 938 -1 14 {} Si 0.0 {0.360356652604 0.347687617886 0.377498774358} Si3 939 -1 7 {} N 0.0 {0.370285354847 0.334685153639 0.368312934467} N1 940 -1 14 {} Si 0.0 {0.38797319811 0.339942727485 0.368637734667} Si5 941 -1 7 {} N 0.0 {0.382592776989 0.319389315774 0.39124171487} N3 942 -1 7 {} N 0.0 {0.393605794435 0.341236949267 0.38649399232} N5 943 -1 7 {} N 0.0 {0.398345615962 0.327297293292 0.359819729843} N6 944 -1 7 {} N 0.0 {0.389849603446 0.356424742996 0.360195168294} N7 945 -1 7 {} N 0.0 {0.367629040998 0.350363911219 0.394467327398} N8 946 -1 8 {} O 0.0 {0.360809864899 0.363352205407 0.367875951559} O5 947 -1 1 {} H 0.0 {0.328888013854 0.359176115934 0.395314578526} H1 948 -1 1 {} H 0.0 {0.340502409957 0.36950089936 0.377931641939} H2 949 -1 1 {} H 0.0 {0.391429224054 0.323557600048 0.387000591407} H5 950 -1 1 {} H 0.0 {0.384933509971 0.309201984555 0.393690636934} H6 951 -1 1 {} H 0.0 {0.402039171747 0.334827775294 0.387647775357} H9 952 -1 1 {} H 0.0 {0.385736964549 0.337112933848 0.392546258317} H10 953 -1 1 {} H 0.0 {0.404211118281 0.322331702976 0.367198790721} H11 954 -1 1 {} H 0.0 {0.40522774068 0.33275087707 0.353599061423} H12 955 -1 1 {} H 0.0 {0.382401041281 0.356956668713 0.352597405778} H13 956 -1 1 {} H 0.0 {0.399353982149 0.356226535296 0.355149233267} H14 957 -1 1 {} H 0.0 {0.34531356166 0.370153969354 0.353825980985} H18 958 -1 1 {} H 0.0 {0.325159463262 0.385571372981 0.348484065041} H19 959 -1 1 {} H 0.0 {0.368051302461 0.340867527751 0.399268615043} H20 960 -1 1 {} H 0.0 {0.360513732877 0.356274916342 0.399989132463} H21 961 -1 1 {} H 0.0 {0.354585024538 0.370465110327 0.372439568762} H22 962 -1 14 {} Si 0.0 {0.586801501161 0.361092066148 0.657068638256} Si1 963 -1 8 {} O 0.0 {0.583074772875 0.355454007434 0.639956131225} O1 964 -1 14 {} Si 0.0 {0.567141129667 0.36274022165 0.634392624548} Si2 965 -1 8 {} O 0.0 {0.570308925699 0.379315809592 0.627059336108} O2 966 -1 14 {} Si 0.0 {0.588222421136 0.380718928357 0.622959193171} Si3 967 -1 7 {} N 0.0 {0.595122100315 0.397056629513 0.629091407908} N1 968 -1 14 {} Si 0.0 {0.58215172635 0.405777411684 0.639154345261} Si4 969 -1 14 {} Si 0.0 {0.598804150541 0.407852321632 0.614360802294} Si5 970 -1 7 {} N 0.0 {0.579653072625 0.396722866383 0.655206260797} N2 971 -1 7 {} N 0.0 {0.566104437847 0.406212564066 0.629651644329} N3 972 -1 7 {} N 0.0 {0.587908029757 0.423167374367 0.642603941049} N4 973 -1 7 {} N 0.0 {0.587170238013 0.403869831104 0.600400847351} N5 974 -1 7 {} N 0.0 {0.596606472089 0.425697533456 0.619122721333} N6 975 -1 7 {} N 0.0 {0.616416381929 0.404936440274 0.609039928023} N7 976 -1 6 {} C 0.0 {0.586838885482 0.379791150214 0.657751818936} C1 977 -1 7 {} N 0.0 {0.590392616394 0.379351769816 0.604572043039} N8 978 -1 8 {} O 0.0 {0.597345996912 0.366983700765 0.631117278019} O5 979 -1 1 {} H 0.0 {0.558315635241 0.364042619812 0.645566214631} H1 980 -1 1 {} H 0.0 {0.561187736352 0.354213715491 0.624571781336} H2 981 -1 1 {} H 0.0 {0.569137263662 0.396311668226 0.657018585725} H3 982 -1 1 {} H 0.0 {0.583884092578 0.402877130294 0.662961859441} H4 983 -1 1 {} H 0.0 {0.564491693805 0.396466724198 0.625723097188} H5 984 -1 1 {} H 0.0 {0.567637586973 0.412684385141 0.621200970614} H6 985 -1 1 {} H 0.0 {0.59505090803 0.422624654986 0.650489733741} H7 986 -1 1 {} H 0.0 {0.579454217254 0.428554670524 0.646491076667} H8 987 -1 1 {} H 0.0 {0.589774102719 0.410156539215 0.592248886111} H9 988 -1 1 {} H 0.0 {0.57739785939 0.406936489233 0.603565416858} H10 989 -1 1 {} H 0.0 {0.595170693744 0.43121966117 0.610116234868} H11 990 -1 1 {} H 0.0 {0.605964152776 0.42896834484 0.62326395492} H12 991 -1 1 {} H 0.0 {0.619981419115 0.413962355687 0.604699649827} H13 992 -1 1 {} H 0.0 {0.6161189796 0.397625938554 0.60115688341} H14 993 -1 1 {} H 0.0 {0.564668448257 0.358765719803 0.666127205974} H15 994 -1 1 {} H 0.0 {0.577266143262 0.383239815852 0.661635460682} H16 995 -1 1 {} H 0.0 {0.588424816358 0.383808418666 0.647737838214} H17 996 -1 1 {} H 0.0 {0.594854572101 0.383169870086 0.664317073307} H18 997 -1 1 {} H 0.0 {0.589568903412 0.389091105802 0.600556386289} H20 998 -1 1 {} H 0.0 {0.581950158458 0.373845154056 0.600923032946} H21 999 -1 1 {} H 0.0 {0.595263420166 0.357982051292 0.626163895861} H22 1000 -1 14 {} Si 0.0 {0.655503815263 0.377013106476 0.470162444305} Si1 1001 -1 8 {} O 0.0 {0.659031082356 0.361054503843 0.478574792601} O1 1002 -1 14 {} Si 0.0 {0.644143786858 0.356004180069 0.488102112087} Si2 1003 -1 8 {} O 0.0 {0.647306656142 0.340035925179 0.496643791012} O2 1004 -1 14 {} Si 0.0 {0.647734427986 0.343311619962 0.514642900511} Si3 1005 -1 7 {} N 0.0 {0.644362057425 0.361454665541 0.517213966443} N1 1006 -1 14 {} Si 0.0 {0.658534988984 0.368713254093 0.526681723842} Si4 1007 -1 14 {} Si 0.0 {0.629176055411 0.363291737426 0.527780999351} Si5 1008 -1 7 {} N 0.0 {0.655258285804 0.386792086464 0.52947242172} N2 1009 -1 7 {} N 0.0 {0.674190024813 0.366647391932 0.516891712249} N3 1010 -1 7 {} N 0.0 {0.660250273 0.360093443583 0.543070452373} N4 1011 -1 7 {} N 0.0 {0.617319002633 0.349332137811 0.524353387444} N5 1012 -1 7 {} N 0.0 {0.634080576004 0.363068901127 0.545663407822} N6 1013 -1 7 {} N 0.0 {0.621070715862 0.379618807196 0.523820288267} N7 1014 -1 8 {} O 0.0 {0.637257620885 0.37919560363 0.468747520563} O3 1015 -1 6 {} C 0.0 {0.663242210702 0.377036870141 0.453053124209} C1 1016 -1 8 {} O 0.0 {0.662596148252 0.3908223389 0.479898604217} O4 1017 -1 7 {} N 0.0 {0.664537674405 0.33898135388 0.521319050544} N8 1018 -1 8 {} O 0.0 {0.634922179636 0.333187802352 0.523103265648} O5 1019 -1 1 {} H 0.0 {0.633033023135 0.354587529658 0.479231693666} H1 1020 -1 1 {} H 0.0 {0.64117750839 0.366047301047 0.497859989217} H2 1021 -1 1 {} H 0.0 {0.664367490991 0.39119648917 0.532685182401} H3 1022 -1 1 {} H 0.0 {0.648434703051 0.387445940987 0.537768643904} H4 1023 -1 1 {} H 0.0 {0.671377773825 0.365305201549 0.506699531192} H5 1024 -1 1 {} H 0.0 {0.678621323662 0.35737917761 0.520087526182} H6 1025 -1 1 {} H 0.0 {0.656851102737 0.366862860022 0.550569911587} H7 1026 -1 1 {} H 0.0 {0.670791571976 0.358720969454 0.544743129259} H8 1027 -1 1 {} H 0.0 {0.608476558758 0.351233698011 0.529983100861} H9 1028 -1 1 {} H 0.0 {0.621708906445 0.340458874242 0.52851192759} H10 1029 -1 1 {} H 0.0 {0.643159655364 0.357604595351 0.546341280797} H11 1030 -1 1 {} H 0.0 {0.626662173749 0.357303418231 0.550811873811} H12 1031 -1 1 {} H 0.0 {0.611027435644 0.377619105047 0.520932776073} H13 1032 -1 1 {} H 0.0 {0.626053474219 0.383486704156 0.51509394201} H14 1033 -1 1 {} H 0.0 {0.63510340224 0.389174737126 0.466322173673} H15 1034 -1 1 {} H 0.0 {0.662435708741 0.38699990693 0.448719711811} H16 1035 -1 1 {} H 0.0 {0.658057663472 0.369922218048 0.446730762692} H17 1036 -1 1 {} H 0.0 {0.673747060317 0.374263543528 0.453815611862} H18 1037 -1 1 {} H 0.0 {0.666631367947 0.397926210411 0.473310514723} H19 1038 -1 1 {} H 0.0 {0.666757879087 0.345939313262 0.529060129408} H20 1039 -1 1 {} H 0.0 {0.67157847005 0.340854070813 0.513394584587} H21 1040 -1 1 {} H 0.0 {0.636286036275 0.323060292858 0.520638005428} H22 1041 -1 1 {} H 0.0 {0.437642462317 0.311090126115 0.626687795928} H17 1042 -1 1 {} H 0.0 {0.450709655059 0.304148834266 0.616824315535} H18 1043 -1 14 {} Si 0.0 {0.653273807448 0.471635065142 0.520014012606} Si1 1044 -1 8 {} O 0.0 {0.646416295937 0.469324288878 0.503062719046} O1 1045 -1 14 {} Si 0.0 {0.630388793854 0.478258635584 0.50180251757} Si2 1046 -1 8 {} O 0.0 {0.622054095084 0.474061686114 0.485877808157} O2 1047 -1 14 {} Si 0.0 {0.60870114396 0.461729263962 0.48895077964} Si3 1048 -1 7 {} N 0.0 {0.615582949757 0.444422439278 0.485801226819} N1 1049 -1 14 {} Si 0.0 {0.633145834403 0.446790956728 0.480107234276} Si4 1050 -1 14 {} Si 0.0 {0.604687130354 0.434536334242 0.471760976731} Si5 1051 -1 7 {} N 0.0 {0.644165002326 0.447873506718 0.495088664634} N2 1052 -1 7 {} N 0.0 {0.634559697676 0.462720134186 0.470477749592} N3 1053 -1 7 {} N 0.0 {0.638403758956 0.432396021038 0.469779590574} N4 1054 -1 7 {} N 0.0 {0.613924353863 0.433421632723 0.455384276811} N5 1055 -1 7 {} N 0.0 {0.60101548368 0.417024464083 0.478424290918} N6 1056 -1 7 {} N 0.0 {0.587958085802 0.44369194772 0.468882752824} N7 1057 -1 8 {} O 0.0 {0.663159243342 0.456952126434 0.524730891689} O3 1058 -1 6 {} C 0.0 {0.639239033908 0.473655159998 0.532256760059} C1 1059 -1 8 {} O 0.0 {0.663919758354 0.486627634038 0.520376003799} O4 1060 -1 7 {} N 0.0 {0.594090832497 0.465686432336 0.478347082503} N8 1061 -1 8 {} O 0.0 {0.603536808744 0.462859075517 0.506130046248} O5 1062 -1 1 {} H 0.0 {0.632763999604 0.492320160007 0.502344397826} H1 1063 -1 1 {} H 0.0 {0.622044421146 0.474453018628 0.512710524671} H2 1064 -1 1 {} H 0.0 {0.652759642378 0.453489229665 0.492303643101} H3 1065 -1 1 {} H 0.0 {0.647559908298 0.437876933291 0.497157176715} H4 1066 -1 1 {} H 0.0 {0.625135595552 0.46449283053 0.465823577072} H5 1067 -1 1 {} H 0.0 {0.641622424953 0.460947341964 0.462572256832} H6 1068 -1 1 {} H 0.0 {0.633809915845 0.423756269486 0.473916847916} H7 1069 -1 1 {} H 0.0 {0.648968791385 0.431245572813 0.47129151454} H8 1070 -1 1 {} H 0.0 {0.60663076375 0.432449607118 0.447693658666} H9 1071 -1 1 {} H 0.0 {0.619419257041 0.424237172759 0.45545036673} H10 1072 -1 1 {} H 0.0 {0.609662345835 0.413578035437 0.483697220264} H11 1073 -1 1 {} H 0.0 {0.59975978974 0.410538294413 0.469867977029} H12 1074 -1 1 {} H 0.0 {0.580797925124 0.436631546761 0.465141599388} H13 1075 -1 1 {} H 0.0 {0.589562963258 0.450794955879 0.460878490893} H14 1076 -1 1 {} H 0.0 {0.661207881048 0.45453961105 0.534750127251} H15 1077 -1 1 {} H 0.0 {0.63177469098 0.465943929984 0.530484701293} H16 1078 -1 1 {} H 0.0 {0.634703252437 0.483464922293 0.531016143267} H17 1079 -1 1 {} H 0.0 {0.643126930174 0.472699955965 0.542397713325} H18 1080 -1 1 {} H 0.0 {0.658037094097 0.495016981687 0.522684018319} H19 1081 -1 1 {} H 0.0 {0.593532324906 0.458449287133 0.470969812701} H20 1082 -1 1 {} H 0.0 {0.596301625345 0.475012557841 0.473432117053} H21 1083 -1 1 {} H 0.0 {0.596203789118 0.470342845671 0.507061419366} H22 1084 -1 8 {} O 0.0 {0.395437522107 0.413107201169 0.288833431882} O4 1085 -1 1 {} H 0.0 {0.400863231892 0.405150404357 0.293024369874} H19 1086 -1 14 {} Si 0.0 {0.457042311171 0.72292086184 0.52614418693} Si1 1087 -1 8 {} O 0.0 {0.443485632903 0.735273190132 0.526379988249} O1 1088 -1 14 {} Si 0.0 {0.429786908308 0.728677799833 0.536579200933} Si2 1089 -1 8 {} O 0.0 {0.43071953258 0.710323528026 0.536650027868} O2 1090 -1 14 {} Si 0.0 {0.417777457006 0.703809919013 0.525455077781} Si3 1091 -1 7 {} N 0.0 {0.402093272431 0.713251775445 0.528528827824} N1 1092 -1 14 {} Si 0.0 {0.394366778941 0.706160218304 0.543871206994} Si4 1093 -1 14 {} Si 0.0 {0.390561805973 0.709961341317 0.514306294289} Si5 1094 -1 7 {} N 0.0 {0.375854910496 0.70678940897 0.542418428221} N2 1095 -1 7 {} N 0.0 {0.399790298626 0.716101669182 0.558623827594} N3 1096 -1 7 {} N 0.0 {0.399839451629 0.688519380381 0.545975586845} N4 1097 -1 7 {} N 0.0 {0.381773169313 0.693810954349 0.516983889957} N5 1098 -1 7 {} N 0.0 {0.378101121747 0.723719225891 0.513255417596} N6 1099 -1 7 {} N 0.0 {0.400270330874 0.709211501198 0.49846299008} N7 1100 -1 8 {} O 0.0 {0.453745720313 0.710036433338 0.538855482508} O3 1101 -1 6 {} C 0.0 {0.473276447675 0.731466432477 0.530023500857} C1 1102 -1 8 {} O 0.0 {0.457927686494 0.715065701913 0.50951478967} O4 1103 -1 7 {} N 0.0 {0.415062211745 0.685733280866 0.52888056868} N8 1104 -1 8 {} O 0.0 {0.42308050043 0.706059856746 0.507981270613} O5 1105 -1 1 {} H 0.0 {0.417269933796 0.732799771733 0.531016319576} H1 1106 -1 1 {} H 0.0 {0.430948682306 0.733607151684 0.549945089214} H2 1107 -1 1 {} H 0.0 {0.372145885979 0.711332059525 0.551314204098} H3 1108 -1 1 {} H 0.0 {0.372413028221 0.696600081986 0.542527066786} H4 1109 -1 1 {} H 0.0 {0.409986030257 0.718793882566 0.557041389582} H5 1110 -1 1 {} H 0.0 {0.399664626993 0.709426317307 0.567058300723} H6 1111 -1 1 {} H 0.0 {0.392139419081 0.682326784532 0.5420004758} H7 1112 -1 1 {} H 0.0 {0.400136273228 0.68662485564 0.556564091708} H8 1113 -1 1 {} H 0.0 {0.376473836945 0.69158127966 0.508012016575} H9 1114 -1 1 {} H 0.0 {0.374348902825 0.695565772929 0.524564421231} H10 1115 -1 1 {} H 0.0 {0.369544495669 0.720666456823 0.518810373314} H11 1116 -1 1 {} H 0.0 {0.375026979987 0.724320355416 0.502968445299} H12 1117 -1 1 {} H 0.0 {0.396762962827 0.717121054815 0.492234463247} H13 1118 -1 1 {} H 0.0 {0.397512378339 0.700027145666 0.493586842323} H14 1119 -1 1 {} H 0.0 {0.451710837903 0.714668791666 0.548061181657} H15 1120 -1 1 {} H 0.0 {0.473305983701 0.73464432175 0.540437538658} H16 1121 -1 1 {} H 0.0 {0.474437508925 0.740115024031 0.523598464961} H17 1122 -1 1 {} H 0.0 {0.481458105657 0.724609977953 0.528331598748} H18 1123 -1 1 {} H 0.0 {0.467841898674 0.712311277306 0.507473765099} H19 1124 -1 1 {} H 0.0 {0.404593516861 0.683917497906 0.528175220924} H20 1125 -1 1 {} H 0.0 {0.417775379147 0.684097827449 0.539166156712} H21 1126 -1 1 {} H 0.0 {0.433578338923 0.70628500712 0.507526761887} H22 1127 -1 1 {} H 0.0 {0.325279058024 0.672545031702 0.580617065399} H17 1128 -1 1 {} H 0.0 {0.314468837621 0.66538879898 0.568417243639} H18 1129 -1 14 {} Si 0.0 {0.325525611641 0.452369055337 0.319588844551} Si1 1130 -1 8 {} O 0.0 {0.336433115025 0.438800932195 0.312515310121} O1 1131 -1 8 {} O 0.0 {0.33129902819 0.456692883888 0.336229232532} O3 1132 -1 8 {} O 0.0 {0.326708347019 0.467458610895 0.308547027335} O4 1133 -1 1 {} H 0.0 {0.323588277753 0.461495349491 0.341396996055} H15 1134 -1 1 {} H 0.0 {0.328026535893 0.476069306799 0.31425527044} H19 1135 -1 14 {} Si 0.0 {0.328444393695 0.596518217351 0.381149162636} Si1 1136 -1 8 {} O 0.0 {0.343376751359 0.603061022034 0.390157504121} O1 1137 -1 14 {} Si 0.0 {0.358199309002 0.602231919585 0.379143469069} Si2 1138 -1 8 {} O 0.0 {0.373375203122 0.595940011827 0.388720420752} O2 1139 -1 14 {} Si 0.0 {0.38794487963 0.607377406926 0.385549635582} Si3 1140 -1 7 {} N 0.0 {0.406129423467 0.598614961949 0.388175725993} N1 1141 -1 14 {} Si 0.0 {0.411702108091 0.594155290981 0.408012351121} Si4 1142 -1 14 {} Si 0.0 {0.419120273995 0.609464210504 0.376149844087} Si5 1143 -1 7 {} N 0.0 {0.427993924268 0.605948971919 0.414564599582} N2 1144 -1 7 {} N 0.0 {0.41649963918 0.576070855272 0.410243436892} N3 1145 -1 7 {} N 0.0 {0.396954028959 0.597078664375 0.419911350917} N4 1146 -1 7 {} N 0.0 {0.427778540305 0.597668749318 0.36393011971} N5 1147 -1 7 {} N 0.0 {0.408499142056 0.621590360222 0.36632530304} N6 1148 -1 7 {} N 0.0 {0.431529240095 0.622002937235 0.385085869077} N7 1149 -1 8 {} O 0.0 {0.313777891567 0.596724322562 0.392410880993} O3 1150 -1 6 {} C 0.0 {0.331692398883 0.57880304692 0.375441420281} C1 1151 -1 8 {} O 0.0 {0.32494839213 0.607081698446 0.366518639247} O4 1152 -1 7 {} N 0.0 {0.386325071884 0.622430422103 0.3963180276} N8 1153 -1 8 {} O 0.0 {0.386507868402 0.612694121482 0.368028051614} O5 1154 -1 1 {} H 0.0 {0.360958053127 0.615273222825 0.37401088931} H1 1155 -1 1 {} H 0.0 {0.355115908237 0.593487215207 0.368161017654} H2 1156 -1 1 {} H 0.0 {0.425198549423 0.61089470257 0.423417660684} H3 1157 -1 1 {} H 0.0 {0.429777614182 0.614461981828 0.407367969447} H4 1158 -1 1 {} H 0.0 {0.407561886449 0.570362623962 0.411325992944} H5 1159 -1 1 {} H 0.0 {0.421714776097 0.575269585807 0.419697632674} H6 1160 -1 1 {} H 0.0 {0.395374870846 0.607650455315 0.421058701454} H7 1161 -1 1 {} H 0.0 {0.399957209705 0.593356669764 0.429570662339} H8 1162 -1 1 {} H 0.0 {0.437778064143 0.595787976488 0.367430296627} H9 1163 -1 1 {} H 0.0 {0.428675785164 0.602932119615 0.354606687112} H10 1164 -1 1 {} H 0.0 {0.399231689975 0.616981261162 0.364156978259} H11 1165 -1 1 {} H 0.0 {0.413540356279 0.623292813752 0.356931505212} H12 1166 -1 1 {} H 0.0 {0.42943320743 0.622376242668 0.395588595543} H13 1167 -1 1 {} H 0.0 {0.441248764847 0.618260949043 0.383895906421} H14 1168 -1 1 {} H 0.0 {0.309254809167 0.587209440406 0.392443646069} H15 1169 -1 1 {} H 0.0 {0.3351704681 0.572820953478 0.383874167858} H16 1170 -1 1 {} H 0.0 {0.339312860866 0.578845341579 0.367639790621} H17 1171 -1 1 {} H 0.0 {0.322496196549 0.574500156536 0.371503950456} H18 1172 -1 1 {} H 0.0 {0.326491640992 0.601513044597 0.357761054444} H19 1173 -1 1 {} H 0.0 {0.385204524456 0.630836450378 0.389830492039} H20 1174 -1 1 {} H 0.0 {0.395703267605 0.623662109135 0.401350864207} H21 1175 -1 1 {} H 0.0 {0.37982647779 0.62075360104 0.367342170074} H22 1176 -1 14 {} Si 0.0 {0.47975566657 0.529881877658 0.515222255378} Si1 1177 -1 8 {} O 0.0 {0.475846011815 0.512023806602 0.511350666741} O1 1178 -1 14 {} Si 0.0 {0.47590482152 0.509245617456 0.492800583743} Si2 1179 -1 8 {} O 0.0 {0.492867619803 0.504425773328 0.487403979256} O2 1180 -1 14 {} Si 0.0 {0.504488493849 0.508805984116 0.500814714487} Si3 1181 -1 7 {} N 0.0 {0.521918462856 0.509935580824 0.494517080296} N1 1182 -1 14 {} Si 0.0 {0.521759506307 0.519184037693 0.478371301406} Si4 1183 -1 14 {} Si 0.0 {0.527667883715 0.492580694586 0.491239338385} Si5 1184 -1 7 {} N 0.0 {0.529393366966 0.50871643175 0.465068047949} N2 1185 -1 7 {} N 0.0 {0.531606950614 0.534834522806 0.48025129793} N3 1186 -1 7 {} N 0.0 {0.504267364421 0.523416042819 0.473715257838} N4 1187 -1 7 {} N 0.0 {0.540933280489 0.488020000251 0.503435914636} N5 1188 -1 7 {} N 0.0 {0.513416614779 0.480913907032 0.493020025948} N6 1189 -1 7 {} N 0.0 {0.534376580635 0.491370798417 0.474108248409} N7 1190 -1 8 {} O 0.0 {0.486654081217 0.53808951529 0.499711163906} O3 1191 -1 6 {} C 0.0 {0.491946599138 0.530994471862 0.529412707645} C1 1192 -1 8 {} O 0.0 {0.464148499585 0.538346863488 0.520120770905} O4 1193 -1 7 {} N 0.0 {0.503709445099 0.495974131248 0.514130262902} N8 1194 -1 8 {} O 0.0 {0.499491473141 0.524893790886 0.507818398371} O5 1195 -1 1 {} H 0.0 {0.47206281255 0.521300803295 0.486157268074} H1 1196 -1 1 {} H 0.0 {0.466722346578 0.49879872142 0.489364565891} H2 1197 -1 1 {} H 0.0 {0.539695443601 0.507534108759 0.467517265408} H3 1198 -1 1 {} H 0.0 {0.529058599792 0.514525948102 0.456025075393} H4 1199 -1 1 {} H 0.0 {0.540823696802 0.532214472841 0.484929017438} H5 1200 -1 1 {} H 0.0 {0.526270214087 0.541009075808 0.487259653493} H6 1201 -1 1 {} H 0.0 {0.501121467457 0.516293902698 0.466446112551} H7 1202 -1 1 {} H 0.0 {0.504633718202 0.532942142079 0.46870981235} H8 1203 -1 1 {} H 0.0 {0.549631359517 0.485482533437 0.497837724789} H9 1204 -1 1 {} H 0.0 {0.537677626415 0.478993261842 0.508301977595} H10 1205 -1 1 {} H 0.0 {0.517044145522 0.471132268717 0.49085994274} H11 1206 -1 1 {} H 0.0 {0.506410604482 0.483377855337 0.485238264935} H12 1207 -1 1 {} H 0.0 {0.526020591692 0.491199452391 0.467481612542} H13 1208 -1 1 {} H 0.0 {0.539099503889 0.481723618936 0.473377278948} H14 1209 -1 1 {} H 0.0 {0.490258638769 0.547490152976 0.501730094511} H15 1210 -1 1 {} H 0.0 {0.487840090827 0.537395393034 0.537196664375} H16 1211 -1 1 {} H 0.0 {0.501302554784 0.535146176773 0.525759878241} H17 1212 -1 1 {} H 0.0 {0.493704294048 0.52110896971 0.533499910722} H18 1213 -1 1 {} H 0.0 {0.460232042899 0.533776369017 0.528754574866} H19 1214 -1 1 {} H 0.0 {0.507926227547 0.487054557452 0.510187593592} H20 1215 -1 1 {} H 0.0 {0.493297921662 0.493964440925 0.515884969678} H21 1216 -1 1 {} H 0.0 {0.494751343265 0.523253506126 0.516886384299} H22 1217 -1 14 {} Si 0.0 {0.534241658803 0.447413818596 0.290925227298} Si1 1218 -1 8 {} O 0.0 {0.524142139321 0.435904131802 0.301108640795} O1 1219 -1 14 {} Si 0.0 {0.533562463095 0.420881376904 0.305580264716} Si2 1220 -1 8 {} O 0.0 {0.525707674938 0.41371970267 0.320488203873} O2 1221 -1 14 {} Si 0.0 {0.507676555724 0.41755424146 0.319829222024} Si3 1222 -1 7 {} N 0.0 {0.504942419999 0.435869537327 0.323233661425} N1 1223 -1 14 {} Si 0.0 {0.488014043218 0.440824100471 0.316808407349} Si4 1224 -1 14 {} Si 0.0 {0.517481001432 0.445203249697 0.313162700849} Si5 1225 -1 7 {} N 0.0 {0.480139292822 0.426533739948 0.307578855813} N2 1226 -1 7 {} N 0.0 {0.489741141393 0.455300626114 0.30562960625} N3 1227 -1 7 {} N 0.0 {0.477053008462 0.445751515837 0.331064479003} N4 1228 -1 7 {} N 0.0 {0.511663625145 0.44637645917 0.29539258329} N5 1229 -1 7 {} N 0.0 {0.519461340571 0.462259565698 0.319847712559} N6 1230 -1 7 {} N 0.0 {0.533821241003 0.43640772929 0.314128174314} N7 1231 -1 8 {} O 0.0 {0.528292438238 0.446720924806 0.273523445345} O3 1232 -1 6 {} C 0.0 {0.552362049006 0.442532443014 0.291633054347} C1 1233 -1 8 {} O 0.0 {0.532251287599 0.464559795248 0.297372842038} O4 1234 -1 7 {} N 0.0 {0.498727636885 0.407300570234 0.332567363451} N8 1235 -1 8 {} O 0.0 {0.501367931668 0.41343989143 0.303082785152} O5 1236 -1 1 {} H 0.0 {0.547164996016 0.424265584054 0.308360809798} H1 1237 -1 1 {} H 0.0 {0.532985402907 0.411461902353 0.29483969691} H2 1238 -1 1 {} H 0.0 {0.475362831773 0.430478026572 0.298966091885} H3 1239 -1 1 {} H 0.0 {0.472289974265 0.422693605551 0.313879896493} H4 1240 -1 1 {} H 0.0 {0.497767251609 0.461219588853 0.309407534223} H5 1241 -1 1 {} H 0.0 {0.480796987627 0.461175734032 0.30678448664} H6 1242 -1 1 {} H 0.0 {0.469287877971 0.451894470045 0.327080103732} H7 1243 -1 1 {} H 0.0 {0.482950424227 0.452055257151 0.337456002158} H8 1244 -1 1 {} H 0.0 {0.518501375472 0.441013332147 0.289242023872} H9 1245 -1 1 {} H 0.0 {0.512487291748 0.456718600909 0.292575515017} H10 1246 -1 1 {} H 0.0 {0.517956412979 0.468954631197 0.311718458122} H11 1247 -1 1 {} H 0.0 {0.529777392372 0.463244174905 0.322729555558} H12 1248 -1 1 {} H 0.0 {0.535059006791 0.43318043446 0.324226649372} H13 1249 -1 1 {} H 0.0 {0.541408184875 0.443796216941 0.312334776433} H14 1250 -1 1 {} H 0.0 {0.527687280528 0.436714179662 0.270441523177} H15 1251 -1 1 {} H 0.0 {0.554764484268 0.436244544338 0.283067373959} H16 1252 -1 1 {} H 0.0 {0.554296880921 0.437049126706 0.300827917489} H17 1253 -1 1 {} H 0.0 {0.558543589683 0.451517283966 0.291393650024} H18 1254 -1 1 {} H 0.0 {0.541582453664 0.46937104969 0.297468317121} H19 1255 -1 1 {} H 0.0 {0.492784803313 0.413926881147 0.338413319775} H20 1256 -1 1 {} H 0.0 {0.506246454906 0.403323569191 0.339155929282} H21 1257 -1 1 {} H 0.0 {0.502913490675 0.403226996708 0.30119390306} H22 1258 -1 14 {} Si 0.0 {0.432911729755 0.541190379257 0.658319881844} Si1 1259 -1 8 {} O 0.0 {0.445797250232 0.528043793765 0.660174241167} O1 1260 -1 14 {} Si 0.0 {0.447654204746 0.523367826729 0.677953193561} Si2 1261 -1 8 {} O 0.0 {0.46562910135 0.522189535351 0.682284487725} O2 1262 -1 14 {} Si 0.0 {0.475110842346 0.517418174687 0.667271574861} Si3 1263 -1 7 {} N 0.0 {0.492965252518 0.513968354788 0.671548191201} N1 1264 -1 14 {} Si 0.0 {0.494241796543 0.496233582871 0.677388712493} Si4 1265 -1 14 {} Si 0.0 {0.497239835011 0.524845245047 0.685901053857} Si5 1266 -1 7 {} N 0.0 {0.497285302196 0.484866124675 0.662800952352} N2 1267 -1 7 {} N 0.0 {0.478459150141 0.491430810258 0.685992503038} N3 1268 -1 7 {} N 0.0 {0.508448910511 0.494669608265 0.689266759291} N4 1269 -1 7 {} N 0.0 {0.500342737957 0.514345992129 0.700924662805} N5 1270 -1 7 {} N 0.0 {0.512483397472 0.534701880531 0.681917109623} N6 1271 -1 7 {} N 0.0 {0.483074394512 0.536392107624 0.689185355649} N7 1272 -1 8 {} O 0.0 {0.41781926209 0.534012080164 0.65061162617} O3 1273 -1 6 {} C 0.0 {0.439542063042 0.55498471005 0.64725377083} C1 1274 -1 8 {} O 0.0 {0.428679855594 0.548036860614 0.674822640443} O4 1275 -1 7 {} N 0.0 {0.474275464349 0.531419564848 0.654969559182} N8 1276 -1 8 {} O 0.0 {0.467662815369 0.502312641784 0.660097360296} O5 1277 -1 1 {} H 0.0 {0.441413565717 0.510690075775 0.680180712532} H1 1278 -1 1 {} H 0.0 {0.441393002129 0.533254405874 0.686151384667} H2 1279 -1 1 {} H 0.0 {0.490114472306 0.476960087474 0.663257235402} H3 1280 -1 1 {} H 0.0 {0.506911419189 0.480343018572 0.664370927068} H4 1281 -1 1 {} H 0.0 {0.471243636888 0.498958402731 0.68378646773} H5 1282 -1 1 {} H 0.0 {0.480401064487 0.492066062366 0.696567859496} H6 1283 -1 1 {} H 0.0 {0.517114712301 0.492324732674 0.683509106295} H7 1284 -1 1 {} H 0.0 {0.506422788362 0.486048043648 0.695379626363} H8 1285 -1 1 {} H 0.0 {0.492385702318 0.516189871202 0.707765408697} H9 1286 -1 1 {} H 0.0 {0.509293387059 0.518132902324 0.705537541262} H10 1287 -1 1 {} H 0.0 {0.519905876167 0.527829023878 0.678580366037} H11 1288 -1 1 {} H 0.0 {0.516037451315 0.538774135728 0.691218327028} H12 1289 -1 1 {} H 0.0 {0.487201358298 0.546067949172 0.690840671056} H13 1290 -1 1 {} H 0.0 {0.478682390319 0.533292058713 0.698486927185} H14 1291 -1 1 {} H 0.0 {0.415976749098 0.538789411978 0.641425273207} H15 1292 -1 1 {} H 0.0 {0.436805033514 0.552962797049 0.636875595082} H16 1293 -1 1 {} H 0.0 {0.450408884259 0.555457372327 0.648109861557} H17 1294 -1 1 {} H 0.0 {0.435248482422 0.564496579774 0.650338053985} H18 1295 -1 1 {} H 0.0 {0.433321508592 0.557362240618 0.676002371525} H19 1296 -1 1 {} H 0.0 {0.483883363346 0.536055226522 0.654801706867} H20 1297 -1 1 {} H 0.0 {0.467452538237 0.538681160371 0.659016984787} H21 1298 -1 1 {} H 0.0 {0.46365765734 0.504570487922 0.65080404197} H22 1299 -1 14 {} Si 0.0 {0.313487551391 0.662556534759 0.407367963921} Si3 1300 -1 7 {} N 0.0 {0.305649463606 0.647068644321 0.413838488893} N1 1301 -1 14 {} Si 0.0 {0.307919339811 0.634373394021 0.40040220098} Si4 1302 -1 7 {} N 0.0 {0.324783200542 0.627124533185 0.401772751433} N2 1303 -1 7 {} N 0.0 {0.306268710908 0.642729486201 0.383878022239} N3 1304 -1 7 {} N 0.0 {0.295509269443 0.620605840483 0.401977224384} N4 1305 -1 7 {} N 0.0 {0.323828812724 0.670446329447 0.420622484315} N8 1306 -1 8 {} O 0.0 {0.324110561585 0.658367922339 0.392930725362} O5 1307 -1 1 {} H 0.0 {0.323651145714 0.616606236508 0.400482379745} H3 1308 -1 1 {} H 0.0 {0.327995828803 0.628670930769 0.411940872639} H4 1309 -1 1 {} H 0.0 {0.313693687785 0.63834828713 0.377465531041} H6 1310 -1 1 {} H 0.0 {0.300734662967 0.612116872934 0.405787865888} H7 1311 -1 1 {} H 0.0 {0.29247174688 0.618048485587 0.39205678907} H8 1312 -1 1 {} H 0.0 {0.333708284729 0.671431731196 0.416745670255} H20 1313 -1 1 {} H 0.0 {0.324393214562 0.663386658801 0.428710369207} H21 1314 -1 1 {} H 0.0 {0.326751694766 0.648206065477 0.393373406525} H22 1315 -1 7 {} N 0.0 {0.410291410169 0.573262026656 0.706089224789} N2 1316 -1 1 {} H 0.0 {0.414413473847 0.581857134853 0.701392216853} H3 1317 -1 1 {} H 0.0 {0.403565364984 0.568826937831 0.698961653784} H4 1318 -1 1 {} H 0.0 {0.370729185829 0.561104352714 0.699747781236} H9 1319 -1 1 {} H 0.0 {0.386004005613 0.568698270391 0.701588532321} H10 1320 -1 1 {} H 0.0 {0.381898282432 0.539084649727 0.707241869452} H11 1321 -1 14 {} Si 0.0 {0.525759770021 0.465597378398 0.620997085369} Si1 1322 -1 8 {} O 0.0 {0.542068771106 0.45805120277 0.616967884628} O1 1323 -1 14 {} Si 0.0 {0.543718358975 0.441750358958 0.625232990655} Si2 1324 -1 8 {} O 0.0 {0.551586258466 0.429869937162 0.613508870958} O2 1325 -1 14 {} Si 0.0 {0.547204787773 0.412559339359 0.618063223666} Si3 1326 -1 7 {} N 0.0 {0.550175649483 0.409909752919 0.636242122088} N1 1327 -1 14 {} Si 0.0 {0.564686076431 0.420644376969 0.641478224016} Si4 1328 -1 14 {} Si 0.0 {0.554768321911 0.391879953053 0.638380615497} Si5 1329 -1 7 {} N 0.0 {0.575946481511 0.423908465439 0.626886412916} N2 1330 -1 7 {} N 0.0 {0.574097699487 0.412286510343 0.655064740836} N3 1331 -1 7 {} N 0.0 {0.558357859069 0.436832051143 0.647938009385} N4 1332 -1 7 {} N 0.0 {0.545445187012 0.384731489443 0.65276150098} N5 1333 -1 7 {} N 0.0 {0.550279126401 0.382566068412 0.622920359392} N6 1334 -1 7 {} N 0.0 {0.572967981927 0.390128528295 0.641395017799} N7 1335 -1 8 {} O 0.0 {0.525719661227 0.483095528879 0.615275180377} O3 1336 -1 6 {} C 0.0 {0.523087192905 0.465230009325 0.639603391512} C1 1337 -1 8 {} O 0.0 {0.51230588492 0.456209550015 0.612271757041} O4 1338 -1 7 {} N 0.0 {0.557612312769 0.400724775828 0.608088974759} N8 1339 -1 8 {} O 0.0 {0.529456024921 0.409393160953 0.614368622522} O5 1340 -1 1 {} H 0.0 {0.530812466937 0.436934033029 0.629053625545} H1 1341 -1 1 {} H 0.0 {0.551845433902 0.443194669507 0.636739340171} H2 1342 -1 1 {} H 0.0 {0.583298149646 0.416225545878 0.626679761053} H3 1343 -1 1 {} H 0.0 {0.581167675151 0.433080853688 0.628988716504} H4 1344 -1 1 {} H 0.0 {0.567221015733 0.410566126565 0.663031667867} H5 1345 -1 1 {} H 0.0 {0.58125174331 0.419441505313 0.658734710721} H6 1346 -1 1 {} H 0.0 {0.566777791384 0.442346390004 0.651437264712} H7 1347 -1 1 {} H 0.0 {0.552362533269 0.434587012961 0.656560002588} H8 1348 -1 1 {} H 0.0 {0.552602977158 0.380132616902 0.659181532998} H9 1349 -1 1 {} H 0.0 {0.539331011881 0.376801159932 0.648822129773} H10 1350 -1 1 {} H 0.0 {0.542849605651 0.388261156406 0.61783947889} H11 1351 -1 1 {} H 0.0 {0.545526236916 0.373453915123 0.626082047989} H12 1352 -1 1 {} H 0.0 {0.577885182396 0.391562571034 0.632054114595} H13 1353 -1 1 {} H 0.0 {0.574607587983 0.379858324575 0.644168081156} H14 1354 -1 1 {} H 0.0 {0.527296986315 0.48945263045 0.62347750939} H15 1355 -1 1 {} H 0.0 {0.512606977122 0.463220065463 0.641734098357} H16 1356 -1 1 {} H 0.0 {0.525859912256 0.474881863009 0.643847446851} H17 1357 -1 1 {} H 0.0 {0.529286244404 0.457417566589 0.644010454247} H18 1358 -1 1 {} H 0.0 {0.508604309514 0.448429895546 0.618385085229} H19 1359 -1 1 {} H 0.0 {0.567348739997 0.40066593106 0.612307427128} H20 1360 -1 1 {} H 0.0 {0.558569839614 0.404998697666 0.5982548343} H21 1361 -1 1 {} H 0.0 {0.528659280368 0.401134568115 0.607925553632} H22 1362 -1 14 {} Si 0.0 {0.569186303408 0.590199385669 0.279162010692} Si3 1363 -1 7 {} N 0.0 {0.564221892046 0.6059956592 0.287697039222} N1 1364 -1 14 {} Si 0.0 {0.550071047216 0.601819635035 0.298956194638} Si4 1365 -1 14 {} Si 0.0 {0.557624204813 0.617761507638 0.274871158901} Si5 1366 -1 7 {} N 0.0 {0.555451038147 0.5888098894 0.311083033586} N2 1367 -1 7 {} N 0.0 {0.535853750276 0.595374196591 0.288857117121} N3 1368 -1 7 {} N 0.0 {0.544757596312 0.617068471995 0.308145850472} N4 1369 -1 7 {} N 0.0 {0.549141696006 0.63193344292 0.283439633708} N6 1370 -1 7 {} N 0.0 {0.584839750942 0.583769811477 0.286838062131} N8 1371 -1 8 {} O 0.0 {0.555819391597 0.577725933284 0.281186746231} O5 1372 -1 1 {} H 0.0 {0.555680658573 0.579528777472 0.305856878288} H3 1373 -1 1 {} H 0.0 {0.547620679145 0.588002694085 0.318410376654} H4 1374 -1 1 {} H 0.0 {0.539971249148 0.590875178541 0.280116031425} H5 1375 -1 1 {} H 0.0 {0.530293552912 0.603953338093 0.285545098386} H6 1376 -1 1 {} H 0.0 {0.553478138229 0.621266605976 0.312599787064} H7 1377 -1 1 {} H 0.0 {0.538482592232 0.61376106175 0.316227746068} H8 1378 -1 1 {} H 0.0 {0.535675000715 0.6107739133 0.268135938463} H10 1379 -1 1 {} H 0.0 {0.542276510742 0.627742981379 0.290427705683} H11 1380 -1 1 {} H 0.0 {0.588919189623 0.591647176104 0.292745627065} H20 1381 -1 1 {} H 0.0 {0.591762544595 0.582093386957 0.278774180385} H21 1382 -1 1 {} H 0.0 {0.557379514908 0.572353483507 0.290060120889} H22 1383 -1 7 {} N 0.0 {0.456639098524 0.570309857501 0.716918835129} N3 1384 -1 8 {} O 0.0 {0.440426392299 0.550774870142 0.724484931971} O5 1385 -1 1 {} H 0.0 {0.436653927022 0.52026649553 0.730876977851} H2 1386 -1 1 {} H 0.0 {0.447207470641 0.566026914299 0.717546854235} H5 1387 -1 1 {} H 0.0 {0.463335855918 0.562479484132 0.713698159612} H6 1388 -1 1 {} H 0.0 {0.431266293586 0.54752016098 0.720454234314} H22 1389 -1 14 {} Si 0.0 {0.536083775894 0.456815194294 0.59684664425} Si1 1390 -1 8 {} O 0.0 {0.525788491845 0.461904734582 0.582366758606} O1 1391 -1 14 {} Si 0.0 {0.508656541368 0.455290978136 0.584625496389} Si2 1392 -1 8 {} O 0.0 {0.497324030424 0.468781601905 0.589726351237} O2 1393 -1 14 {} Si 0.0 {0.507025940206 0.482524895398 0.597054842778} Si3 1394 -1 7 {} N 0.0 {0.510279756663 0.479714556855 0.615511582815} N1 1395 -1 14 {} Si 0.0 {0.502400855643 0.463634186153 0.621565026447} Si4 1396 -1 14 {} Si 0.0 {0.502557724122 0.493807280142 0.624795013329} Si5 1397 -1 7 {} N 0.0 {0.495353795913 0.454148585732 0.607160528172} N2 1398 -1 7 {} N 0.0 {0.488802439682 0.466999577573 0.633696164025} N3 1399 -1 7 {} N 0.0 {0.515482613542 0.453199393275 0.630186746774} N4 1400 -1 7 {} N 0.0 {0.505462424835 0.509695725154 0.615582043642} N5 1401 -1 7 {} N 0.0 {0.48438258183 0.4908299961 0.626567132815} N6 1402 -1 7 {} N 0.0 {0.510285091796 0.494998083228 0.641630204037} N7 1403 -1 8 {} O 0.0 {0.553190123172 0.453003548306 0.591374388756} O3 1404 -1 6 {} C 0.0 {0.528308407194 0.441508151032 0.604952610561} C1 1405 -1 8 {} O 0.0 {0.536543221265 0.470698941638 0.608993821451} O4 1406 -1 7 {} N 0.0 {0.497638153959 0.498369729474 0.594591790327} N8 1407 -1 8 {} O 0.0 {0.523132048964 0.483822005294 0.588252357576} O5 1408 -1 1 {} H 0.0 {0.508764111152 0.445424879769 0.594957795078} H1 1409 -1 1 {} H 0.0 {0.504103409167 0.44945865419 0.572392082561} H2 1410 -1 1 {} H 0.0 {0.490530953202 0.461165192733 0.600821640221} H3 1411 -1 1 {} H 0.0 {0.487597750291 0.447864619234 0.611143053486} H4 1412 -1 1 {} H 0.0 {0.487069068613 0.457992854095 0.639077317778} H5 1413 -1 1 {} H 0.0 {0.480074466046 0.468726233292 0.628081081973} H6 1414 -1 1 {} H 0.0 {0.52216415231 0.449469386954 0.622746393478} H7 1415 -1 1 {} H 0.0 {0.510400451531 0.444646628207 0.63429102949} H8 1416 -1 1 {} H 0.0 {0.513944426403 0.51439671526 0.620001852167} H9 1417 -1 1 {} H 0.0 {0.497027480807 0.516044676226 0.617642818675} H10 1418 -1 1 {} H 0.0 {0.479351062203 0.498836797523 0.621701840972} H11 1419 -1 1 {} H 0.0 {0.482226136649 0.491760318257 0.636939514252} H12 1420 -1 1 {} H 0.0 {0.503017827624 0.491741733001 0.648649932201} H13 1421 -1 1 {} H 0.0 {0.511912152415 0.505449041674 0.643542151548} H14 1422 -1 1 {} H 0.0 {0.555297335042 0.458366736358 0.582617826398} H15 1423 -1 1 {} H 0.0 {0.534746073221 0.437998293523 0.612842938829} H16 1424 -1 1 {} H 0.0 {0.526934495348 0.433578717836 0.597628305036} H17 1425 -1 1 {} H 0.0 {0.518743881455 0.444077682565 0.609036255632} H18 1426 -1 1 {} H 0.0 {0.532780850522 0.479424028744 0.604511041839} H19 1427 -1 1 {} H 0.0 {0.496140336174 0.502723744489 0.604153191082} H20 1428 -1 1 {} H 0.0 {0.487918580891 0.495616101975 0.59088445115} H21 1429 -1 1 {} H 0.0 {0.521395497093 0.485759267324 0.578072332546} H22 1430 -1 14 {} Si 0.0 {0.563236260342 0.621468676962 0.426834517457} Si1 1431 -1 8 {} O 0.0 {0.557233748382 0.615940665612 0.443326267355} O1 1432 -1 14 {} Si 0.0 {0.539966257301 0.621678151429 0.445129245481} Si2 1433 -1 8 {} O 0.0 {0.535936854667 0.631918318354 0.430551398315} O2 1434 -1 14 {} Si 0.0 {0.52085462066 0.625534008385 0.422406353694} Si3 1435 -1 7 {} N 0.0 {0.512089284411 0.639956130369 0.4148509571} N1 1436 -1 14 {} Si 0.0 {0.525111312949 0.652915296608 0.412843003989} Si4 1437 -1 14 {} Si 0.0 {0.500320701744 0.646532632893 0.42755731889} Si5 1438 -1 7 {} N 0.0 {0.522075244034 0.662626219997 0.397305005788} N2 1439 -1 7 {} N 0.0 {0.541790958097 0.644720562171 0.411945151938} N3 1440 -1 7 {} N 0.0 {0.524541155841 0.664210902051 0.42761713492} N4 1441 -1 7 {} N 0.0 {0.509272689262 0.658436389707 0.438622077938} N5 1442 -1 7 {} N 0.0 {0.486321896805 0.655332388309 0.419121932754} N6 1443 -1 7 {} N 0.0 {0.493729481849 0.632580748875 0.437727643016} N7 1444 -1 8 {} O 0.0 {0.551777124115 0.615291021368 0.413839641203} O3 1445 -1 6 {} C 0.0 {0.580426633664 0.614713103006 0.423683208726} C1 1446 -1 8 {} O 0.0 {0.563659085436 0.639865574091 0.426310608146} O4 1447 -1 7 {} N 0.0 {0.510075397778 0.617228821149 0.435026301379} N8 1448 -1 8 {} O 0.0 {0.52546052325 0.61348948416 0.409252755417} O5 1449 -1 1 {} H 0.0 {0.53864957049 0.629502862105 0.457022352945} H1 1450 -1 1 {} H 0.0 {0.531129801997 0.610491246639 0.445718550899} H2 1451 -1 1 {} H 0.0 {0.531393806251 0.666912133661 0.394398044271} H3 1452 -1 1 {} H 0.0 {0.515648038579 0.670812460833 0.399996030471} H4 1453 -1 1 {} H 0.0 {0.540268805285 0.634864118502 0.408165283595} H5 1454 -1 1 {} H 0.0 {0.545228257916 0.643605760018 0.422083734642} H6 1455 -1 1 {} H 0.0 {0.522856456949 0.674084040009 0.42402585639} H7 1456 -1 1 {} H 0.0 {0.534391018609 0.664126463666 0.431965731155} H8 1457 -1 1 {} H 0.0 {0.504715765036 0.657833680245 0.448231354025} H9 1458 -1 1 {} H 0.0 {0.507191988565 0.668289123166 0.434856827536} H10 1459 -1 1 {} H 0.0 {0.490184651355 0.664517390634 0.415342478367} H11 1460 -1 1 {} H 0.0 {0.479243463603 0.65791263652 0.426790865643} H12 1461 -1 1 {} H 0.0 {0.484819583798 0.635911060894 0.442129381659} H13 1462 -1 1 {} H 0.0 {0.500705804024 0.63104722009 0.445746681483} H14 1463 -1 1 {} H 0.0 {0.553080810436 0.604941916776 0.412680784018} H15 1464 -1 1 {} H 0.0 {0.580619617029 0.604074088612 0.425968471014} H16 1465 -1 1 {} H 0.0 {0.587580375297 0.619909929397 0.429993213858} H17 1466 -1 1 {} H 0.0 {0.583038327752 0.616235872405 0.413214234668} H18 1467 -1 1 {} H 0.0 {0.568266590859 0.643513823338 0.435006252608} H19 1468 -1 1 {} H 0.0 {0.500153844197 0.620444729525 0.433289089722} H20 1469 -1 1 {} H 0.0 {0.512945915299 0.621172460208 0.444603489412} H21 1470 -1 1 {} H 0.0 {0.526425323914 0.603914698439 0.413458721339} H22 1471 -1 1 {} H 0.0 {0.597593016352 0.343105422142 0.639507927649} H7 1472 -1 14 {} Si 0.0 {0.485201344089 0.430702877716 0.28507468108} Si1 1473 -1 8 {} O 0.0 {0.48079644713 0.430216268339 0.267278993214} O1 1474 -1 14 {} Si 0.0 {0.495913555743 0.43261207491 0.257251608683} Si2 1475 -1 8 {} O 0.0 {0.509039764437 0.440037339093 0.267818167061} O2 1476 -1 14 {} Si 0.0 {0.503504950856 0.456591280459 0.273845450348} Si3 1477 -1 7 {} N 0.0 {0.518564855346 0.466967985712 0.278343969961} N1 1478 -1 14 {} Si 0.0 {0.514944137296 0.485092879983 0.276148361966} Si4 1479 -1 14 {} Si 0.0 {0.532839890847 0.462881304872 0.266985554124} Si5 1480 -1 7 {} N 0.0 {0.530675017796 0.493611565193 0.270938217842} N2 1481 -1 7 {} N 0.0 {0.509150982154 0.491881581418 0.292516521298} N3 1482 -1 7 {} N 0.0 {0.501703159823 0.487923999787 0.262983263773} N4 1483 -1 7 {} N 0.0 {0.526685323189 0.455172500763 0.251272705702} N5 1484 -1 7 {} N 0.0 {0.541999465095 0.478562427634 0.26302060802} N6 1485 -1 7 {} N 0.0 {0.544440543746 0.45112731545 0.275571080704} N7 1486 -1 8 {} O 0.0 {0.503377835093 0.432954976998 0.286766961149} O3 1487 -1 6 {} C 0.0 {0.48010407243 0.414466502168 0.293227423648} C1 1488 -1 8 {} O 0.0 {0.476398522815 0.444853905646 0.293075653141} O4 1489 -1 7 {} N 0.0 {0.493077361116 0.454589982989 0.288826412278} N8 1490 -1 8 {} O 0.0 {0.493193155536 0.464714384528 0.260917137371} O5 1491 -1 1 {} H 0.0 {0.535878711779 0.49640326268 0.27981387211} H3 1492 -1 1 {} H 0.0 {0.527783806356 0.50274769906 0.266044991906} H4 1493 -1 1 {} H 0.0 {0.515981440933 0.488437864427 0.299949119734} H5 1494 -1 1 {} H 0.0 {0.499718168782 0.487150977437 0.294636286948} H6 1495 -1 1 {} H 0.0 {0.505285514241 0.495469992008 0.256441181798} H7 1496 -1 1 {} H 0.0 {0.492941759855 0.491902145484 0.267899111918} H8 1497 -1 1 {} H 0.0 {0.521980902718 0.463022281387 0.245616444839} H10 1498 -1 1 {} H 0.0 {0.548297138285 0.476527523037 0.254691824412} H11 1499 -1 1 {} H 0.0 {0.548500581718 0.480526751009 0.271379341641} H12 1500 -1 1 {} H 0.0 {0.554157175689 0.455484075675 0.275249800697} H13 1501 -1 1 {} H 0.0 {0.544870490868 0.44223596605 0.269533358424} H14 1502 -1 1 {} H 0.0 {0.508022989444 0.423563168971 0.287361858262} H15 1503 -1 1 {} H 0.0 {0.481841106207 0.406233526113 0.286303679778} H16 1504 -1 1 {} H 0.0 {0.469533805715 0.414853558515 0.295826424334} H17 1505 -1 1 {} H 0.0 {0.485988820594 0.412892579353 0.30224439386} H18 1506 -1 1 {} H 0.0 {0.476777600298 0.443847498695 0.30351901084} H19 1507 -1 1 {} H 0.0 {0.495044382602 0.46304947714 0.29495406992} H20 1508 -1 1 {} H 0.0 {0.496744603403 0.445987223801 0.294094254581} H21 1509 -1 1 {} H 0.0 {0.484058051365 0.459568645116 0.260051987355} H22 1510 -1 1 {} H 0.0 {0.692927637008 0.639994378547 0.552535337927} H10 1511 -1 14 {} Si 0.0 {0.490634778693 0.74233823497 0.428881748628} Si1 1512 -1 8 {} O 0.0 {0.476094170829 0.752000541948 0.434672682306} O1 1513 -1 14 {} Si 0.0 {0.472884431211 0.748035236395 0.452315435562} Si2 1514 -1 8 {} O 0.0 {0.484535041765 0.735029198586 0.457790841528} O2 1515 -1 14 {} Si 0.0 {0.494991694042 0.741659921331 0.471295594279} Si3 1516 -1 7 {} N 0.0 {0.501626289609 0.727471738593 0.481325698601} N1 1517 -1 14 {} Si 0.0 {0.501782178657 0.732545019897 0.499147074877} Si4 1518 -1 14 {} Si 0.0 {0.51913169803 0.725538260554 0.47652441706} Si5 1519 -1 7 {} N 0.0 {0.491167174169 0.747511677815 0.501666741258} N2 1520 -1 7 {} N 0.0 {0.519212165545 0.736532407608 0.504298166468} N3 1521 -1 7 {} N 0.0 {0.495357704704 0.718489124534 0.509315286934} N4 1522 -1 7 {} N 0.0 {0.520168227987 0.717756142048 0.459561312412} N5 1523 -1 7 {} N 0.0 {0.526719311838 0.742519004051 0.476464576996} N6 1524 -1 7 {} N 0.0 {0.527845464368 0.714788131195 0.488873580035} N7 1525 -1 8 {} O 0.0 {0.485154680923 0.725701738671 0.423479766826} O3 1526 -1 6 {} C 0.0 {0.502941091784 0.74047077091 0.442926106658} C1 1527 -1 7 {} N 0.0 {0.484899892665 0.752831179274 0.482044167986} N8 1528 -1 8 {} O 0.0 {0.508978765314 0.75123044848 0.464066819735} O5 1529 -1 1 {} H 0.0 {0.459468292199 0.74333454467 0.453827736964} H1 1530 -1 1 {} H 0.0 {0.497642965129 0.755997194532 0.501663821378} H3 1531 -1 1 {} H 0.0 {0.487138559264 0.746770940485 0.511599021663} H4 1532 -1 1 {} H 0.0 {0.524855798858 0.727543278934 0.503618753646} H5 1533 -1 1 {} H 0.0 {0.518829410976 0.739131885212 0.514732979747} H6 1534 -1 1 {} H 0.0 {0.489063173435 0.722594059259 0.516713229882} H7 1535 -1 1 {} H 0.0 {0.503800562528 0.71424482406 0.514415906309} H8 1536 -1 1 {} H 0.0 {0.51868516587 0.707280713139 0.46079768712} H9 1537 -1 1 {} H 0.0 {0.530286377065 0.719032978527 0.456124372402} H10 1538 -1 1 {} H 0.0 {0.522915082502 0.747637484506 0.468056056727} H11 1539 -1 1 {} H 0.0 {0.53721777067 0.741351399132 0.474904580446} H12 1540 -1 1 {} H 0.0 {0.538007199435 0.714150832708 0.485852041039} H13 1541 -1 1 {} H 0.0 {0.523734669223 0.704958598728 0.48779633073} H14 1542 -1 1 {} H 0.0 {0.493486269938 0.720142428231 0.420340774753} H15 1543 -1 1 {} H 0.0 {0.505492504403 0.729941208115 0.444133404373} H16 1544 -1 1 {} H 0.0 {0.498506915505 0.744192945828 0.452126829532} H17 1545 -1 1 {} H 0.0 {0.511954325364 0.746158970072 0.440654994372} H18 1546 -1 1 {} H 0.0 {0.503406202133 0.744063623313 0.408624650425} H19 1547 -1 1 {} H 0.0 {0.491691839543 0.759207216336 0.487213077047} H20 1548 -1 1 {} H 0.0 {0.480256917623 0.746593838357 0.489452756106} H21 1549 -1 1 {} H 0.0 {0.50553300407 0.756966718214 0.455969155245} H22 1550 -1 14 {} Si 0.0 {0.355306540485 0.421313676303 0.504516139582} Si1 1551 -1 8 {} O 0.0 {0.356309229298 0.406518498462 0.515350123874} O1 1552 -1 14 {} Si 0.0 {0.35336708106 0.39149134385 0.505209641801} Si2 1553 -1 8 {} O 0.0 {0.357657087456 0.395044187059 0.487670884109} O2 1554 -1 14 {} Si 0.0 {0.347354513626 0.38450282869 0.476700871249} Si3 1555 -1 7 {} N 0.0 {0.349142293059 0.390306992378 0.458837435398} N1 1556 -1 14 {} Si 0.0 {0.360978532584 0.405413757796 0.458119632644} Si4 1557 -1 14 {} Si 0.0 {0.331869814929 0.394051606693 0.451706008952} Si5 1558 -1 7 {} N 0.0 {0.352995609479 0.421180813663 0.452596170977} N2 1559 -1 7 {} N 0.0 {0.374575510269 0.401650663223 0.446042673705} N3 1560 -1 7 {} N 0.0 {0.368383504974 0.408320505264 0.474836657012} N4 1561 -1 7 {} N 0.0 {0.321868919843 0.405241675799 0.463373148258} N5 1562 -1 7 {} N 0.0 {0.333791579802 0.402165106266 0.434945622026} N6 1563 -1 7 {} N 0.0 {0.322867589216 0.377738402617 0.449925778155} N7 1564 -1 8 {} O 0.0 {0.34131010035 0.419303820839 0.492746400994} O3 1565 -1 6 {} C 0.0 {0.371364404509 0.423105417594 0.49493853131} C1 1566 -1 8 {} O 0.0 {0.352590701259 0.436307997048 0.514806542379} O4 1567 -1 7 {} N 0.0 {0.329441909281 0.385126111002 0.482474701483} N8 1568 -1 8 {} O 0.0 {0.353274004595 0.367139452547 0.477858546842} O5 1569 -1 1 {} H 0.0 {0.3395837119 0.387790078493 0.506068705858} H1 1570 -1 1 {} H 0.0 {0.361500790406 0.380778361617 0.510058928393} H2 1571 -1 1 {} H 0.0 {0.357846636299 0.423900770106 0.443608397809} H3 1572 -1 1 {} H 0.0 {0.355812193454 0.428764417338 0.459741554244} H4 1573 -1 1 {} H 0.0 {0.373038816714 0.391734990357 0.442518058609} H5 1574 -1 1 {} H 0.0 {0.383704089036 0.401555420715 0.451618814945} H6 1575 -1 1 {} H 0.0 {0.364632250757 0.417702770781 0.478294678966} H7 1576 -1 1 {} H 0.0 {0.378951924848 0.409648432238 0.473317649721} H8 1577 -1 1 {} H 0.0 {0.312214695023 0.406527380837 0.459034890251} H9 1578 -1 1 {} H 0.0 {0.326499089183 0.41499722149 0.463489637311} H10 1579 -1 1 {} H 0.0 {0.329885595617 0.412043050849 0.435653003211} H11 1580 -1 1 {} H 0.0 {0.327526751067 0.396800363154 0.427974812189} H12 1581 -1 1 {} H 0.0 {0.32639410728 0.373006488621 0.441032876929} H13 1582 -1 1 {} H 0.0 {0.312453107942 0.380041498395 0.448323875835} H14 1583 -1 1 {} H 0.0 {0.336975609374 0.428668360086 0.490845059893} H15 1584 -1 1 {} H 0.0 {0.373821641436 0.413628589411 0.490165850549} H16 1585 -1 1 {} H 0.0 {0.37934556824 0.425886049038 0.501766331619} H17 1586 -1 1 {} H 0.0 {0.370230290362 0.430832356409 0.487334027582} H18 1587 -1 1 {} H 0.0 {0.36169122101 0.43925982669 0.519128028536} H19 1588 -1 1 {} H 0.0 {0.32355906328 0.380056479852 0.475240862724} H20 1589 -1 1 {} H 0.0 {0.326289404908 0.395483236737 0.482363766643} H21 1590 -1 1 {} H 0.0 {0.347930159488 0.362140110973 0.485385122473} H22 1591 -1 14 {} Si 0.0 {0.33855406044 0.614650465881 0.405232614421} Si1 1592 -1 8 {} O 0.0 {0.348223080273 0.599098256064 0.404783189782} O1 1593 -1 14 {} Si 0.0 {0.339232398939 0.586392022953 0.394612340757} Si2 1594 -1 8 {} O 0.0 {0.343003432658 0.569576201689 0.401455736603} O2 1595 -1 14 {} Si 0.0 {0.356035452721 0.560956083508 0.391475168876} Si3 1596 -1 7 {} N 0.0 {0.346946132309 0.549568826334 0.379389418622} N1 1597 -1 14 {} Si 0.0 {0.344805175059 0.532774747811 0.386698954538} Si4 1598 -1 14 {} Si 0.0 {0.355316086944 0.548909250772 0.36154967262} Si5 1599 -1 7 {} N 0.0 {0.356490873384 0.520834528403 0.378919385915} N2 1600 -1 7 {} N 0.0 {0.327285715978 0.527474397364 0.383681529646} N3 1601 -1 7 {} N 0.0 {0.347625378865 0.533399117374 0.405133445873} N4 1602 -1 7 {} N 0.0 {0.359123264662 0.566093581975 0.355648257766} N5 1603 -1 7 {} N 0.0 {0.371619073659 0.538762134108 0.361277433621} N6 1604 -1 7 {} N 0.0 {0.34347103471 0.541017770824 0.349669321318} N7 1605 -1 8 {} O 0.0 {0.323852064091 0.612273593272 0.416203566191} O3 1606 -1 6 {} C 0.0 {0.332915415199 0.618997725839 0.387714760491} C1 1607 -1 8 {} O 0.0 {0.349024770712 0.628266164832 0.411863603955} O4 1608 -1 7 {} N 0.0 {0.368130155093 0.55231719312 0.404226554091} N8 1609 -1 8 {} O 0.0 {0.365025187101 0.573313389159 0.381589519494} O5 1610 -1 1 {} H 0.0 {0.343551252897 0.587236533403 0.381024697522} H1 1611 -1 1 {} H 0.0 {0.325272740886 0.588642963586 0.395497292832} H2 1612 -1 1 {} H 0.0 {0.350950354353 0.512006081233 0.37691880864} H3 1613 -1 1 {} H 0.0 {0.363716376336 0.518268169639 0.386458580554} H4 1614 -1 1 {} H 0.0 {0.32216577518 0.535863037377 0.379452067224} H5 1615 -1 1 {} H 0.0 {0.322892722274 0.52582621695 0.393357411777} H6 1616 -1 1 {} H 0.0 {0.34810547018 0.52337686437 0.408612794211} H7 1617 -1 1 {} H 0.0 {0.338778431673 0.537752630354 0.409472474516} H8 1618 -1 1 {} H 0.0 {0.361463680732 0.565307653669 0.345310395981} H9 1619 -1 1 {} H 0.0 {0.36820046131 0.569120675569 0.360543990579} H10 1620 -1 1 {} H 0.0 {0.376218543685 0.53942768298 0.370979697167} H11 1621 -1 1 {} H 0.0 {0.378270159192 0.543787199241 0.354403780115} H12 1622 -1 1 {} H 0.0 {0.349314678278 0.536099515924 0.342223292731} H13 1623 -1 1 {} H 0.0 {0.338299883023 0.549011933269 0.34470803923} H14 1624 -1 1 {} H 0.0 {0.315985450537 0.618479684805 0.413028076726} H15 1625 -1 1 {} H 0.0 {0.323746202335 0.613592459015 0.385384875209} H16 1626 -1 1 {} H 0.0 {0.34067631882 0.616187101012 0.380599859397} H17 1627 -1 1 {} H 0.0 {0.331069307939 0.629718827235 0.387026423869} H18 1628 -1 1 {} H 0.0 {0.352942001229 0.633868410154 0.403884313411} H19 1629 -1 1 {} H 0.0 {0.372312639922 0.543210166575 0.400113030221} H20 1630 -1 1 {} H 0.0 {0.362220522798 0.549416914908 0.412743416898} H21 1631 -1 1 {} H 0.0 {0.360488451591 0.574095306854 0.372167973377} H22 1632 -1 1 {} H 0.0 {0.597410143528 0.289465140887 0.515327791989} H18 1633 -1 1 {} H 0.0 {0.597954173887 0.291767018789 0.540276471712} H19 1634 -1 1 {} H 0.0 {0.62083274734 0.306708278951 0.547863243348} H22 1635 -1 14 {} Si 0.0 {0.328023089598 0.57201904772 0.54191032721} Si1 1636 -1 8 {} O 0.0 {0.331690354131 0.554335800173 0.538218955701} O1 1637 -1 14 {} Si 0.0 {0.319014780982 0.543714003997 0.546297879125} Si2 1638 -1 8 {} O 0.0 {0.322150054532 0.526113821719 0.542083531323} O2 1639 -1 14 {} Si 0.0 {0.309469619056 0.520835517209 0.529998609981} Si3 1640 -1 7 {} N 0.0 {0.29627157454 0.533900049886 0.529238166576} N1 1641 -1 14 {} Si 0.0 {0.290068380173 0.53659611715 0.546609379165} Si4 1642 -1 14 {} Si 0.0 {0.282238405564 0.526953174832 0.519338272115} Si5 1643 -1 7 {} N 0.0 {0.304302932132 0.535610984998 0.558534598572} N2 1644 -1 7 {} N 0.0 {0.277570293499 0.523526093489 0.550850683985} N3 1645 -1 7 {} N 0.0 {0.282138556452 0.5533755408 0.547836679789} N4 1646 -1 7 {} N 0.0 {0.269876585025 0.519125940823 0.53078919389} N5 1647 -1 7 {} N 0.0 {0.274080196792 0.54064185877 0.509772122586} N6 1648 -1 7 {} N 0.0 {0.288796256589 0.514166144678 0.507558582779} N7 1649 -1 8 {} O 0.0 {0.336343312272 0.576956454686 0.5576088318} O3 1650 -1 6 {} C 0.0 {0.309456228283 0.574202373839 0.54371399493} C1 1651 -1 8 {} O 0.0 {0.334185419765 0.582542522453 0.528178306794} O4 1652 -1 7 {} N 0.0 {0.302026410805 0.504663050342 0.535335862465} N8 1653 -1 8 {} O 0.0 {0.317176254637 0.518877782263 0.513404637266} O5 1654 -1 1 {} H 0.0 {0.306037211057 0.5474492928 0.541606548317} H1 1655 -1 1 {} H 0.0 {0.319606792352 0.545470873595 0.560472921017} H2 1656 -1 1 {} H 0.0 {0.307195085983 0.525377555916 0.559166693883} H3 1657 -1 1 {} H 0.0 {0.300416815962 0.538298258919 0.568207014311} H4 1658 -1 1 {} H 0.0 {0.279879136554 0.514936685277 0.545000149832} H5 1659 -1 1 {} H 0.0 {0.26804504393 0.527131759278 0.547387259153} H6 1660 -1 1 {} H 0.0 {0.287690244747 0.559962177415 0.541568971246} H7 1661 -1 1 {} H 0.0 {0.283644529425 0.556768149072 0.55793983767} H8 1662 -1 1 {} H 0.0 {0.271872818609 0.508663212366 0.530915233141} H9 1663 -1 1 {} H 0.0 {0.260225887766 0.520350086836 0.526214069574} H10 1664 -1 1 {} H 0.0 {0.275100122239 0.549555457274 0.515526245126} H11 1665 -1 1 {} H 0.0 {0.263581664585 0.538371143911 0.509496493564} H12 1666 -1 1 {} H 0.0 {0.283742409829 0.515523214363 0.498286098686} H13 1667 -1 1 {} H 0.0 {0.285707485229 0.50459312271 0.51136945703} H14 1668 -1 1 {} H 0.0 {0.33473021155 0.587172774018 0.559354939078} H15 1669 -1 1 {} H 0.0 {0.307038213857 0.576228624129 0.554144470188} H16 1670 -1 1 {} H 0.0 {0.304409826893 0.565085485363 0.540528944348} H17 1671 -1 1 {} H 0.0 {0.306154451324 0.582531153007 0.537521957092} H18 1672 -1 1 {} H 0.0 {0.328273993585 0.580955547011 0.519669895491} H19 1673 -1 1 {} H 0.0 {0.295486984958 0.501479938728 0.527546393478} H20 1674 -1 1 {} H 0.0 {0.295829123998 0.506781438564 0.543861717535} H21 1675 -1 1 {} H 0.0 {0.318050469187 0.50866825291 0.511143023702} H22 1676 -1 8 {} O 0.0 {0.459438195935 0.332618342823 0.649565850171} O1 1677 -1 14 {} Si 0.0 {0.470630038007 0.318279479874 0.646790680504} Si2 1678 -1 6 {} C 0.0 {0.432801671239 0.341889312596 0.660609778864} C1 1679 -1 1 {} H 0.0 {0.483619498798 0.321365392118 0.651905744446} H1 1680 -1 1 {} H 0.0 {0.471540025233 0.315934293985 0.632812214765} H2 1681 -1 1 {} H 0.0 {0.437185034206 0.323271874433 0.64258238112} H4 1682 -1 1 {} H 0.0 {0.424427737997 0.338592898533 0.654475245328} H16 1683 -1 1 {} H 0.0 {0.437136385435 0.350902793312 0.656254859669} H17 1684 -1 1 {} H 0.0 {0.472613956499 0.303767255206 0.627388651886} H22 1685 -1 14 {} Si 0.0 {0.482037957308 0.458684662166 0.486617622353} Si1 1686 -1 8 {} O 0.0 {0.477353432231 0.466501031559 0.502642991817} O1 1687 -1 14 {} Si 0.0 {0.490297188168 0.478660273988 0.507427141894} Si2 1688 -1 8 {} O 0.0 {0.49268650387 0.478418656931 0.525765869678} O2 1689 -1 14 {} Si 0.0 {0.503760831124 0.492333027305 0.531092928787} Si3 1690 -1 7 {} N 0.0 {0.520694521618 0.49055617879 0.523181301644} N1 1691 -1 14 {} Si 0.0 {0.532644895617 0.485176847438 0.536297960039} Si4 1692 -1 14 {} Si 0.0 {0.526461311149 0.50746602781 0.51785321486} Si5 1693 -1 7 {} N 0.0 {0.529434703997 0.494695014855 0.551948305434} N2 1694 -1 7 {} N 0.0 {0.549922479203 0.488709333595 0.53041270588} N3 1695 -1 7 {} N 0.0 {0.530757996 0.466997891024 0.539502085616} N4 1696 -1 7 {} N 0.0 {0.535143427282 0.515733823001 0.531946184099} N5 1697 -1 7 {} N 0.0 {0.538176580833 0.50590757694 0.503524211919} N6 1698 -1 7 {} N 0.0 {0.512118655633 0.517826298444 0.512921399791} N7 1699 -1 8 {} O 0.0 {0.498862187307 0.464285359743 0.481705904617} O3 1700 -1 6 {} C 0.0 {0.469742929128 0.463642634801 0.473348980043} C1 1701 -1 8 {} O 0.0 {0.481953428621 0.440383864828 0.488445844459} O4 1702 -1 7 {} N 0.0 {0.50541873801 0.491996920217 0.54961578765} N8 1703 -1 8 {} O 0.0 {0.496320011433 0.50830278577 0.525914553045} O5 1704 -1 1 {} H 0.0 {0.486294763256 0.491748047238 0.503193936727} H1 1705 -1 1 {} H 0.0 {0.50249872762 0.475124888227 0.501088119504} H2 1706 -1 1 {} H 0.0 {0.535736265151 0.503299285408 0.551758683003} H3 1707 -1 1 {} H 0.0 {0.532904214459 0.488545928207 0.560061064138} H4 1708 -1 1 {} H 0.0 {0.550831172756 0.499300800659 0.529493564287} H5 1709 -1 1 {} H 0.0 {0.550654491711 0.484715710153 0.520446717656} H6 1710 -1 1 {} H 0.0 {0.522221453744 0.465767970296 0.545743344529} H7 1711 -1 1 {} H 0.0 {0.539285476372 0.464013112744 0.545347255659} H8 1712 -1 1 {} H 0.0 {0.531849098707 0.525824201134 0.532074017372} H9 1713 -1 1 {} H 0.0 {0.545580378035 0.51597064746 0.529423318378} H10 1714 -1 1 {} H 0.0 {0.547914641899 0.504414320837 0.507573672565} H11 1715 -1 1 {} H 0.0 {0.538342314769 0.515491388529 0.498623943485} H12 1716 -1 1 {} H 0.0 {0.515291477137 0.523870503643 0.504704958335} H13 1717 -1 1 {} H 0.0 {0.510267148054 0.524514422739 0.52108913314} H14 1718 -1 1 {} H 0.0 {0.499633846268 0.464233176709 0.471223275842} H15 1719 -1 1 {} H 0.0 {0.47299946822 0.472924163326 0.468638308212} H16 1720 -1 1 {} H 0.0 {0.459925655374 0.465095915852 0.477855814833} H17 1721 -1 1 {} H 0.0 {0.469183226518 0.455763706336 0.465846966544} H18 1722 -1 1 {} H 0.0 {0.47353721266 0.436432986168 0.483552956238} H19 1723 -1 1 {} H 0.0 {0.507506853883 0.501939905206 0.552798822465} H20 1724 -1 1 {} H 0.0 {0.51417160592 0.486158428386 0.551824814291} H21 1725 -1 1 {} H 0.0 {0.485881568156 0.507302856669 0.525426793013} H22 1726 -1 14 {} Si 0.0 {0.420132148954 0.595127139846 0.655970313427} Si1 1727 -1 8 {} O 0.0 {0.437125973001 0.595712973918 0.648865962495} O1 1728 -1 14 {} Si 0.0 {0.437206636182 0.588023978159 0.632105271583} Si2 1729 -1 8 {} O 0.0 {0.423188720741 0.594801188517 0.622080153662} O2 1730 -1 14 {} Si 0.0 {0.42707344418 0.611622801962 0.614749517832} Si3 1731 -1 7 {} N 0.0 {0.410966019554 0.621591175145 0.613816623894} N1 1732 -1 14 {} Si 0.0 {0.40301873856 0.618216003492 0.597141364865} Si4 1733 -1 14 {} Si 0.0 {0.415101437006 0.639743077219 0.613723357741} Si5 1734 -1 7 {} N 0.0 {0.390081796624 0.631184463412 0.593907191736} N2 1735 -1 7 {} N 0.0 {0.395080974418 0.601321479635 0.596760844187} N3 1736 -1 7 {} N 0.0 {0.415998838684 0.619099843537 0.583894809004} N4 1737 -1 7 {} N 0.0 {0.430123787728 0.642658136991 0.603201477383} N5 1738 -1 7 {} N 0.0 {0.400655425248 0.649031743814 0.606575048776} N6 1739 -1 7 {} N 0.0 {0.418273066266 0.645731565088 0.631054693687} N7 1740 -1 8 {} O 0.0 {0.412484903067 0.611830848479 0.654873470652} O3 1741 -1 6 {} C 0.0 {0.420870536671 0.589711500721 0.673962033211} C1 1742 -1 8 {} O 0.0 {0.409992580281 0.583111542838 0.646617950843} O4 1743 -1 7 {} N 0.0 {0.433849224442 0.609367509477 0.597563030225} N8 1744 -1 8 {} O 0.0 {0.439420576914 0.620541301712 0.625078409854} O5 1745 -1 1 {} H 0.0 {0.435686692693 0.573858197275 0.633393956524} H1 1746 -1 1 {} H 0.0 {0.449579502893 0.59089514935 0.625629478765} H2 1747 -1 1 {} H 0.0 {0.385101126614 0.633054034798 0.603151337582} H3 1748 -1 1 {} H 0.0 {0.3828084149 0.626737372066 0.587350917261} H4 1749 -1 1 {} H 0.0 {0.387164555272 0.601287592314 0.603901579456} H5 1750 -1 1 {} H 0.0 {0.402454729796 0.594328353196 0.600244394042} H6 1751 -1 1 {} H 0.0 {0.413444529836 0.627237187656 0.577520207438} H7 1752 -1 1 {} H 0.0 {0.414989493296 0.610153696282 0.577998414438} H8 1753 -1 1 {} H 0.0 {0.432991195672 0.6528256496 0.60455430406} H9 1754 -1 1 {} H 0.0 {0.426933725103 0.641713803971 0.592962126617} H10 1755 -1 1 {} H 0.0 {0.402621261801 0.650455896949 0.59620615762} H11 1756 -1 1 {} H 0.0 {0.400707029109 0.658785240722 0.611082078529} H12 1757 -1 1 {} H 0.0 {0.411192349498 0.653441257342 0.633067541235} H13 1758 -1 1 {} H 0.0 {0.427954412203 0.650417635064 0.630968429364} H14 1759 -1 1 {} H 0.0 {0.418228585964 0.617893079325 0.648532032348} H15 1760 -1 1 {} H 0.0 {0.429669728918 0.594004663456 0.678706286757} H16 1761 -1 1 {} H 0.0 {0.421414504672 0.578832705444 0.674451626726} H17 1762 -1 1 {} H 0.0 {0.411900034273 0.593122777459 0.679150438645} H18 1763 -1 1 {} H 0.0 {0.405965027186 0.57604909339 0.653289323714} H19 1764 -1 1 {} H 0.0 {0.433247026622 0.61880962894 0.592662294236} H20 1765 -1 1 {} H 0.0 {0.427046990929 0.602801065424 0.592401280202} H21 1766 -1 1 {} H 0.0 {0.448948246286 0.6195788111 0.620722033985} H22 1767 -1 14 {} Si 0.0 {0.519906113275 0.360871882689 0.341858615039} Si1 1768 -1 8 {} O 0.0 {0.514115099774 0.347602536821 0.35330990388} O1 1769 -1 14 {} Si 0.0 {0.50918769942 0.355473299872 0.369126619986} Si2 1770 -1 8 {} O 0.0 {0.492698117258 0.349293882489 0.374596426012} O2 1771 -1 14 {} Si 0.0 {0.493677804675 0.331740631757 0.380730766739} Si3 1772 -1 7 {} N 0.0 {0.48842714455 0.331475310328 0.398927158813} N1 1773 -1 14 {} Si 0.0 {0.48933222775 0.349106453634 0.405540628433} Si4 1774 -1 14 {} Si 0.0 {0.500745896395 0.321397542728 0.408458785124} Si5 1775 -1 7 {} N 0.0 {0.489083746886 0.361077129187 0.391379487158} N2 1776 -1 7 {} N 0.0 {0.505023351882 0.351471229917 0.415216354367} N3 1777 -1 7 {} N 0.0 {0.474724296008 0.352503698129 0.416576732421} N4 1778 -1 7 {} N 0.0 {0.499077503402 0.303537838474 0.40362740447} N5 1779 -1 7 {} N 0.0 {0.517970163237 0.327339348213 0.404787148682} N6 1780 -1 7 {} N 0.0 {0.497284621637 0.323247756349 0.426648399252} N7 1781 -1 8 {} O 0.0 {0.520341767602 0.376927891373 0.350877415613} O3 1782 -1 6 {} C 0.0 {0.508104299572 0.36225668979 0.327317320667} C1 1783 -1 8 {} O 0.0 {0.536778328494 0.356880702345 0.3357101809} O4 1784 -1 7 {} N 0.0 {0.510966735344 0.325275004011 0.378835663211} N8 1785 -1 8 {} O 0.0 {0.48199510643 0.321615638076 0.370622605875} O5 1786 -1 1 {} H 0.0 {0.508402477469 0.369582972675 0.367005160889} H1 1787 -1 1 {} H 0.0 {0.518943799485 0.352665147588 0.379182294181} H2 1788 -1 1 {} H 0.0 {0.49811498362 0.36663373973 0.391878854382} H3 1789 -1 1 {} H 0.0 {0.481103296725 0.368028618051 0.393358885116} H4 1790 -1 1 {} H 0.0 {0.51251218642 0.345482465647 0.410616421431} H5 1791 -1 1 {} H 0.0 {0.503298348427 0.347291977922 0.424971503132} H6 1792 -1 1 {} H 0.0 {0.46594137502 0.351237573975 0.410704147405} H7 1793 -1 1 {} H 0.0 {0.475181492447 0.362944768216 0.419162577519} H8 1794 -1 1 {} H 0.0 {0.493448063888 0.298711333804 0.411286736898} H9 1795 -1 1 {} H 0.0 {0.508948773554 0.299319541097 0.403961534095} H10 1796 -1 1 {} H 0.0 {0.521672521462 0.32151142859 0.396705184895} H11 1797 -1 1 {} H 0.0 {0.523969713342 0.324834718838 0.413345163783} H12 1798 -1 1 {} H 0.0 {0.505350430154 0.328777535242 0.430863135994} H13 1799 -1 1 {} H 0.0 {0.497767833084 0.313386102988 0.430907226709} H14 1800 -1 1 {} H 0.0 {0.510843575885 0.381407664545 0.350502484736} H15 1801 -1 1 {} H 0.0 {0.502612250482 0.371653539733 0.327982122783} H16 1802 -1 1 {} H 0.0 {0.501091058064 0.353926529879 0.327527825477} H17 1803 -1 1 {} H 0.0 {0.513768251919 0.362012333258 0.318009374359} H18 1804 -1 1 {} H 0.0 {0.539277599046 0.363446157087 0.327887661177} H19 1805 -1 1 {} H 0.0 {0.512151206238 0.317352041946 0.385829939018} H20 1806 -1 1 {} H 0.0 {0.517565697427 0.333164375715 0.381971987797} H21 1807 -1 1 {} H 0.0 {0.487458765969 0.31541284871 0.364117730656} H22 1808 -1 14 {} Si 0.0 {0.346579526764 0.59008043839 0.326426310196} Si1 1809 -1 8 {} O 0.0 {0.348396404804 0.603506154294 0.340141243485} O1 1810 -1 14 {} Si 0.0 {0.336665288026 0.618765784418 0.340463417499} Si2 1811 -1 14 {} Si 0.0 {0.338618424426 0.597710718442 0.315215976276} Si5 1812 -1 7 {} N 0.0 {0.344786207031 0.584371726368 0.303366344761} N5 1813 -1 7 {} N 0.0 {0.352516715744 0.610434255244 0.317959984914} N6 1814 -1 7 {} N 0.0 {0.332901383725 0.589564390546 0.332497258321} N7 1815 -1 8 {} O 0.0 {0.328550613607 0.587733723141 0.319922143486} O3 1816 -1 6 {} C 0.0 {0.352564486297 0.573850762772 0.333840585683} C1 1817 -1 8 {} O 0.0 {0.357385561835 0.594059674953 0.31214381723} O4 1818 -1 1 {} H 0.0 {0.341459481497 0.629099181997 0.332300072775} H1 1819 -1 1 {} H 0.0 {0.336589970713 0.623650284001 0.353908332405} H2 1820 -1 1 {} H 0.0 {0.354859798174 0.581991085211 0.305818731797} H9 1821 -1 1 {} H 0.0 {0.361948114622 0.605933774494 0.315533050595} H12 1822 -1 1 {} H 0.0 {0.338568105462 0.593802250229 0.340281225917} H13 1823 -1 1 {} H 0.0 {0.335610407105 0.579101923345 0.332105907633} H14 1824 -1 1 {} H 0.0 {0.32544124278 0.577845259223 0.321546298931} H15 1825 -1 1 {} H 0.0 {0.3487088533 0.565460555072 0.32811103847} H16 1826 -1 1 {} H 0.0 {0.349064169405 0.573108763102 0.344107930374} H17 1827 -1 1 {} H 0.0 {0.363490014829 0.57365797958 0.333661197568} H18 1828 -1 1 {} H 0.0 {0.367229300564 0.591005919305 0.314230650659} H19 1829 -1 14 {} Si 0.0 {0.472128908141 0.727402162932 0.373438737816} Si1 1830 -1 8 {} O 0.0 {0.455730414637 0.725822893609 0.382410180648} O1 1831 -1 6 {} C 0.0 {0.477196104421 0.711264399988 0.36754559233} C1 1832 -1 8 {} O 0.0 {0.485002558518 0.734643308085 0.384497645816} O4 1833 -1 1 {} H 0.0 {0.469183464962 0.707476845081 0.361016228062} H16 1834 -1 1 {} H 0.0 {0.478695900235 0.70451934629 0.375959622702} H17 1835 -1 1 {} H 0.0 {0.486537960023 0.712359965215 0.36190610588} H18 1836 -1 14 {} Si 0.0 {0.656976979058 0.36447156172 0.60489660533} Si1 1837 -1 7 {} N 0.0 {0.623963690063 0.327902735333 0.573608062027} N3 1838 -1 8 {} O 0.0 {0.642184015389 0.363744825566 0.615808945054} O3 1839 -1 6 {} C 0.0 {0.65153828148 0.366947248921 0.587067236027} C1 1840 -1 7 {} N 0.0 {0.64068360215 0.343885323642 0.565609011879} N8 1841 -1 8 {} O 0.0 {0.645161147712 0.347771751303 0.595300939066} O5 1842 -1 1 {} H 0.0 {0.629460970338 0.336956591754 0.573526595597} H5 1843 -1 1 {} H 0.0 {0.616322537508 0.32907473722 0.581080604752} H6 1844 -1 1 {} H 0.0 {0.642534911218 0.371665527132 0.622695772094} H15 1845 -1 1 {} H 0.0 {0.641673641295 0.371591364492 0.586894828864} H16 1846 -1 1 {} H 0.0 {0.651106580931 0.357327287202 0.582022282504} H17 1847 -1 1 {} H 0.0 {0.658672383428 0.373394332044 0.581959993078} H18 1848 -1 1 {} H 0.0 {0.640474402852 0.335290073432 0.559321651607} H20 1849 -1 1 {} H 0.0 {0.645601566494 0.351630854628 0.560044989209} H21 1850 -1 1 {} H 0.0 {0.639504888373 0.356214892014 0.592775458022} H22 1851 -1 1 {} H 0.0 {0.665014195685 0.524599136879 0.663936514746} H5 1852 -1 14 {} Si 0.0 {0.325279901607 0.547005368042 0.506086386078} Si1 1853 -1 8 {} O 0.0 {0.336023704254 0.559567569295 0.514082293963} O1 1854 -1 14 {} Si 0.0 {0.336838580463 0.574717925286 0.503542332311} Si2 1855 -1 8 {} O 0.0 {0.320123870866 0.579827304922 0.49837818001} O2 1856 -1 14 {} Si 0.0 {0.313471780027 0.57012844564 0.483955775491} Si3 1857 -1 7 {} N 0.0 {0.326442347632 0.56064559451 0.473754271233} N1 1858 -1 14 {} Si 0.0 {0.343948324041 0.56409049019 0.478620404015} Si4 1859 -1 14 {} Si 0.0 {0.325094385225 0.566583864639 0.456308633668} Si5 1860 -1 7 {} N 0.0 {0.347221567437 0.582310288676 0.47752736269} N2 1861 -1 7 {} N 0.0 {0.354935686229 0.555308211864 0.466466913823} N3 1862 -1 7 {} N 0.0 {0.347503747562 0.557524092121 0.495687584545} N4 1863 -1 7 {} N 0.0 {0.316768967473 0.583148130208 0.455866583824} N5 1864 -1 7 {} N 0.0 {0.342135675254 0.56801836807 0.448992048409} N6 1865 -1 7 {} N 0.0 {0.315360586695 0.554447714612 0.446634323681} N7 1866 -1 8 {} O 0.0 {0.312798328591 0.541046623401 0.518237191118} O3 1867 -1 6 {} C 0.0 {0.335810830867 0.532571018584 0.50006564351} C1 1868 -1 8 {} O 0.0 {0.316772178976 0.554572891577 0.491773654494} O4 1869 -1 7 {} N 0.0 {0.304755452034 0.581969426037 0.472657061396} N8 1870 -1 8 {} O 0.0 {0.301051590985 0.558047462505 0.490257391331} O5 1871 -1 1 {} H 0.0 {0.344776817094 0.572360335464 0.492021909349} H1 1872 -1 1 {} H 0.0 {0.342577209112 0.585269033188 0.511228087882} H2 1873 -1 1 {} H 0.0 {0.357616331687 0.583789885985 0.479429855121} H3 1874 -1 1 {} H 0.0 {0.341852345257 0.586906764992 0.485605522119} H4 1875 -1 1 {} H 0.0 {0.349305380072 0.553896738302 0.457552917678} H5 1876 -1 1 {} H 0.0 {0.356741020792 0.54553047474 0.470509355473} H6 1877 -1 1 {} H 0.0 {0.338225663824 0.55558790928 0.500219515541} H7 1878 -1 1 {} H 0.0 {0.352133940933 0.565493135629 0.501314732356} H8 1879 -1 1 {} H 0.0 {0.308730175728 0.582450652504 0.448922811631} H9 1880 -1 1 {} H 0.0 {0.323872246004 0.59004073635 0.451650611508} H10 1881 -1 1 {} H 0.0 {0.342314344584 0.576884543648 0.443099867087} H11 1882 -1 1 {} H 0.0 {0.343267974134 0.559774105634 0.442161396094} H12 1883 -1 1 {} H 0.0 {0.321302638802 0.545560707284 0.446054069413} H13 1884 -1 1 {} H 0.0 {0.314596652737 0.558360340535 0.4366507633} H14 1885 -1 1 {} H 0.0 {0.31715471794 0.540642875747 0.527787658386} H15 1886 -1 1 {} H 0.0 {0.333850459728 0.523787456455 0.506207199054} H16 1887 -1 1 {} H 0.0 {0.346371068545 0.535216145506 0.500763564864} H17 1888 -1 1 {} H 0.0 {0.33331994576 0.530364703282 0.489698015667} H18 1889 -1 1 {} H 0.0 {0.316660571071 0.547766178763 0.483801425686} H19 1890 -1 1 {} H 0.0 {0.302521501598 0.576694393004 0.463684094598} H20 1891 -1 1 {} H 0.0 {0.311907985311 0.589559636867 0.470063440403} H21 1892 -1 1 {} H 0.0 {0.294185563185 0.563005369786 0.496447449355} H22 1893 -1 7 {} N 0.0 {0.729358513301 0.450333769226 0.488081803427} N1 1894 -1 7 {} N 0.0 {0.717703898611 0.424422911123 0.477295619982} N2 1895 -1 7 {} N 0.0 {0.729408085763 0.474310781012 0.470145453871} N6 1896 -1 8 {} O 0.0 {0.718866021898 0.462902073907 0.513836882751} O5 1897 -1 1 {} H 0.0 {0.714938710917 0.416065264323 0.483283926935} H3 1898 -1 1 {} H 0.0 {0.720775183914 0.420488878394 0.467783618139} H4 1899 -1 1 {} H 0.0 {0.720995145138 0.475264343668 0.476663853007} H11 1900 -1 1 {} H 0.0 {0.725425111947 0.47204844944 0.460421437378} H12 1901 -1 1 {} H 0.0 {0.719850260967 0.472669137878 0.517490560266} H22 1902 -1 14 {} Si 0.0 {0.349646133274 0.616623486892 0.498052485883} Si1 1903 -1 8 {} O 0.0 {0.365923060831 0.618796901115 0.506858492086} O1 1904 -1 14 {} Si 0.0 {0.376382458316 0.632016416954 0.499265603508} Si2 1905 -1 8 {} O 0.0 {0.386284653219 0.62498949396 0.485330569793} O2 1906 -1 14 {} Si 0.0 {0.403729959169 0.631236172831 0.486241513622} Si3 1907 -1 7 {} N 0.0 {0.408876588581 0.638589359472 0.469782543412} N1 1908 -1 14 {} Si 0.0 {0.427332276148 0.640207675785 0.470033383262} Si4 1909 -1 14 {} Si 0.0 {0.402443117323 0.655953445195 0.469193064737} Si5 1910 -1 7 {} N 0.0 {0.435166867085 0.623366809781 0.471166430264} N2 1911 -1 7 {} N 0.0 {0.432207215075 0.65048535191 0.484654308501} N3 1912 -1 7 {} N 0.0 {0.432962104719 0.648863518674 0.454573547377} N4 1913 -1 7 {} N 0.0 {0.416839919817 0.667695614905 0.468119327827} N5 1914 -1 7 {} N 0.0 {0.391522749178 0.658110912327 0.454248789287} N6 1915 -1 7 {} N 0.0 {0.392762897516 0.659394981493 0.484665896947} N7 1916 -1 8 {} O 0.0 {0.348723919977 0.599555144772 0.491526787668} O3 1917 -1 6 {} C 0.0 {0.347683277351 0.628630322642 0.483742892182} C1 1918 -1 8 {} O 0.0 {0.335926308867 0.619309953855 0.509975310933} O4 1919 -1 7 {} N 0.0 {0.415096405549 0.617114026373 0.490467900388} N8 1920 -1 8 {} O 0.0 {0.404903766786 0.644198379373 0.49925001063} O5 1921 -1 1 {} H 0.0 {0.385239360591 0.637193241187 0.50920386485} H1 1922 -1 1 {} H 0.0 {0.368078371907 0.642541230099 0.494410440074} H2 1923 -1 1 {} H 0.0 {0.441946942887 0.623578854628 0.479381377854} H3 1924 -1 1 {} H 0.0 {0.441134191288 0.622128499694 0.46230031296} H4 1925 -1 1 {} H 0.0 {0.426293207614 0.647326565594 0.492829450836} H5 1926 -1 1 {} H 0.0 {0.429154416372 0.660556355819 0.482428005621} H6 1927 -1 1 {} H 0.0 {0.436233565825 0.641466838855 0.447825402242} H7 1928 -1 1 {} H 0.0 {0.441646391925 0.654611007832 0.457248687276} H8 1929 -1 1 {} H 0.0 {0.414142882304 0.676529289157 0.473421398499} H9 1930 -1 1 {} H 0.0 {0.417784139977 0.670487550488 0.457768203518} H10 1931 -1 1 {} H 0.0 {0.397910696478 0.65885256094 0.445749352534} H11 1932 -1 1 {} H 0.0 {0.386704145773 0.667658463268 0.455287810251} H12 1933 -1 1 {} H 0.0 {0.385067270978 0.666254197566 0.482131790039} H13 1934 -1 1 {} H 0.0 {0.399396772662 0.664565973262 0.491365565758} H14 1935 -1 1 {} H 0.0 {0.356119331016 0.598265417075 0.484194634992} H15 1936 -1 1 {} H 0.0 {0.353263770992 0.624973192456 0.47513508161} H16 1937 -1 1 {} H 0.0 {0.351351277097 0.638384607727 0.486649146694} H17 1938 -1 1 {} H 0.0 {0.337128372101 0.62938867188 0.481101699595} H18 1939 -1 1 {} H 0.0 {0.337961775784 0.627838577701 0.515762056225} H19 1940 -1 1 {} H 0.0 {0.420227792625 0.614402391943 0.481522660019} H20 1941 -1 1 {} H 0.0 {0.408821575531 0.608762222763 0.493042360898} H21 1942 -1 1 {} H 0.0 {0.400161477546 0.640832802685 0.507974668524} H22 1943 -1 8 {} O 0.0 {0.482679904263 0.263573623144 0.520475401354} O1 1944 -1 14 {} Si 0.0 {0.485607220781 0.281567611618 0.519764313847} Si2 1945 -1 8 {} O 0.0 {0.491361704309 0.285980604898 0.535889216179} O2 1946 -1 14 {} Si 0.0 {0.491285207479 0.271277829364 0.547425173067} Si3 1947 -1 7 {} N 0.0 {0.480234064584 0.264829576591 0.507720927475} N5 1948 -1 7 {} N 0.0 {0.480649241038 0.277287945798 0.56241514522} N8 1949 -1 1 {} H 0.0 {0.47384593876 0.288505196608 0.515919789502} H1 1950 -1 1 {} H 0.0 {0.495987800129 0.284259992401 0.510281416455} H2 1951 -1 1 {} H 0.0 {0.476033919932 0.273442141171 0.512053871628} H9 1952 -1 1 {} H 0.0 {0.473750031323 0.262158542016 0.499505251782} H10 1953 -1 1 {} H 0.0 {0.475662495569 0.275354513797 0.549065691962} H15 1954 -1 1 {} H 0.0 {0.486653714099 0.284108219485 0.567884965142} H20 1955 -1 1 {} H 0.0 {0.536567834621 0.418901206062 0.715613885775} H6 1956 -1 8 {} O 0.0 {0.427126810991 0.59711482615 0.277172605826} O1 1957 -1 14 {} Si 0.0 {0.444849083762 0.595460642371 0.282060557492} Si2 1958 -1 8 {} O 0.0 {0.453915022758 0.584680413087 0.269651335816} O2 1959 -1 14 {} Si 0.0 {0.447511020598 0.56730726923 0.270502904511} Si3 1960 -1 7 {} N 0.0 {0.461276317614 0.555731069029 0.276254764639} N1 1961 -1 14 {} Si 0.0 {0.466018604958 0.560610289767 0.293801470175} Si4 1962 -1 14 {} Si 0.0 {0.476707544481 0.557758228443 0.265593492362} Si5 1963 -1 7 {} N 0.0 {0.451177308533 0.56756548857 0.302902394579} N2 1964 -1 7 {} N 0.0 {0.479424411036 0.573436101402 0.293283975472} N3 1965 -1 7 {} N 0.0 {0.472200818015 0.545615599745 0.302873467796} N4 1966 -1 7 {} N 0.0 {0.473207421807 0.551937410949 0.248258360052} N5 1967 -1 7 {} N 0.0 {0.482671581639 0.575512328077 0.265426914412} N6 1968 -1 7 {} N 0.0 {0.490185430144 0.547161985457 0.272809850292} N7 1969 -1 7 {} N 0.0 {0.440727919075 0.562087051961 0.253930820553} N8 1970 -1 8 {} O 0.0 {0.433791987652 0.566548283864 0.282835463641} O5 1971 -1 1 {} H 0.0 {0.445402987406 0.589380859976 0.294861433003} H1 1972 -1 1 {} H 0.0 {0.450921193852 0.608404530808 0.282639183115} H2 1973 -1 1 {} H 0.0 {0.44840801712 0.560498399715 0.310414041294} H3 1974 -1 1 {} H 0.0 {0.443016998911 0.567943755221 0.295874729545} H4 1975 -1 1 {} H 0.0 {0.484253673254 0.572576704424 0.283846756622} H5 1976 -1 1 {} H 0.0 {0.486674357952 0.570611046259 0.300710957243} H6 1977 -1 1 {} H 0.0 {0.466424143497 0.544719959363 0.311790697722} H7 1978 -1 1 {} H 0.0 {0.482264666813 0.547812894418 0.305956510574} H8 1979 -1 1 {} H 0.0 {0.482541538757 0.551495567391 0.243130166603} H9 1980 -1 1 {} H 0.0 {0.47669923152 0.580933446547 0.25852477184} H11 1981 -1 1 {} H 0.0 {0.492629126613 0.575346712974 0.261363871806} H12 1982 -1 1 {} H 0.0 {0.498671260256 0.553432758037 0.274319495407} H13 1983 -1 1 {} H 0.0 {0.492934232923 0.540061849475 0.265219472602} H14 1984 -1 1 {} H 0.0 {0.432193215685 0.555807790495 0.255925918389} H21 1985 -1 1 {} H 0.0 {0.424923745059 0.563636114946 0.278029032413} H22 1986 -1 14 {} Si 0.0 {0.517669463965 0.291284362436 0.522156057265} Si1 1987 -1 8 {} O 0.0 {0.530160446754 0.2915611557 0.535729119261} O1 1988 -1 14 {} Si 0.0 {0.524876840989 0.303219057168 0.54901774232} Si2 1989 -1 8 {} O 0.0 {0.533824004561 0.299084395039 0.564675451259} O2 1990 -1 14 {} Si 0.0 {0.521969125564 0.293363213542 0.577611327423} Si3 1991 -1 7 {} N 0.0 {0.506279573923 0.303173511621 0.576635166536} N1 1992 -1 14 {} Si 0.0 {0.51005307764 0.321103717444 0.579540524177} Si4 1993 -1 14 {} Si 0.0 {0.495645282231 0.297560074724 0.590562627527} Si5 1994 -1 7 {} N 0.0 {0.498995362299 0.331431245252 0.568713544594} N2 1995 -1 7 {} N 0.0 {0.527798806592 0.324490458568 0.575404092356} N3 1996 -1 7 {} N 0.0 {0.506849782365 0.325343260351 0.597371917347} N4 1997 -1 7 {} N 0.0 {0.497013560829 0.309536920741 0.604672555602} N5 1998 -1 7 {} N 0.0 {0.478114848067 0.297099417648 0.584374774551} N6 1999 -1 8 {} O 0.0 {0.51410112436 0.273858512537 0.517504515526} O3 2000 -1 6 {} C 0.0 {0.524409391393 0.300466660115 0.507190979968} C1 2001 -1 8 {} O 0.0 {0.502171889255 0.299339810106 0.527775644298} O4 2002 -1 7 {} N 0.0 {0.529543678748 0.29549885024 0.594458599305} N8 2003 -1 1 {} H 0.0 {0.510819485722 0.30215933236 0.551012459049} H1 2004 -1 1 {} H 0.0 {0.528066639649 0.316591009564 0.54515020496} H2 2005 -1 1 {} H 0.0 {0.498483224034 0.341138160793 0.573058220812} H3 2006 -1 1 {} H 0.0 {0.489107036249 0.327206021202 0.569485673863} H4 2007 -1 1 {} H 0.0 {0.532379328095 0.315109140286 0.573318188177} H5 2008 -1 1 {} H 0.0 {0.532383607623 0.328206221573 0.58438794733} H6 2009 -1 1 {} H 0.0 {0.509731253148 0.335503745477 0.598775431366} H7 2010 -1 1 {} H 0.0 {0.513622293925 0.319396999855 0.603234639914} H8 2011 -1 1 {} H 0.0 {0.491703532664 0.305308128377 0.612834700713} H9 2012 -1 1 {} H 0.0 {0.491647782572 0.318387864623 0.601777994911} H10 2013 -1 1 {} H 0.0 {0.478249093746 0.301686816122 0.57486010535} H11 2014 -1 1 {} H 0.0 {0.472404355063 0.30359261431 0.590505562678} H12 2015 -1 1 {} H 0.0 {0.510626402882 0.27353879181 0.507612800268} H15 2016 -1 1 {} H 0.0 {0.523332163044 0.294234776553 0.498313095811} H16 2017 -1 1 {} H 0.0 {0.534942308551 0.302731293363 0.508772969832} H17 2018 -1 1 {} H 0.0 {0.51885208728 0.30975079051 0.505805441484} H18 2019 -1 1 {} H 0.0 {0.495120923748 0.299051224996 0.51998783328} H19 2020 -1 1 {} H 0.0 {0.522839735705 0.301760095325 0.600081889222} H21 2021 -1 14 {} Si 0.0 {0.533889350939 0.409034206328 0.700668394195} Si1 2022 -1 8 {} O 0.0 {0.544266696089 0.424222129613 0.70144547947} O1 2023 -1 14 {} Si 0.0 {0.56188004059 0.419784722556 0.698474497175} Si2 2024 -1 8 {} O 0.0 {0.572600477888 0.434075918148 0.702862754377} O2 2025 -1 8 {} O 0.0 {0.53084871493 0.404595286391 0.6830875125} O3 2026 -1 6 {} C 0.0 {0.517454336638 0.41221742127 0.709252545087} C1 2027 -1 8 {} O 0.0 {0.549182991089 0.444699114253 0.71832192852} O5 2028 -1 1 {} H 0.0 {0.563707692533 0.416498268252 0.68468460366} H1 2029 -1 1 {} H 0.0 {0.545930565343 0.471724654543 0.726556388498} H14 2030 -1 1 {} H 0.0 {0.521430672167 0.408199265617 0.680167237455} H15 2031 -1 1 {} H 0.0 {0.514855835622 0.422761326134 0.708337339803} H16 2032 -1 1 {} H 0.0 {0.50968962204 0.406146013461 0.704601496334} H18 2033 -1 14 {} Si 0.0 {0.316425433818 0.380523767099 0.554294578048} Si1 2034 -1 8 {} O 0.0 {0.333415864317 0.384871562165 0.548637508066} O1 2035 -1 14 {} Si 0.0 {0.333277220576 0.400452527095 0.538686451981} Si2 2036 -1 8 {} O 0.0 {0.348337606686 0.410453963683 0.54280246935} O2 2037 -1 14 {} Si 0.0 {0.345101053219 0.423177794242 0.556115518418} Si3 2038 -1 7 {} N 0.0 {0.327847044689 0.421171501973 0.563291999761} N1 2039 -1 14 {} Si 0.0 {0.321940941831 0.437284414349 0.572038727156} Si4 2040 -1 14 {} Si 0.0 {0.328650353672 0.406370730572 0.575208699354} Si5 2041 -1 7 {} N 0.0 {0.303377466707 0.439783662443 0.568945819246} N2 2042 -1 7 {} N 0.0 {0.331258513584 0.451763158641 0.564846551774} N3 2043 -1 7 {} N 0.0 {0.324738597177 0.436781853406 0.590515919051} N4 2044 -1 7 {} N 0.0 {0.31421979539 0.395716981991 0.571911621063} N5 2045 -1 7 {} N 0.0 {0.344057812968 0.396739955452 0.571246451662} N6 2046 -1 7 {} N 0.0 {0.329304573623 0.410975869059 0.594078471367} N7 2047 -1 8 {} O 0.0 {0.316598213352 0.378114101518 0.572580259526} O3 2048 -1 6 {} C 0.0 {0.310741748809 0.364654602916 0.545939780362} C1 2049 -1 8 {} O 0.0 {0.30472597813 0.39413524304 0.550197005667} O4 2050 -1 7 {} N 0.0 {0.347179442066 0.440028630639 0.548646531415} N8 2051 -1 8 {} O 0.0 {0.357494346192 0.420941018314 0.569497831297} O5 2052 -1 1 {} H 0.0 {0.321570486503 0.407987544847 0.541399997705} H1 2053 -1 1 {} H 0.0 {0.333516013516 0.397069165572 0.524778475929} H2 2054 -1 1 {} H 0.0 {0.302111250831 0.448929049075 0.563535187567} H3 2055 -1 1 {} H 0.0 {0.298828910393 0.44141402593 0.578414329589} H4 2056 -1 1 {} H 0.0 {0.3287417615 0.452444342867 0.55454204213} H5 2057 -1 1 {} H 0.0 {0.341663221342 0.449260579817 0.565346778811} H6 2058 -1 1 {} H 0.0 {0.315180454995 0.437104802362 0.595067501562} H7 2059 -1 1 {} H 0.0 {0.329679272662 0.445972169884 0.593169760985} H8 2060 -1 1 {} H 0.0 {0.31356741558 0.394765940765 0.561524093624} H9 2061 -1 1 {} H 0.0 {0.305607948092 0.401255397342 0.575059171894} H10 2062 -1 1 {} H 0.0 {0.350447161941 0.403165369604 0.565638543153} H11 2063 -1 1 {} H 0.0 {0.341125753068 0.388813738174 0.5646359697} H12 2064 -1 1 {} H 0.0 {0.33662362079 0.41881562507 0.595417956847} H13 2065 -1 1 {} H 0.0 {0.333373269437 0.402388844813 0.59917326946} H14 2066 -1 1 {} H 0.0 {0.307619447265 0.373778421947 0.575606047733} H15 2067 -1 1 {} H 0.0 {0.317002172208 0.356356902528 0.549229466267} H16 2068 -1 1 {} H 0.0 {0.311543744982 0.365753697535 0.535143630374} H17 2069 -1 1 {} H 0.0 {0.300361848987 0.362657688559 0.548619555091} H18 2070 -1 1 {} H 0.0 {0.295520175851 0.392335556227 0.554945073748} H19 2071 -1 1 {} H 0.0 {0.351870752886 0.446179862605 0.555937558832} H20 2072 -1 1 {} H 0.0 {0.337355028551 0.443958489984 0.54711610394} H21 2073 -1 1 {} H 0.0 {0.367156096612 0.421553773959 0.565420262956} H22 2074 -1 14 {} Si 0.0 {0.461947414709 0.485757201641 0.250151083011} Si1 2075 -1 8 {} O 0.0 {0.4532114576 0.485238407668 0.266202160696} O1 2076 -1 14 {} Si 0.0 {0.460118506615 0.498271214917 0.276976538762} Si2 2077 -1 8 {} O 0.0 {0.47381471723 0.491218016048 0.287113448733} O2 2078 -1 14 {} Si 0.0 {0.481289042311 0.476791662377 0.278315192327} Si3 2079 -1 7 {} N 0.0 {0.499812796626 0.479547835317 0.276529432667} N1 2080 -1 14 {} Si 0.0 {0.502683781878 0.498348654435 0.277949103197} Si4 2081 -1 14 {} Si 0.0 {0.505650377336 0.473899103915 0.259059910766} Si5 2082 -1 7 {} N 0.0 {0.520695458187 0.501903991482 0.280932497932} N2 2083 -1 7 {} N 0.0 {0.492806442188 0.505146470528 0.292161846841} N3 2084 -1 7 {} N 0.0 {0.497264891903 0.506788463445 0.26223712853} N4 2085 -1 7 {} N 0.0 {0.507994304741 0.455309745674 0.258271862233} N5 2086 -1 7 {} N 0.0 {0.493006158887 0.478876751375 0.246395801017} N6 2087 -1 7 {} N 0.0 {0.521758041891 0.482287577621 0.25508409977} N7 2088 -1 8 {} O 0.0 {0.479511522874 0.490457902742 0.252868036047} O4 2089 -1 7 {} N 0.0 {0.473234282338 0.474960027013 0.26172511159} N8 2090 -1 8 {} O 0.0 {0.478235415053 0.461615898924 0.28821043195} O5 2091 -1 1 {} H 0.0 {0.449829330265 0.503293643544 0.285519037666} H1 2092 -1 1 {} H 0.0 {0.465207459386 0.508918367831 0.268885890452} H2 2093 -1 1 {} H 0.0 {0.522472628258 0.500866034851 0.291381495145} H3 2094 -1 1 {} H 0.0 {0.522212503358 0.512300247218 0.278597988423} H4 2095 -1 1 {} H 0.0 {0.487341632099 0.497069550555 0.296394321528} H5 2096 -1 1 {} H 0.0 {0.485563312295 0.511877718803 0.287928745591} H6 2097 -1 1 {} H 0.0 {0.505815707 0.511693813546 0.258170804519} H7 2098 -1 1 {} H 0.0 {0.490376230848 0.514527654966 0.265103936208} H8 2099 -1 1 {} H 0.0 {0.511333717576 0.452969451796 0.248461089018} H9 2100 -1 1 {} H 0.0 {0.498236792718 0.450836042636 0.259251220125} H10 2101 -1 1 {} H 0.0 {0.520279636617 0.487851619183 0.246130025467} H13 2102 -1 1 {} H 0.0 {0.528790336207 0.474527531854 0.252723294694} H14 2103 -1 1 {} H 0.0 {0.459150999181 0.461306636926 0.249553321225} H17 2104 -1 1 {} H 0.0 {0.480839928843 0.50056822164 0.250306706914} H19 2105 -1 1 {} H 0.0 {0.467361717116 0.466081305525 0.262077545308} H20 2106 -1 1 {} H 0.0 {0.48103961551 0.473162425349 0.25467362632} H21 2107 -1 1 {} H 0.0 {0.468239723546 0.461509103816 0.291443853599} H22 2108 -1 14 {} Si 0.0 {0.497169644864 0.61499859963 0.334578856023} Si1 2109 -1 8 {} O 0.0 {0.493065759062 0.610035163167 0.351991871153} O1 2110 -1 14 {} Si 0.0 {0.497320067835 0.623503803602 0.36394263283} Si2 2111 -1 8 {} O 0.0 {0.498548754268 0.616486696132 0.381137148585} O2 2112 -1 14 {} Si 0.0 {0.484445274136 0.604398261232 0.385510276713} Si3 2113 -1 7 {} N 0.0 {0.475892985565 0.595907419943 0.370401203435} N1 2114 -1 14 {} Si 0.0 {0.488253561357 0.585982430723 0.360756676382} Si4 2115 -1 14 {} Si 0.0 {0.465120718067 0.607587580037 0.358443956008} Si5 2116 -1 7 {} N 0.0 {0.479442921848 0.577419693853 0.346779373657} N2 2117 -1 7 {} N 0.0 {0.495583491552 0.573293757599 0.372145089185} N3 2118 -1 7 {} N 0.0 {0.501688801297 0.596782284922 0.354124543383} N4 2119 -1 7 {} N 0.0 {0.475184015152 0.615756943806 0.344241773121} N5 2120 -1 7 {} N 0.0 {0.451347974699 0.596713122635 0.350842605197} N6 2121 -1 7 {} N 0.0 {0.456222905396 0.620225768826 0.368017596252} N7 2122 -1 8 {} O 0.0 {0.502643100063 0.60012792848 0.325188775424} O3 2123 -1 6 {} C 0.0 {0.51088432227 0.627858451767 0.334366866969} C1 2124 -1 8 {} O 0.0 {0.482277922504 0.62206320032 0.326553636571} O4 2125 -1 7 {} N 0.0 {0.471483807205 0.613082774243 0.395350828464} N8 2126 -1 8 {} O 0.0 {0.491597418897 0.591226376259 0.396098615582} O5 2127 -1 1 {} H 0.0 {0.487195211509 0.633670211938 0.363639625986} H1 2128 -1 1 {} H 0.0 {0.509876910446 0.629321033352 0.360307442168} H2 2129 -1 1 {} H 0.0 {0.482487721601 0.567221027746 0.34687985991} H3 2130 -1 1 {} H 0.0 {0.48321584266 0.581671520456 0.337670031083} H4 2131 -1 1 {} H 0.0 {0.49471794344 0.577109242934 0.382073730592} H5 2132 -1 1 {} H 0.0 {0.506065903758 0.572860818027 0.369941957764} H6 2133 -1 1 {} H 0.0 {0.504403050853 0.592873138383 0.344593681108} H7 2134 -1 1 {} H 0.0 {0.51019206503 0.595359101413 0.360548041529} H8 2135 -1 1 {} H 0.0 {0.477074485067 0.625904672955 0.346731064668} H9 2136 -1 1 {} H 0.0 {0.468739987441 0.616235836305 0.335629974209} H10 2137 -1 1 {} H 0.0 {0.455663266014 0.590470461476 0.343245140244} H11 2138 -1 1 {} H 0.0 {0.444518006076 0.603374534704 0.345821696792} H12 2139 -1 1 {} H 0.0 {0.449341043382 0.615010441959 0.373968501201} H13 2140 -1 1 {} H 0.0 {0.450366194715 0.625924550205 0.360965725727} H14 2141 -1 1 {} H 0.0 {0.494223147961 0.594798967801 0.321857233415} H15 2142 -1 1 {} H 0.0 {0.520547219633 0.62284661586 0.333975988245} H16 2143 -1 1 {} H 0.0 {0.5103059404 0.633993700023 0.343343251517} H17 2144 -1 1 {} H 0.0 {0.50973128585 0.634197899982 0.325569905971} H18 2145 -1 1 {} H 0.0 {0.485060435569 0.630451249922 0.320903662858} H19 2146 -1 1 {} H 0.0 {0.475293978464 0.614318790275 0.405040253346} H20 2147 -1 1 {} H 0.0 {0.463375561367 0.606236201895 0.396284386429} H21 2148 -1 1 {} H 0.0 {0.499290159786 0.595306866449 0.401975927287} H22 2149 -1 14 {} Si 0.0 {0.299473982227 0.486925550075 0.336116825336} Si1 2150 -1 8 {} O 0.0 {0.297924848553 0.491354829446 0.35404928787} O1 2151 -1 14 {} Si 0.0 {0.29114364727 0.476877630176 0.36309044276} Si2 2152 -1 8 {} O 0.0 {0.304532158938 0.46881538942 0.37295773397} O2 2153 -1 14 {} Si 0.0 {0.304458763926 0.450591112957 0.369620342126} Si3 2154 -1 7 {} N 0.0 {0.32018939203 0.442579971145 0.377819449884} N1 2155 -1 14 {} Si 0.0 {0.326487769612 0.455602816125 0.391478227775} Si4 2156 -1 14 {} Si 0.0 {0.334883638123 0.438965753492 0.364836077658} Si5 2157 -1 7 {} N 0.0 {0.323861963457 0.44843891543 0.409135333849} N2 2158 -1 7 {} N 0.0 {0.316008363916 0.470705991875 0.389804440522} N3 2159 -1 7 {} N 0.0 {0.344966717456 0.460194652677 0.389799033288} N4 2160 -1 7 {} N 0.0 {0.330987687757 0.444214762328 0.346798163811} N5 2161 -1 7 {} N 0.0 {0.350816579408 0.447804538382 0.370132675197} N6 2162 -1 7 {} N 0.0 {0.338090510519 0.420835364154 0.36483979243} N7 2163 -1 8 {} O 0.0 {0.31295241033 0.497099522381 0.328324897379} O3 2164 -1 8 {} O 0.0 {0.303769165062 0.468946175297 0.333959738655} O4 2165 -1 7 {} N 0.0 {0.303224232075 0.448299784513 0.351280474682} N8 2166 -1 8 {} O 0.0 {0.289388792131 0.443359568885 0.377141331573} O5 2167 -1 1 {} H 0.0 {0.285970705189 0.467490152994 0.353650332821} H1 2168 -1 1 {} H 0.0 {0.280613251164 0.481224818697 0.371689318306} H2 2169 -1 1 {} H 0.0 {0.326795970649 0.438196665897 0.409109354737} H3 2170 -1 1 {} H 0.0 {0.31327258297 0.448520603696 0.411205771958} H4 2171 -1 1 {} H 0.0 {0.30678244761 0.468487389707 0.39448541926} H5 2172 -1 1 {} H 0.0 {0.320715120807 0.478442369415 0.395653227917} H6 2173 -1 1 {} H 0.0 {0.350073826284 0.455232106637 0.397473941226} H7 2174 -1 1 {} H 0.0 {0.346025392473 0.470771107335 0.391979927562} H8 2175 -1 1 {} H 0.0 {0.321900831234 0.440776307328 0.34416112189} H9 2176 -1 1 {} H 0.0 {0.338010366315 0.439180413762 0.340451412264} H10 2177 -1 1 {} H 0.0 {0.348874460831 0.458280814506 0.369927327341} H11 2178 -1 1 {} H 0.0 {0.358288161917 0.445948615055 0.362658091647} H12 2179 -1 1 {} H 0.0 {0.331489470492 0.416442424351 0.371928050054} H13 2180 -1 1 {} H 0.0 {0.347922831779 0.419559729789 0.368632202557} H14 2181 -1 1 {} H 0.0 {0.313012238185 0.506688734733 0.332520034117} H15 2182 -1 1 {} H 0.0 {0.300056114488 0.463302476632 0.341961851159} H19 2183 -1 1 {} H 0.0 {0.300360482238 0.438255566155 0.34946020603} H20 2184 -1 1 {} H 0.0 {0.312936427777 0.44970564874 0.347272617004} H21 2185 -1 1 {} H 0.0 {0.281102760105 0.445510094158 0.37111253283} H22 2186 -1 14 {} Si 0.0 {0.533669004142 0.637935673367 0.50807886492} Si1 2187 -1 8 {} O 0.0 {0.516417488528 0.643890149381 0.506106740332} O1 2188 -1 14 {} Si 0.0 {0.511618262356 0.652758336918 0.521447746766} Si2 2189 -1 8 {} O 0.0 {0.493373593283 0.654475727328 0.522307890255} O2 2190 -1 14 {} Si 0.0 {0.488041348068 0.649418556486 0.539091360984} Si3 2191 -1 7 {} N 0.0 {0.492768572359 0.631578830978 0.541717651726} N1 2192 -1 14 {} Si 0.0 {0.477448240952 0.621745225522 0.545838599867} Si4 2193 -1 14 {} Si 0.0 {0.503861843343 0.631194783615 0.556553775964} Si5 2194 -1 7 {} N 0.0 {0.479375210575 0.613997635494 0.562597882008} N2 2195 -1 7 {} N 0.0 {0.475118396805 0.608344219454 0.533157324248} N3 2196 -1 7 {} N 0.0 {0.46258599421 0.632833255657 0.545807959219} N4 2197 -1 7 {} N 0.0 {0.499748292265 0.616421234963 0.567024039296} N5 2198 -1 7 {} N 0.0 {0.521565669712 0.630164994195 0.550967963329} N6 2199 -1 7 {} N 0.0 {0.501359378815 0.646748773183 0.566430826861} N7 2200 -1 8 {} O 0.0 {0.538495899157 0.627701631068 0.493578196086} O3 2201 -1 6 {} C 0.0 {0.534964865419 0.627750464363 0.523806103084} C1 2202 -1 8 {} O 0.0 {0.544837529359 0.652346091718 0.509407068375} O4 2203 -1 7 {} N 0.0 {0.46971537414 0.651684892792 0.540904818819} N8 2204 -1 8 {} O 0.0 {0.496682600666 0.659870735863 0.551523182506} O5 2205 -1 1 {} H 0.0 {0.517632638578 0.665693656709 0.521588334878} H1 2206 -1 1 {} H 0.0 {0.516167562179 0.64530724341 0.532777761681} H2 2207 -1 1 {} H 0.0 {0.473526442829 0.605085992994 0.562633829573} H3 2208 -1 1 {} H 0.0 {0.474784777356 0.620699926256 0.569634702156} H4 2209 -1 1 {} H 0.0 {0.482979955822 0.609316229642 0.526051007366} H5 2210 -1 1 {} H 0.0 {0.465965394138 0.610573915574 0.527945158128} H6 2211 -1 1 {} H 0.0 {0.455186065674 0.628209925092 0.551928188931} H7 2212 -1 1 {} H 0.0 {0.458761835157 0.632740265935 0.535758673769} H8 2213 -1 1 {} H 0.0 {0.507533285634 0.615392110881 0.574217540041} H9 2214 -1 1 {} H 0.0 {0.500363992265 0.607821164529 0.560589663459} H10 2215 -1 1 {} H 0.0 {0.522593791901 0.621155681043 0.545371299532} H11 2216 -1 1 {} H 0.0 {0.527533545296 0.628964277795 0.559830986669} H12 2217 -1 1 {} H 0.0 {0.510962242795 0.65007956015 0.56958016155} H13 2218 -1 1 {} H 0.0 {0.496017398339 0.643932068538 0.575325991395} H14 2219 -1 1 {} H 0.0 {0.548941507237 0.626566227261 0.493439824854} H15 2220 -1 1 {} H 0.0 {0.544335536267 0.622193835352 0.523779337942} H16 2221 -1 1 {} H 0.0 {0.526603409203 0.620793389069 0.524333277699} H17 2222 -1 1 {} H 0.0 {0.534710752762 0.634399884528 0.532452138298} H18 2223 -1 1 {} H 0.0 {0.543021914221 0.657271121686 0.518515276213} H19 2224 -1 1 {} H 0.0 {0.46786948209 0.662152300728 0.540841553463} H20 2225 -1 1 {} H 0.0 {0.467141549532 0.648194795893 0.550736248481} H21 2226 -1 1 {} H 0.0 {0.500385961661 0.668516825752 0.546840201536} H22 2227 -1 14 {} Si 0.0 {0.439530271386 0.59639820724 0.717536570783} Si1 2228 -1 8 {} O 0.0 {0.463578091395 0.611596063444 0.711076785542} O2 2229 -1 14 {} Si 0.0 {0.448100300229 0.602128892558 0.704170225693} Si3 2230 -1 7 {} N 0.0 {0.446391887045 0.582745863008 0.708664321228} N1 2231 -1 14 {} Si 0.0 {0.460963913192 0.572690231142 0.701904767528} Si5 2232 -1 7 {} N 0.0 {0.455650602832 0.554874882805 0.700715026373} N5 2233 -1 7 {} N 0.0 {0.466142670137 0.578136391455 0.685015558674} N6 2234 -1 7 {} N 0.0 {0.475330646268 0.574103698933 0.71357869894} N7 2235 -1 6 {} C 0.0 {0.457367636977 0.590490509415 0.717061108549} C1 2236 -1 8 {} O 0.0 {0.433644815785 0.60241862598 0.700653330177} O4 2237 -1 7 {} N 0.0 {0.446221645029 0.603931576917 0.68570898298} N8 2238 -1 1 {} H 0.0 {0.457706334311 0.551636397058 0.69074398427} H9 2239 -1 1 {} H 0.0 {0.444933616964 0.554778327884 0.701782504841} H10 2240 -1 1 {} H 0.0 {0.461799117842 0.571344515945 0.678199799869} H11 2241 -1 1 {} H 0.0 {0.476672111184 0.576410147171 0.684468834504} H12 2242 -1 1 {} H 0.0 {0.483471117584 0.578153993896 0.708077056168} H13 2243 -1 1 {} H 0.0 {0.478112613788 0.564095547203 0.716240700372} H14 2244 -1 1 {} H 0.0 {0.421764899758 0.581324383479 0.714631799833} H15 2245 -1 1 {} H 0.0 {0.458159899027 0.581763836202 0.721849640486} H16 2246 -1 1 {} H 0.0 {0.460539860688 0.589407236137 0.706836438859} H18 2247 -1 1 {} H 0.0 {0.433926461684 0.59443803314 0.693826028394} H19 2248 -1 1 {} H 0.0 {0.451492149793 0.595889205411 0.681262586409} H20 2249 -1 1 {} H 0.0 {0.451170092141 0.613042644189 0.682763338097} H21 2250 -1 7 {} N 0.0 {0.341975841215 0.550723128071 0.292255083883} N1 2251 -1 14 {} Si 0.0 {0.330234145187 0.545322187563 0.305854479956} Si4 2252 -1 14 {} Si 0.0 {0.353380621315 0.563016949701 0.299781481674} Si5 2253 -1 7 {} N 0.0 {0.339872424176 0.536495962698 0.319092246594} N2 2254 -1 7 {} N 0.0 {0.321968746101 0.56018652544 0.313385910465} N4 2255 -1 7 {} N 0.0 {0.369292135133 0.554838128387 0.304665121084} N5 2256 -1 7 {} N 0.0 {0.345235789238 0.570089905401 0.314727714673} N7 2257 -1 1 {} H 0.0 {0.333306412773 0.529424625046 0.323603565437} H3 2258 -1 1 {} H 0.0 {0.342137509492 0.543825233955 0.326655525393} H4 2259 -1 1 {} H 0.0 {0.327370643238 0.562609012148 0.322246080589} H7 2260 -1 1 {} H 0.0 {0.373619589156 0.560773150571 0.312397537226} H9 2261 -1 1 {} H 0.0 {0.375861881384 0.555599613026 0.29619215904} H10 2262 -1 1 {} H 0.0 {0.366832338197 0.575087411652 0.283991211562} H12 2263 -1 1 {} H 0.0 {0.336486015172 0.57520839693 0.311476002768} H13 2264 -1 1 {} H 0.0 {0.351912780959 0.577480147218 0.318571925511} H14 2265 -1 14 {} Si 0.0 {0.527820172761 0.594284291488 0.498489515453} Si1 2266 -1 8 {} O 0.0 {0.543823677892 0.586172794857 0.50256223159} O1 2267 -1 14 {} Si 0.0 {0.557052935526 0.598935373515 0.503404037174} Si2 2268 -1 8 {} O 0.0 {0.565373234782 0.600286386301 0.48706955462} O2 2269 -1 14 {} Si 0.0 {0.583490945793 0.598943526159 0.489533617792} Si3 2270 -1 7 {} N 0.0 {0.589973555234 0.615010199881 0.496103378591} N1 2271 -1 14 {} Si 0.0 {0.584788499866 0.628668562718 0.484370056873} Si4 2272 -1 14 {} Si 0.0 {0.60842828862 0.613816463693 0.495630120387} Si5 2273 -1 7 {} N 0.0 {0.589003800871 0.645217733132 0.491798008316} N2 2274 -1 7 {} N 0.0 {0.566392353871 0.627772569406 0.481511035169} N3 2275 -1 7 {} N 0.0 {0.593736723329 0.626842025483 0.468202928485} N4 2276 -1 7 {} N 0.0 {0.614413800838 0.605543969721 0.511111078351} N5 2277 -1 7 {} N 0.0 {0.613696278698 0.603853354092 0.480903557392} N6 2278 -1 7 {} N 0.0 {0.615596931851 0.630755981532 0.494501552669} N7 2279 -1 8 {} O 0.0 {0.529989272378 0.612534567518 0.498827749075} O3 2280 -1 6 {} C 0.0 {0.51486457735 0.589318994147 0.511103081593} C1 2281 -1 8 {} O 0.0 {0.522365223338 0.589040925979 0.481709143036} O4 2282 -1 7 {} N 0.0 {0.591932435198 0.594978276053 0.473413486232} N8 2283 -1 8 {} O 0.0 {0.586954529331 0.585526634205 0.501645278379} O5 2284 -1 1 {} H 0.0 {0.566663672269 0.595204417481 0.513272432502} H1 2285 -1 1 {} H 0.0 {0.551303495319 0.611545089878 0.506901063641} H2 2286 -1 1 {} H 0.0 {0.580709199271 0.648225988338 0.497774644504} H3 2287 -1 1 {} H 0.0 {0.589566305045 0.65220599598 0.483627947932} H4 2288 -1 1 {} H 0.0 {0.564261249756 0.61814665218 0.477466889545} H5 2289 -1 1 {} H 0.0 {0.56410295291 0.634932372553 0.473785644916} H6 2290 -1 1 {} H 0.0 {0.602544633753 0.632824606788 0.468791423761} H7 2291 -1 1 {} H 0.0 {0.587486352153 0.631358268511 0.46069765993} H8 2292 -1 1 {} H 0.0 {0.623539377218 0.600651855065 0.508699223566} H9 2293 -1 1 {} H 0.0 {0.607302352758 0.597800472134 0.513427822277} H10 2294 -1 1 {} H 0.0 {0.620427597728 0.596375559224 0.484419753079} H11 2295 -1 1 {} H 0.0 {0.619440974565 0.610436336359 0.474642826408} H12 2296 -1 1 {} H 0.0 {0.623312545071 0.631391553941 0.501808904185} H13 2297 -1 1 {} H 0.0 {0.607843483167 0.637559885394 0.497579884964} H14 2298 -1 1 {} H 0.0 {0.533412089824 0.615455995511 0.508315504554} H15 2299 -1 1 {} H 0.0 {0.513239861973 0.597541906886 0.518063862141} H16 2300 -1 1 {} H 0.0 {0.518301877423 0.580552086984 0.516573379415} H17 2301 -1 1 {} H 0.0 {0.505531142001 0.586991522653 0.50598311984} H18 2302 -1 1 {} H 0.0 {0.515275133073 0.59586808965 0.478055022672} H19 2303 -1 1 {} H 0.0 {0.601672523672 0.591379891767 0.475767746228} H20 2304 -1 1 {} H 0.0 {0.593314751782 0.604298412728 0.468250376725} H21 2305 -1 1 {} H 0.0 {0.579814273526 0.577911124936 0.500548293267} H22 2306 -1 1 {} H 0.0 {0.622441246512 0.303781717046 0.445705509996} H9 2307 -1 8 {} O 0.0 {0.473333450238 0.332414794532 0.323037512599} O1 2308 -1 8 {} O 0.0 {0.451674156506 0.350667913108 0.313108313131} O3 2309 -1 1 {} H 0.0 {0.499557937439 0.329774824447 0.318207248083} H1 2310 -1 1 {} H 0.0 {0.446266186029 0.346799865094 0.321237578299} H15 2311 -1 14 {} Si 0.0 {0.389092399836 0.37352544471 0.465215083436} Si1 2312 -1 8 {} O 0.0 {0.378783331443 0.362598315208 0.476667689675} O1 2313 -1 14 {} Si 0.0 {0.386100856525 0.345469908296 0.480563731243} Si2 2314 -1 8 {} O 0.0 {0.394987335146 0.338674170532 0.466484359937} O2 2315 -1 14 {} Si 0.0 {0.409560734296 0.348905667571 0.464659624227} Si3 2316 -1 7 {} N 0.0 {0.404008433932 0.36645165901 0.465099495395} N1 2317 -1 14 {} Si 0.0 {0.419150781223 0.376677608438 0.461927152352} Si4 2318 -1 14 {} Si 0.0 {0.396562145044 0.371134343918 0.482393180988} Si5 2319 -1 7 {} N 0.0 {0.420361604348 0.390290265907 0.474274032875} N2 2320 -1 7 {} N 0.0 {0.418132555902 0.38378632815 0.444824516184} N3 2321 -1 7 {} N 0.0 {0.43425112901 0.365921124963 0.463208314544} N4 2322 -1 7 {} N 0.0 {0.38528318136 0.385863050152 0.479924701347} N5 2323 -1 7 {} N 0.0 {0.386417452211 0.35769000379 0.490161970778} N6 2324 -1 7 {} N 0.0 {0.410239346911 0.375829368531 0.494041453002} N7 2325 -1 8 {} O 0.0 {0.396553277877 0.363386282313 0.451743765008} O3 2326 -1 6 {} C 0.0 {0.402902497098 0.383081748376 0.474695227756} C1 2327 -1 8 {} O 0.0 {0.377891818207 0.385970950312 0.457623236087} O4 2328 -1 7 {} N 0.0 {0.417628197625 0.345303004624 0.448292963433} N8 2329 -1 8 {} O 0.0 {0.421511831614 0.345757079703 0.478300858428} O5 2330 -1 1 {} H 0.0 {0.375557078223 0.336566796626 0.484221970015} H1 2331 -1 1 {} H 0.0 {0.395332827892 0.346527696158 0.491526594876} H2 2332 -1 1 {} H 0.0 {0.420330931015 0.399455251676 0.468793334446} H3 2333 -1 1 {} H 0.0 {0.430099003674 0.389385849354 0.478794784342} H4 2334 -1 1 {} H 0.0 {0.409531215728 0.37955644681 0.440157355061} H5 2335 -1 1 {} H 0.0 {0.426673415344 0.380073918966 0.439431467059} H6 2336 -1 1 {} H 0.0 {0.439318656034 0.368658394324 0.472176351476} H7 2337 -1 1 {} H 0.0 {0.440715620582 0.368705437415 0.455071636543} H8 2338 -1 1 {} H 0.0 {0.384091005525 0.390572209517 0.489389620909} H9 2339 -1 1 {} H 0.0 {0.375627958128 0.381936451649 0.477222399351} H10 2340 -1 1 {} H 0.0 {0.376359007331 0.361299949743 0.490921133405} H11 2341 -1 1 {} H 0.0 {0.389965012831 0.35661469897 0.500255938396} H12 2342 -1 1 {} H 0.0 {0.414886781986 0.366796545287 0.497238704124} H13 2343 -1 1 {} H 0.0 {0.405528172981 0.380090344 0.502738922669} H14 2344 -1 1 {} H 0.0 {0.393850888387 0.367468898384 0.442427135988} H15 2345 -1 1 {} H 0.0 {0.411400771784 0.376466280704 0.476467488515} H16 2346 -1 1 {} H 0.0 {0.399106307208 0.386702820233 0.484327723799} H17 2347 -1 1 {} H 0.0 {0.406103781022 0.391578931717 0.468752900307} H18 2348 -1 1 {} H 0.0 {0.374508415641 0.39260766597 0.465049790372} H19 2349 -1 1 {} H 0.0 {0.424893728892 0.35290424899 0.446596283372} H20 2350 -1 1 {} H 0.0 {0.410036379516 0.346585547045 0.440772644517} H21 2351 -1 1 {} H 0.0 {0.430709863887 0.350363673583 0.476002115487} H22 2352 -1 7 {} N 0.0 {0.51193038572 0.330610025058 0.649012176914} N1 2353 -1 14 {} Si 0.0 {0.520839048667 0.340726224317 0.66167032682} Si4 2354 -1 14 {} Si 0.0 {0.496544413236 0.340055326412 0.644412494639} Si5 2355 -1 7 {} N 0.0 {0.525351317987 0.357272070798 0.654582717042} N2 2356 -1 7 {} N 0.0 {0.48570586684 0.34167922422 0.659409882854} N5 2357 -1 7 {} N 0.0 {0.501168332111 0.356983680897 0.638294512056} N6 2358 -1 7 {} N 0.0 {0.487312562155 0.330973636647 0.631069093762} N7 2359 -1 8 {} O 0.0 {0.467787072886 0.345868858862 0.653119759584} O4 2360 -1 1 {} H 0.0 {0.535162139376 0.359593358629 0.658030250293} H3 2361 -1 1 {} H 0.0 {0.518741547996 0.364455852056 0.659109571205} H4 2362 -1 1 {} H 0.0 {0.485448113716 0.352002591554 0.662013065026} H9 2363 -1 1 {} H 0.0 {0.490789639896 0.336633414672 0.667431180144} H10 2364 -1 1 {} H 0.0 {0.507292622906 0.361471410131 0.645757113434} H11 2365 -1 1 {} H 0.0 {0.49206515103 0.362723000308 0.637946675644} H12 2366 -1 1 {} H 0.0 {0.488508578468 0.336535046857 0.622055677344} H13 2367 -1 1 {} H 0.0 {0.476876725315 0.331526448603 0.633630439029} H14 2368 -1 1 {} H 0.0 {0.443821554346 0.350678926684 0.669649285079} H18 2369 -1 1 {} H 0.0 {0.460948568562 0.353815921241 0.652293045707} H19 2370 -1 14 {} Si 0.0 {0.662593809105 0.459657787711 0.420992715439} Si1 2371 -1 8 {} O 0.0 {0.68035245597 0.455386431285 0.417617031239} O1 2372 -1 14 {} Si 0.0 {0.691841040943 0.469292804638 0.421684703909} Si2 2373 -1 8 {} O 0.0 {0.707303161487 0.462151184751 0.42879091725} O2 2374 -1 14 {} Si 0.0 {0.70450139355 0.444236090667 0.432395713533} Si3 2375 -1 7 {} N 0.0 {0.693852527672 0.442649408066 0.447514095343} N1 2376 -1 14 {} Si 0.0 {0.687243531774 0.459412652848 0.451056139515} Si4 2377 -1 14 {} Si 0.0 {0.704608486736 0.437947352077 0.461687168546} Si5 2378 -1 7 {} N 0.0 {0.680049607006 0.460010061429 0.468176891846} N2 2379 -1 7 {} N 0.0 {0.674154487936 0.46265763681 0.438876843061} N3 2380 -1 7 {} N 0.0 {0.700717178058 0.472107689586 0.449368442694} N4 2381 -1 7 {} N 0.0 {0.72240302965 0.439245609641 0.456579329361} N5 2382 -1 7 {} N 0.0 {0.701350081489 0.449458043415 0.475926473342} N6 2383 -1 7 {} N 0.0 {0.700562242106 0.4205027165 0.466696183721} N7 2384 -1 8 {} O 0.0 {0.652607997737 0.444238824075 0.419347110613} O3 2385 -1 6 {} C 0.0 {0.656409648043 0.472192067445 0.40865755876} C1 2386 -1 8 {} O 0.0 {0.660477044106 0.466594839799 0.438078604362} O4 2387 -1 7 {} N 0.0 {0.720695372132 0.435675228687 0.435279149399} N8 2388 -1 8 {} O 0.0 {0.695957869615 0.436431259278 0.418090372378} O5 2389 -1 1 {} H 0.0 {0.68574718706 0.478077566062 0.431228240873} H1 2390 -1 1 {} H 0.0 {0.694950757005 0.476571655967 0.409776988757} H2 2391 -1 1 {} H 0.0 {0.671056506843 0.454287587368 0.468011935013} H3 2392 -1 1 {} H 0.0 {0.677133500017 0.470227991681 0.4699316675} H4 2393 -1 1 {} H 0.0 {0.669421226618 0.453366980291 0.437048238945} H5 2394 -1 1 {} H 0.0 {0.678943911897 0.465369928891 0.429826145293} H6 2395 -1 1 {} H 0.0 {0.708865664066 0.468879658736 0.455405441923} H7 2396 -1 1 {} H 0.0 {0.696994303938 0.481170734065 0.453833535437} H8 2397 -1 1 {} H 0.0 {0.725407874895 0.449389321947 0.458534731246} H10 2398 -1 1 {} H 0.0 {0.698684205539 0.458921029151 0.471792040966} H11 2399 -1 1 {} H 0.0 {0.710738436971 0.450863433901 0.480967044012} H12 2400 -1 1 {} H 0.0 {0.701238259244 0.420005570526 0.477293131698} H13 2401 -1 1 {} H 0.0 {0.708379480528 0.414246552714 0.462791931701} H14 2402 -1 1 {} H 0.0 {0.656679933126 0.438231495594 0.411772529706} H15 2403 -1 1 {} H 0.0 {0.653137021242 0.467079723239 0.399608118844} H16 2404 -1 1 {} H 0.0 {0.664381103495 0.479132500556 0.406271186398} H17 2405 -1 1 {} H 0.0 {0.648019542323 0.477630610389 0.412999127695} H18 2406 -1 1 {} H 0.0 {0.665522193909 0.47581244256 0.43879435915} H19 2407 -1 1 {} H 0.0 {0.718873811146 0.428056310917 0.442653000331} H21 2408 -1 1 {} H 0.0 {0.698792866446 0.44132470394 0.409244128053} H22 2409 -1 14 {} Si 0.0 {0.416136994902 0.421963481136 0.705774642166} Si1 2410 -1 7 {} N 0.0 {0.361701076152 0.422389572322 0.677818892997} N5 2411 -1 8 {} O 0.0 {0.410753812225 0.427939525241 0.68922364655} O3 2412 -1 6 {} C 0.0 {0.423384026628 0.404734512607 0.704236988723} C1 2413 -1 8 {} O 0.0 {0.428787336888 0.433377698281 0.712645035306} O4 2414 -1 1 {} H 0.0 {0.365042615185 0.430764845238 0.67213138031} H9 2415 -1 1 {} H 0.0 {0.355321888383 0.4166449649 0.671347602424} H10 2416 -1 1 {} H 0.0 {0.355677811614 0.450559836947 0.682196139171} H13 2417 -1 1 {} H 0.0 {0.41550713268 0.437060123752 0.687094703592} H15 2418 -1 1 {} H 0.0 {0.434208363728 0.405424863787 0.703419218562} H16 2419 -1 1 {} H 0.0 {0.419351133573 0.399868790996 0.695358170371} H17 2420 -1 1 {} H 0.0 {0.378177952621 0.416750425545 0.681282246906} H20 2421 -1 14 {} Si 0.0 {0.254027841887 0.508092667512 0.488073752317} Si5 2422 -1 7 {} N 0.0 {0.257977960958 0.483211833603 0.50480189022} N4 2423 -1 7 {} N 0.0 {0.25757914692 0.515943910303 0.471631365465} N5 2424 -1 7 {} N 0.0 {0.25255250359 0.521169735662 0.501123055374} N6 2425 -1 7 {} N 0.0 {0.267833163959 0.496419545336 0.492493645336} N7 2426 -1 1 {} H 0.0 {0.731306901081 0.503527179119 0.506887298466} H2 2427 -1 1 {} H 0.0 {0.245097724881 0.465671231998 0.483860085324} H4 2428 -1 1 {} H 0.0 {0.261599908215 0.473356032478 0.502959573707} H7 2429 -1 1 {} H 0.0 {0.257698425477 0.484415419774 0.515492998208} H8 2430 -1 1 {} H 0.0 {0.266987938287 0.520857507584 0.472453864347} H9 2431 -1 1 {} H 0.0 {0.250206729378 0.523642389409 0.470238270013} H10 2432 -1 1 {} H 0.0 {0.257200658383 0.529942773825 0.497313420395} H11 2433 -1 1 {} H 0.0 {0.258531554684 0.517890270511 0.50944431622} H12 2434 -1 1 {} H 0.0 {0.273371942622 0.500900415054 0.500385810957} H13 2435 -1 1 {} H 0.0 {0.274390036604 0.496007576651 0.483977548752} H14 2436 -1 14 {} Si 0.0 {0.537227404486 0.741332109284 0.407279439935} Si2 2437 -1 7 {} N 0.0 {0.560987130144 0.720470697153 0.406883399173} N1 2438 -1 14 {} Si 0.0 {0.545785311195 0.716072193262 0.416624408258} Si4 2439 -1 14 {} Si 0.0 {0.574513499226 0.708869683404 0.411988540403} Si5 2440 -1 7 {} N 0.0 {0.548506248304 0.700054615503 0.425588045457} N2 2441 -1 7 {} N 0.0 {0.531194664523 0.714368474575 0.405146860474} N3 2442 -1 7 {} N 0.0 {0.542471424461 0.729595856219 0.428970768083} N4 2443 -1 7 {} N 0.0 {0.569088041751 0.699196263631 0.426885239677} N5 2444 -1 7 {} N 0.0 {0.578560107809 0.69728839759 0.398069496443} N6 2445 -1 7 {} N 0.0 {0.58962320856 0.718842934871 0.416293842315} N7 2446 -1 7 {} N 0.0 {0.576159513168 0.734504746011 0.428533156418} N8 2447 -1 1 {} H 0.0 {0.534339520216 0.728032827996 0.411330020074} H1 2448 -1 1 {} H 0.0 {0.538901865043 0.695851678816 0.427492370949} H3 2449 -1 1 {} H 0.0 {0.5526983067 0.702568327912 0.43516859148} H4 2450 -1 1 {} H 0.0 {0.532399707274 0.721595299929 0.397397143744} H5 2451 -1 1 {} H 0.0 {0.522485261484 0.717331725792 0.410769218289} H6 2452 -1 1 {} H 0.0 {0.548546184521 0.727638465204 0.437506821818} H7 2453 -1 1 {} H 0.0 {0.532269764261 0.728465783373 0.4321442883} H8 2454 -1 1 {} H 0.0 {0.575434209827 0.702039325118 0.434964803858} H9 2455 -1 1 {} H 0.0 {0.571222687594 0.688875215906 0.424807662985} H10 2456 -1 1 {} H 0.0 {0.570056284205 0.69691151332 0.391685007059} H11 2457 -1 1 {} H 0.0 {0.579579884781 0.687519006719 0.402424750027} H12 2458 -1 1 {} H 0.0 {0.596976772356 0.71190588453 0.419939312956} H14 2459 -1 1 {} H 0.0 {0.573883358874 0.724727659946 0.432104461002} H20 2460 -1 14 {} Si 0.0 {0.472160722324 0.598719882934 0.710998928751} Si2 2461 -1 8 {} O 0.0 {0.470355162204 0.587041116903 0.696950136869} O2 2462 -1 14 {} Si 0.0 {0.483402352287 0.590288731941 0.684326398178} Si3 2463 -1 7 {} N 0.0 {0.474802691414 0.593621641211 0.668316363078} N1 2464 -1 14 {} Si 0.0 {0.46131082545 0.604893676861 0.673286713122} Si4 2465 -1 14 {} Si 0.0 {0.466667136003 0.57768926337 0.662607005323} Si5 2466 -1 7 {} N 0.0 {0.461002625882 0.604991767463 0.692003936263} N2 2467 -1 7 {} N 0.0 {0.445083844543 0.598537998063 0.666788045443} N3 2468 -1 7 {} N 0.0 {0.464524909752 0.621977968255 0.666866906074} N4 2469 -1 7 {} N 0.0 {0.477684981136 0.563175074244 0.666521371551} N5 2470 -1 7 {} N 0.0 {0.449999172507 0.575442737388 0.670938920348} N6 2471 -1 7 {} N 0.0 {0.463952330871 0.578543133381 0.644352468878} N7 2472 -1 6 {} C 0.0 {0.460513963824 0.628442107274 0.697194096292} C1 2473 -1 7 {} N 0.0 {0.494642999407 0.575536556734 0.682767699334} N8 2474 -1 8 {} O 0.0 {0.493158773394 0.605073276224 0.689290719836} O5 2475 -1 1 {} H 0.0 {0.47892117271 0.59187875562 0.721452266745} H1 2476 -1 1 {} H 0.0 {0.480174085252 0.609819447815 0.706826158437} H2 2477 -1 1 {} H 0.0 {0.456078325216 0.613818458393 0.6952069591} H3 2478 -1 1 {} H 0.0 {0.471193186676 0.605840316402 0.695194251367} H4 2479 -1 1 {} H 0.0 {0.447289503001 0.59062110901 0.66000653455} H5 2480 -1 1 {} H 0.0 {0.440768583683 0.606476945382 0.660966548013} H6 2481 -1 1 {} H 0.0 {0.4734215233 0.625468444509 0.671557962392} H7 2482 -1 1 {} H 0.0 {0.456514642036 0.628172752528 0.670491629693} H8 2483 -1 1 {} H 0.0 {0.479287335336 0.557875350473 0.657397894227} H9 2484 -1 1 {} H 0.0 {0.472027231493 0.556611973915 0.672907007168} H10 2485 -1 1 {} H 0.0 {0.450345565883 0.580518922493 0.680292253912} H11 2486 -1 1 {} H 0.0 {0.449041548847 0.56491188373 0.6731844289} H12 2487 -1 1 {} H 0.0 {0.453491779456 0.577272523435 0.642744609154} H13 2488 -1 1 {} H 0.0 {0.468791804578 0.569927475632 0.640113670533} H14 2489 -1 1 {} H 0.0 {0.451910239983 0.627379637992 0.690642466508} H16 2490 -1 1 {} H 0.0 {0.468445100698 0.621656177678 0.693988035478} H17 2491 -1 1 {} H 0.0 {0.464167278888 0.638687304651 0.696757868535} H18 2492 -1 1 {} H 0.0 {0.504663285023 0.579108584281 0.683552486028} H20 2493 -1 1 {} H 0.0 {0.493499963795 0.571817870508 0.672751614929} H21 2494 -1 1 {} H 0.0 {0.503349894264 0.60324478372 0.687641771404} H22 2495 -1 1 {} H 0.0 {0.334879874587 0.373558185548 0.621725733635} H18 2496 -1 8 {} O 0.0 {0.539050066852 0.271839513319 0.452065115981} O4 2497 -1 1 {} H 0.0 {0.527932712947 0.747082201359 0.425030437708} H13 2498 -1 1 {} H 0.0 {0.546293387334 0.27944394386 0.450781327903} H19 2499 -1 14 {} Si 0.0 {0.401126820429 0.552826535881 0.511558128868} Si1 2500 -1 8 {} O 0.0 {0.396268786501 0.556648993092 0.493754790734} O1 2501 -1 14 {} Si 0.0 {0.395386099809 0.540519951102 0.483995283842} Si2 2502 -1 8 {} O 0.0 {0.399782231765 0.543636405158 0.466189962066} O2 2503 -1 14 {} Si 0.0 {0.388303587436 0.534498999651 0.454631172879} Si3 2504 -1 7 {} N 0.0 {0.371587401292 0.542515408435 0.454407111825} N1 2505 -1 14 {} Si 0.0 {0.372550770754 0.558500572777 0.464170954821} Si4 2506 -1 14 {} Si 0.0 {0.359861355966 0.530603464964 0.462871336222} Si5 2507 -1 7 {} N 0.0 {0.362508797574 0.557307691638 0.479920299356} N2 2508 -1 7 {} N 0.0 {0.365935466033 0.572361872079 0.453715271081} N3 2509 -1 7 {} N 0.0 {0.390271879684 0.562073191282 0.46837169225} N4 2510 -1 7 {} N 0.0 {0.358102608098 0.515388558838 0.452321486277} N5 2511 -1 7 {} N 0.0 {0.366618809494 0.525653397534 0.479544541666} N6 2512 -1 7 {} N 0.0 {0.343216394452 0.538585407805 0.464938098852} N7 2513 -1 8 {} O 0.0 {0.408256979388 0.567654986796 0.51961424435} O3 2514 -1 6 {} C 0.0 {0.413898428473 0.538956938243 0.51197788468} C1 2515 -1 8 {} O 0.0 {0.386175648384 0.547389332798 0.520856255913} O4 2516 -1 7 {} N 0.0 {0.386269024595 0.516770089106 0.459957722923} N8 2517 -1 8 {} O 0.0 {0.395332595046 0.534856700657 0.437612837548} O5 2518 -1 1 {} H 0.0 {0.382160064217 0.535091405403 0.484871094038} H1 2519 -1 1 {} H 0.0 {0.404647920277 0.531120576317 0.489538637221} H2 2520 -1 1 {} H 0.0 {0.366280508184 0.564628050834 0.486641435028} H3 2521 -1 1 {} H 0.0 {0.364618615988 0.547738509432 0.48430671755} H4 2522 -1 1 {} H 0.0 {0.35838618134 0.577272101253 0.459386482929} H5 2523 -1 1 {} H 0.0 {0.360988540886 0.567796819372 0.445321901091} H6 2524 -1 1 {} H 0.0 {0.390636448316 0.571957809703 0.472329790706} H7 2525 -1 1 {} H 0.0 {0.395661259018 0.562309301851 0.459053182214} H8 2526 -1 1 {} H 0.0 {0.347869756749 0.514668754621 0.449488304211} H9 2527 -1 1 {} H 0.0 {0.360121079048 0.506956735698 0.458702112777} H10 2528 -1 1 {} H 0.0 {0.369587932862 0.515449731064 0.478846842564} H11 2529 -1 1 {} H 0.0 {0.358374619344 0.526003820932 0.486444773436} H12 2530 -1 1 {} H 0.0 {0.337673056928 0.532586024907 0.471766520267} H13 2531 -1 1 {} H 0.0 {0.338238346391 0.537803415908 0.45543203939} H14 2532 -1 1 {} H 0.0 {0.405567552061 0.567662907119 0.529761692238} H15 2533 -1 1 {} H 0.0 {0.423805302053 0.543190835253 0.513746470667} H16 2534 -1 1 {} H 0.0 {0.413858315789 0.533659694603 0.502473446745} H17 2535 -1 1 {} H 0.0 {0.411450838913 0.532018556511 0.520017633321} H18 2536 -1 1 {} H 0.0 {0.387314201286 0.537347446911 0.52372599513} H19 2537 -1 1 {} H 0.0 {0.389364294297 0.510650328439 0.451767201118} H20 2538 -1 1 {} H 0.0 {0.375713608036 0.515114905206 0.461164500798} H21 2539 -1 1 {} H 0.0 {0.389073682703 0.529482919811 0.431128227738} H22 2540 -1 14 {} Si 0.0 {0.495938996992 0.661852188263 0.627108322293} Si1 2541 -1 8 {} O 0.0 {0.509744114848 0.67498558919 0.623405408685} O1 2542 -1 14 {} Si 0.0 {0.510771021156 0.691482255067 0.633285291964} Si2 2543 -1 8 {} O 0.0 {0.497455160369 0.704880464473 0.628456698361} O2 2544 -1 14 {} Si 0.0 {0.4800273935 0.698591155934 0.624495518681} Si3 2545 -1 7 {} N 0.0 {0.480490750526 0.680331370089 0.6238712554} N1 2546 -1 14 {} Si 0.0 {0.463119110558 0.674221106531 0.620984137458} Si4 2547 -1 14 {} Si 0.0 {0.484821761031 0.675058362432 0.641065055155} Si5 2548 -1 7 {} N 0.0 {0.451765516059 0.682038800421 0.633434212436} N2 2549 -1 7 {} N 0.0 {0.462670304409 0.655712576656 0.623093349587} N3 2550 -1 7 {} N 0.0 {0.457532871217 0.678605449075 0.603851667497} N4 2551 -1 7 {} N 0.0 {0.471798147135 0.663333885474 0.64705409769} N5 2552 -1 7 {} N 0.0 {0.502016119718 0.666280702784 0.641938417401} N6 2553 -1 7 {} N 0.0 {0.48488104352 0.689735108021 0.653660069971} N7 2554 -1 8 {} O 0.0 {0.489364358131 0.661564989518 0.64486605625} O3 2555 -1 6 {} C 0.0 {0.503551506868 0.644946400804 0.623875854711} C1 2556 -1 8 {} O 0.0 {0.481983173067 0.66418410149 0.615563779173} O4 2557 -1 7 {} N 0.0 {0.473630299001 0.706139003167 0.609238166887} N8 2558 -1 8 {} O 0.0 {0.468344615213 0.70366743996 0.637947008683} O5 2559 -1 1 {} H 0.0 {0.523468819034 0.697184723735 0.629973809865} H1 2560 -1 1 {} H 0.0 {0.511357718878 0.689303213415 0.647564123932} H2 2561 -1 1 {} H 0.0 {0.445091088834 0.67445370706 0.636816653348} H3 2562 -1 1 {} H 0.0 {0.445805001028 0.689208451988 0.62809414349} H4 2563 -1 1 {} H 0.0 {0.472694265816 0.652442476866 0.624664029222} H5 2564 -1 1 {} H 0.0 {0.459549678413 0.651598568392 0.613656026424} H6 2565 -1 1 {} H 0.0 {0.447319281918 0.68154168114 0.604534979205} H7 2566 -1 1 {} H 0.0 {0.457720821359 0.669490493642 0.598135819496} H8 2567 -1 1 {} H 0.0 {0.462650558988 0.668844773357 0.647473015425} H9 2568 -1 1 {} H 0.0 {0.47433194348 0.660927588255 0.657253632563} H10 2569 -1 1 {} H 0.0 {0.500796300744 0.65581725307 0.639311744238} H11 2570 -1 1 {} H 0.0 {0.504562278645 0.66620530467 0.652203028898} H12 2571 -1 1 {} H 0.0 {0.474926450465 0.693049771603 0.655013889581} H13 2572 -1 1 {} H 0.0 {0.49006343418 0.697551135384 0.649533931361} H14 2573 -1 1 {} H 0.0 {0.48823391519 0.6516018744 0.648036569767} H15 2574 -1 1 {} H 0.0 {0.497046562106 0.637191213011 0.62790636965} H16 2575 -1 1 {} H 0.0 {0.513313946213 0.644383586181 0.628752055306} H17 2576 -1 1 {} H 0.0 {0.504767702478 0.643481217853 0.613161722697} H18 2577 -1 1 {} H 0.0 {0.482139359797 0.656542647609 0.608358589525} H19 2578 -1 1 {} H 0.0 {0.4631632451 0.704498289457 0.609080226832} H20 2579 -1 1 {} H 0.0 {0.477393694803 0.700741084146 0.601841831895} H21 2580 -1 1 {} H 0.0 {0.45883099001 0.699600406112 0.635974021719} H22 2581 -1 14 {} Si 0.0 {0.397104106822 0.426713149473 0.502363785188} Si1 2582 -1 8 {} O 0.0 {0.41549644341 0.427691692486 0.504698500051} O1 2583 -1 14 {} Si 0.0 {0.420282618915 0.443569100877 0.512911437554} Si2 2584 -1 8 {} O 0.0 {0.418053101913 0.457715796558 0.501213765019} O2 2585 -1 14 {} Si 0.0 {0.432044815702 0.458917066961 0.488936934515} Si3 2586 -1 7 {} N 0.0 {0.424573562294 0.461939723927 0.472023841088} N1 2587 -1 14 {} Si 0.0 {0.436374678467 0.456521429353 0.458538508835} Si4 2588 -1 14 {} Si 0.0 {0.422720649038 0.480260270663 0.470202266858} Si5 2589 -1 7 {} N 0.0 {0.435621855756 0.438066265864 0.456214207054} N2 2590 -1 7 {} N 0.0 {0.453657814182 0.461569396677 0.46277614822} N3 2591 -1 7 {} N 0.0 {0.431377147616 0.464828018633 0.442647532202} N4 2592 -1 7 {} N 0.0 {0.439212023266 0.487442497533 0.464574656382} N5 2593 -1 7 {} N 0.0 {0.409197417444 0.483759071118 0.457706289079} N6 2594 -1 7 {} N 0.0 {0.418035574327 0.487778113197 0.486559940258} N7 2595 -1 8 {} O 0.0 {0.390906167558 0.442325751114 0.494891627596} O3 2596 -1 6 {} C 0.0 {0.388568140152 0.423865956758 0.518907379439} C1 2597 -1 8 {} O 0.0 {0.393175274555 0.41267649524 0.491105094978} O4 2598 -1 7 {} N 0.0 {0.442282353682 0.443249263996 0.488832343785} N8 2599 -1 8 {} O 0.0 {0.442767825745 0.473181447494 0.493420718668} O5 2600 -1 1 {} H 0.0 {0.433964468316 0.442891232243 0.51698049227} H1 2601 -1 1 {} H 0.0 {0.412018516768 0.44562526311 0.524414266526} H2 2602 -1 1 {} H 0.0 {0.445583027738 0.434680603373 0.454593791225} H3 2603 -1 1 {} H 0.0 {0.430271248789 0.436348597046 0.447021615187} H4 2604 -1 1 {} H 0.0 {0.45381495063 0.472218809753 0.463165417139} H5 2605 -1 1 {} H 0.0 {0.45979350689 0.458728993362 0.454397980921} H6 2606 -1 1 {} H 0.0 {0.433985549514 0.45826944793 0.434678703827} H7 2607 -1 1 {} H 0.0 {0.437611404894 0.473537819382 0.441620827984} H8 2608 -1 1 {} H 0.0 {0.441838013512 0.495110886162 0.471473405848} H9 2609 -1 1 {} H 0.0 {0.437598421301 0.492304299121 0.455087197497} H10 2610 -1 1 {} H 0.0 {0.413346089308 0.482399532808 0.4479725915} H11 2611 -1 1 {} H 0.0 {0.406749416981 0.494214707299 0.458597776847} H12 2612 -1 1 {} H 0.0 {0.413994157239 0.497438418031 0.484547812796} H13 2613 -1 1 {} H 0.0 {0.427203087286 0.489364725106 0.491958355937} H14 2614 -1 1 {} H 0.0 {0.381107588935 0.444133949465 0.49821378223} H15 2615 -1 1 {} H 0.0 {0.379276629008 0.429579433173 0.519227358578} H16 2616 -1 1 {} H 0.0 {0.395095662479 0.427095113097 0.526993078847} H17 2617 -1 1 {} H 0.0 {0.386326184625 0.413249200429 0.520055324363} H18 2618 -1 1 {} H 0.0 {0.387550410203 0.405501056951 0.496309200634} H19 2619 -1 1 {} H 0.0 {0.442796146194 0.439864989646 0.478750516717} H20 2620 -1 1 {} H 0.0 {0.43676795111 0.435791712945 0.494287777768} H21 2621 -1 1 {} H 0.0 {0.450916210709 0.469777515638 0.499082512599} H22 2622 -1 14 {} Si 0.0 {0.593288561462 0.392205073887 0.295556060644} Si3 2623 -1 7 {} N 0.0 {0.587863295904 0.391436139517 0.313290841731} N1 2624 -1 14 {} Si 0.0 {0.570803030831 0.398520581822 0.313722635009} Si4 2625 -1 14 {} Si 0.0 {0.598893269833 0.40247556176 0.323475931252} Si5 2626 -1 7 {} N 0.0 {0.559917677227 0.388646172384 0.302386381958} N2 2627 -1 7 {} N 0.0 {0.571322563338 0.416156724409 0.307938109816} N3 2628 -1 7 {} N 0.0 {0.564109690774 0.397726827383 0.33100123786} N4 2629 -1 7 {} N 0.0 {0.594228693917 0.420253800147 0.320719158826} N5 2630 -1 7 {} N 0.0 {0.596739886002 0.398240611101 0.341466239104} N6 2631 -1 7 {} N 0.0 {0.616660755647 0.399773218464 0.318668679823} N7 2632 -1 7 {} N 0.0 {0.597526264091 0.409644725387 0.290772223351} N8 2633 -1 1 {} H 0.0 {0.554456881459 0.395549197475 0.296412101087} H3 2634 -1 1 {} H 0.0 {0.552742043296 0.383599110108 0.308602652917} H4 2635 -1 1 {} H 0.0 {0.580899366083 0.41774240656 0.303524427836} H5 2636 -1 1 {} H 0.0 {0.570958015929 0.422295674394 0.316742066938} H6 2637 -1 1 {} H 0.0 {0.556387172909 0.390378184594 0.331043076305} H7 2638 -1 1 {} H 0.0 {0.559350703599 0.407175704842 0.332883001153} H8 2639 -1 1 {} H 0.0 {0.601274941397 0.424351933738 0.313882812327} H9 2640 -1 1 {} H 0.0 {0.595745633604 0.425322655587 0.330091783725} H10 2641 -1 1 {} H 0.0 {0.586285695049 0.39835088336 0.343510207249} H11 2642 -1 1 {} H 0.0 {0.601048857764 0.406333164888 0.347089245712} H12 2643 -1 1 {} H 0.0 {0.62089670803 0.39314686676 0.325870556377} H13 2644 -1 1 {} H 0.0 {0.62165601776 0.409182819407 0.319914913639} H14 2645 -1 1 {} H 0.0 {0.599438690743 0.415010245136 0.299753207321} H20 2646 -1 1 {} H 0.0 {0.588663249974 0.413907794369 0.286465249411} H21 2647 -1 14 {} Si 0.0 {0.5498999261 0.749018730362 0.469008973317} Si1 2648 -1 8 {} O 0.0 {0.551565772027 0.736789517396 0.483113156092} O1 2649 -1 14 {} Si 0.0 {0.568516976075 0.738271464457 0.490636462579} Si2 2650 -1 8 {} O 0.0 {0.569821321265 0.729565377824 0.507076523735} O2 2651 -1 14 {} Si 0.0 {0.556203741035 0.717473456834 0.509956789495} Si3 2652 -1 7 {} N 0.0 {0.541127455318 0.726028351566 0.517902715831} N1 2653 -1 14 {} Si 0.0 {0.54420206833 0.744455301596 0.519850968641} Si4 2654 -1 14 {} Si 0.0 {0.539572287743 0.719256039738 0.535072470977} Si5 2655 -1 7 {} N 0.0 {0.52943727078 0.752502605467 0.527803619875} N2 2656 -1 7 {} N 0.0 {0.547013598984 0.752016943409 0.503227571524} N3 2657 -1 7 {} N 0.0 {0.521722674597 0.717911010008 0.539506123955} N5 2658 -1 7 {} N 0.0 {0.54724870375 0.702373477187 0.535841668223} N6 2659 -1 7 {} N 0.0 {0.548116372745 0.730573136172 0.547057369919} N7 2660 -1 8 {} O 0.0 {0.534350192736 0.74606229595 0.459781584125} O3 2661 -1 7 {} N 0.0 {0.562306904763 0.704321111415 0.521551354528} N8 2662 -1 8 {} O 0.0 {0.551386063138 0.709381799028 0.493993599843} O5 2663 -1 1 {} H 0.0 {0.578138916035 0.73279421131 0.48160359045} H2 2664 -1 1 {} H 0.0 {0.522978782566 0.744565644786 0.531080425876} H4 2665 -1 1 {} H 0.0 {0.547333649336 0.74403527708 0.496206678756} H5 2666 -1 1 {} H 0.0 {0.520264085119 0.723380818131 0.548532039803} H9 2667 -1 1 {} H 0.0 {0.520043258687 0.707608532275 0.541825886149} H10 2668 -1 1 {} H 0.0 {0.540632701093 0.695668768734 0.530829364304} H11 2669 -1 1 {} H 0.0 {0.54725140671 0.699482457258 0.546190764065} H12 2670 -1 1 {} H 0.0 {0.555778923414 0.72491321454 0.551815342789} H13 2671 -1 1 {} H 0.0 {0.540911791197 0.732989856795 0.554676379999} H14 2672 -1 1 {} H 0.0 {0.560594615131 0.741465564836 0.44815433088} H16 2673 -1 1 {} H 0.0 {0.572096849254 0.741128244608 0.461718788915} H17 2674 -1 1 {} H 0.0 {0.555074119599 0.696485025807 0.521518965712} H20 2675 -1 1 {} H 0.0 {0.562148992307 0.708601494939 0.531412950486} H21 2676 -1 1 {} H 0.0 {0.558083733464 0.701595595452 0.49184527923} H22 2677 -1 14 {} Si 0.0 {0.49984600216 0.682106961146 0.645444812229} Si1 2678 -1 8 {} O 0.0 {0.485236182078 0.676083231073 0.655380947442} O1 2679 -1 14 {} Si 0.0 {0.487220882502 0.678076731041 0.672685520749} Si2 2680 -1 8 {} O 0.0 {0.49661843968 0.677429401654 0.62811107418} O3 2681 -1 6 {} C 0.0 {0.516074614827 0.674079546488 0.651507277921} C1 2682 -1 8 {} O 0.0 {0.502251274846 0.700793569652 0.646142762937} O4 2683 -1 1 {} H 0.0 {0.486761314306 0.664785069329 0.678176648822} H2 2684 -1 1 {} H 0.0 {0.496150495967 0.68585589334 0.62227288534} H15 2685 -1 1 {} H 0.0 {0.517540041135 0.664447401711 0.646555015205} H16 2686 -1 1 {} H 0.0 {0.515548103887 0.672586388474 0.662286658606} H17 2687 -1 1 {} H 0.0 {0.524464168622 0.680628400413 0.649185297409} H18 2688 -1 14 {} Si 0.0 {0.360026857114 0.712113527705 0.492320671306} Si1 2689 -1 8 {} O 0.0 {0.373852875735 0.704725513461 0.482706568356} O1 2690 -1 14 {} Si 0.0 {0.369677982667 0.70483506165 0.464773624965} Si2 2691 -1 8 {} O 0.0 {0.376574560036 0.689761499302 0.45687029785} O2 2692 -1 14 {} Si 0.0 {0.380441666529 0.677376877354 0.46988638079} Si3 2693 -1 7 {} N 0.0 {0.370064161039 0.662174896426 0.467146779588} N1 2694 -1 14 {} Si 0.0 {0.352880753886 0.666651608844 0.472546673249} Si4 2695 -1 14 {} Si 0.0 {0.376365267913 0.648793885047 0.478533859233} Si5 2696 -1 7 {} N 0.0 {0.352582475223 0.684607064596 0.477069671267} N2 2697 -1 7 {} N 0.0 {0.347909701026 0.656613030316 0.487340566579} N3 2698 -1 7 {} N 0.0 {0.341014903952 0.663534656867 0.458592967217} N4 2699 -1 7 {} N 0.0 {0.364082854828 0.634839522528 0.479033998957} N5 2700 -1 7 {} N 0.0 {0.392353875463 0.642150084473 0.471875423116} N6 2701 -1 7 {} N 0.0 {0.379091273261 0.655926683781 0.495639744644} N7 2702 -1 8 {} O 0.0 {0.361203395497 0.706755242677 0.509887782154} O3 2703 -1 6 {} C 0.0 {0.343676437707 0.706400261921 0.485189683363} C1 2704 -1 7 {} N 0.0 {0.376564462464 0.684577574152 0.486601721937} N8 2705 -1 8 {} O 0.0 {0.398244974526 0.673053089859 0.469062413188} O5 2706 -1 1 {} H 0.0 {0.375313817634 0.716441160261 0.458629057916} H1 2707 -1 1 {} H 0.0 {0.355480403853 0.704998140755 0.463142856526} H2 2708 -1 1 {} H 0.0 {0.344678837146 0.685942211662 0.484038679651} H3 2709 -1 1 {} H 0.0 {0.34980856115 0.689965247348 0.468185471416} H4 2710 -1 1 {} H 0.0 {0.356497546817 0.651299792518 0.490570051741} H5 2711 -1 1 {} H 0.0 {0.34083608445 0.649280313362 0.483866081073} H6 2712 -1 1 {} H 0.0 {0.33606244503 0.672735862313 0.456545009493} H7 2713 -1 1 {} H 0.0 {0.333529213512 0.656795161854 0.46235784225} H8 2714 -1 1 {} H 0.0 {0.364254595027 0.630623028576 0.488781111257} H9 2715 -1 1 {} H 0.0 {0.36783653887 0.627251337796 0.472394119285} H10 2716 -1 1 {} H 0.0 {0.392417731755 0.644045237795 0.461418743179} H11 2717 -1 1 {} H 0.0 {0.391958689172 0.631494856825 0.472969849101} H12 2718 -1 1 {} H 0.0 {0.386304132812 0.649830106159 0.500521648334} H13 2719 -1 1 {} H 0.0 {0.36987020544 0.654770558946 0.501092453766} H14 2720 -1 1 {} H 0.0 {0.351879634705 0.703077325694 0.513047834386} H15 2721 -1 1 {} H 0.0 {0.339834561431 0.698170893902 0.491177503583} H16 2722 -1 1 {} H 0.0 {0.345130360892 0.703070521808 0.47495051521} H17 2723 -1 1 {} H 0.0 {0.385492642559 0.684118410833 0.492395264675} H20 2724 -1 1 {} H 0.0 {0.369528515563 0.677911283982 0.491281959789} H21 2725 -1 1 {} H 0.0 {0.402509899857 0.677501178573 0.460566638744} H22 2726 -1 1 {} H 0.0 {0.666638893075 0.543005890942 0.661077186429} H18 2727 -1 14 {} Si 0.0 {0.63910541516 0.418133492015 0.313295324993} Si5 2728 -1 7 {} N 0.0 {0.621502897248 0.424612740863 0.313369321359} N5 2729 -1 7 {} N 0.0 {0.642974451462 0.410823651211 0.329935939726} N7 2730 -1 1 {} H 0.0 {0.664328099674 0.435855750207 0.335341401733} H7 2731 -1 1 {} H 0.0 {0.617829003371 0.42376521755 0.323332087046} H9 2732 -1 1 {} H 0.0 {0.615688832157 0.417855295133 0.307347419472} H10 2733 -1 1 {} H 0.0 {0.643617443068 0.400287143667 0.328687804292} H13 2734 -1 1 {} H 0.0 {0.634401718871 0.412668443441 0.33617576406} H14 2735 -1 14 {} Si 0.0 {0.609832333513 0.722820515131 0.511990106091} Si5 2736 -1 7 {} N 0.0 {0.617940205019 0.707157529085 0.506157756601} N5 2737 -1 7 {} N 0.0 {0.595793864008 0.71835670552 0.523438538906} N6 2738 -1 7 {} N 0.0 {0.602459450104 0.731797969418 0.497417595673} N7 2739 -1 7 {} N 0.0 {0.605768070633 0.720231102113 0.543297290204} N8 2740 -1 1 {} H 0.0 {0.613853908934 0.704867490334 0.496581704457} H9 2741 -1 1 {} H 0.0 {0.614660858141 0.699352094154 0.51281878438} H10 2742 -1 1 {} H 0.0 {0.591751929877 0.709113537097 0.52003581745} H11 2743 -1 1 {} H 0.0 {0.588121796125 0.725788321316 0.521935064477} H12 2744 -1 1 {} H 0.0 {0.591958573635 0.73231269919 0.4990805761} H13 2745 -1 1 {} H 0.0 {0.603829002892 0.725442932081 0.488780579292} H14 2746 -1 1 {} H 0.0 {0.615083947442 0.720527914057 0.526881203898} H15 2747 -1 1 {} H 0.0 {0.615420318863 0.722420682454 0.496252799195} H16 2748 -1 1 {} H 0.0 {0.604668516014 0.712229779001 0.536338709125} H20 2749 -1 1 {} H 0.0 {0.598073703503 0.727384904212 0.540993305526} H21 2750 -1 1 {} H 0.0 {0.682980363941 0.389091781028 0.410543515506} H8 2751 -1 14 {} Si 0.0 {0.456747707133 0.659922595065 0.57309016093} Si1 2752 -1 8 {} O 0.0 {0.465939352685 0.664407041195 0.557753313589} O1 2753 -1 14 {} Si 0.0 {0.454586632455 0.672863790187 0.545936027726} Si2 2754 -1 8 {} O 0.0 {0.45908436268 0.66814379646 0.528677440273} O2 2755 -1 14 {} Si 0.0 {0.456998920905 0.649974110086 0.52670594138} Si3 2756 -1 7 {} N 0.0 {0.449393980203 0.646295816711 0.510159798281} N1 2757 -1 14 {} Si 0.0 {0.441049198259 0.661807215803 0.504149649085} Si4 2758 -1 14 {} Si 0.0 {0.436345301076 0.633171777406 0.512791806102} Si5 2759 -1 7 {} N 0.0 {0.422795730352 0.660840015513 0.507526227472} N2 2760 -1 7 {} N 0.0 {0.4439888338 0.663632668872 0.485870062243} N3 2761 -1 7 {} N 0.0 {0.448205549907 0.676537241839 0.51294994427} N4 2762 -1 7 {} N 0.0 {0.421405123086 0.636807297099 0.502485460733} N5 2763 -1 7 {} N 0.0 {0.443261527895 0.616680648059 0.507834721435} N6 2764 -1 7 {} N 0.0 {0.431401618616 0.632669452706 0.530678331889} N7 2765 -1 8 {} O 0.0 {0.468707495093 0.656842657913 0.586743916656} O3 2766 -1 6 {} C 0.0 {0.446680791786 0.644383640444 0.569982653225} C1 2767 -1 8 {} O 0.0 {0.445472373378 0.673681228495 0.577824594761} O4 2768 -1 7 {} N 0.0 {0.445921592434 0.643686687783 0.540309411446} N8 2769 -1 8 {} O 0.0 {0.473475339315 0.641712850161 0.527646101137} O5 2770 -1 1 {} H 0.0 {0.455763118643 0.687025317925 0.547473081542} H1 2771 -1 1 {} H 0.0 {0.441118324883 0.668886579215 0.548605751103} H2 2772 -1 1 {} H 0.0 {0.418414991543 0.669805744524 0.503779515609} H3 2773 -1 1 {} H 0.0 {0.421625855727 0.661103765615 0.518222553566} H4 2774 -1 1 {} H 0.0 {0.448648764775 0.654653687091 0.482505433241} H5 2775 -1 1 {} H 0.0 {0.451248699266 0.671475943212 0.48467639} H6 2776 -1 1 {} H 0.0 {0.440336192848 0.680984620417 0.518584206347} H7 2777 -1 1 {} H 0.0 {0.45091637787 0.683652163153 0.505333049443} H8 2778 -1 1 {} H 0.0 {0.413186769191 0.631783673694 0.507028542905} H9 2779 -1 1 {} H 0.0 {0.423010400797 0.63205107457 0.492970317529} H10 2780 -1 1 {} H 0.0 {0.448044122681 0.617973403334 0.49839468941} H11 2781 -1 1 {} H 0.0 {0.434853346154 0.610192133303 0.506142511464} H12 2782 -1 1 {} H 0.0 {0.43226808616 0.622546262396 0.533904717073} H13 2783 -1 1 {} H 0.0 {0.420932472745 0.635112451925 0.531050752496} H14 2784 -1 1 {} H 0.0 {0.471783749904 0.646805312981 0.58649491182} H15 2785 -1 1 {} H 0.0 {0.452124267303 0.635719610066 0.573734324496} H16 2786 -1 1 {} H 0.0 {0.444978176451 0.643251044897 0.559282683408} H17 2787 -1 1 {} H 0.0 {0.437105279645 0.645168740647 0.575123283595} H18 2788 -1 1 {} H 0.0 {0.441421235769 0.671756945274 0.587333335565} H19 2789 -1 1 {} H 0.0 {0.444603432221 0.633244652289 0.538809123099} H20 2790 -1 1 {} H 0.0 {0.436284639664 0.648252538767 0.538795604527} H21 2791 -1 1 {} H 0.0 {0.47467302393 0.637267993741 0.537051611606} H22 2792 -1 14 {} Si 0.0 {0.661102497884 0.54102259629 0.511806376429} Si1 2793 -1 8 {} O 0.0 {0.659971716852 0.557486307754 0.503743117373} O1 2794 -1 14 {} Si 0.0 {0.649060452926 0.556351246544 0.489038929532} Si2 2795 -1 8 {} O 0.0 {0.632529061518 0.563228630499 0.493177304946} O2 2796 -1 14 {} Si 0.0 {0.620369520321 0.549581364662 0.493134216476} Si3 2797 -1 7 {} N 0.0 {0.621487150688 0.540470183671 0.509478042218} N1 2798 -1 14 {} Si 0.0 {0.617335863426 0.522350524123 0.50728695488} Si4 2799 -1 14 {} Si 0.0 {0.608380252441 0.54760234483 0.520684920008} Si5 2800 -1 7 {} N 0.0 {0.628652171612 0.512342879069 0.51809087705} N2 2801 -1 7 {} N 0.0 {0.619422667905 0.516952056298 0.489672035236} N3 2802 -1 7 {} N 0.0 {0.599751130499 0.519424862544 0.51251259201} N4 2803 -1 7 {} N 0.0 {0.616320429853 0.554375355944 0.536056495034} N5 2804 -1 7 {} N 0.0 {0.599302907892 0.561243474397 0.511887459475} N6 2805 -1 7 {} N 0.0 {0.596338872467 0.534221875547 0.525352710725} N7 2806 -1 8 {} O 0.0 {0.66876569343 0.542859659229 0.528433805036} O3 2807 -1 6 {} C 0.0 {0.67167397813 0.52965279353 0.501233774271} C1 2808 -1 8 {} O 0.0 {0.644240097457 0.533870473285 0.513571529578} O4 2809 -1 7 {} N 0.0 {0.624173026427 0.538483603403 0.478752837187} N8 2810 -1 8 {} O 0.0 {0.60359083727 0.556524177669 0.491255508314} O5 2811 -1 1 {} H 0.0 {0.647677684714 0.542646158563 0.485208047926} H1 2812 -1 1 {} H 0.0 {0.654779346987 0.563766341545 0.478239307548} H2 2813 -1 1 {} H 0.0 {0.632351482154 0.504310019025 0.512197196359} H3 2814 -1 1 {} H 0.0 {0.6225213433 0.507959994438 0.525754886847} H4 2815 -1 1 {} H 0.0 {0.627313047349 0.522617482768 0.485529817409} H5 2816 -1 1 {} H 0.0 {0.610425681575 0.519792579722 0.484479160684} H6 2817 -1 1 {} H 0.0 {0.599971069534 0.516253546541 0.522680592442} H7 2818 -1 1 {} H 0.0 {0.596185389228 0.511054738823 0.50677199453} H8 2819 -1 1 {} H 0.0 {0.616312347371 0.546569510137 0.543309212379} H9 2820 -1 1 {} H 0.0 {0.609747399848 0.562031116032 0.539796661564} H10 2821 -1 1 {} H 0.0 {0.605185582588 0.570074442459 0.512825752978} H11 2822 -1 1 {} H 0.0 {0.590241801946 0.562997424294 0.517440498204} H12 2823 -1 1 {} H 0.0 {0.588258336916 0.534680711332 0.518419549958} H13 2824 -1 1 {} H 0.0 {0.592295291679 0.536916760644 0.534950181938} H14 2825 -1 1 {} H 0.0 {0.673015539434 0.533714728988 0.531345466481} H15 2826 -1 1 {} H 0.0 {0.682143067119 0.530773291708 0.504047272886} H16 2827 -1 1 {} H 0.0 {0.670434842941 0.532280357419 0.490725514385} H17 2828 -1 1 {} H 0.0 {0.66857587187 0.519323826867 0.502786383745} H18 2829 -1 1 {} H 0.0 {0.642769384277 0.526543316166 0.506197430986} H19 2830 -1 1 {} H 0.0 {0.617077141342 0.530679138368 0.478775401383} H20 2831 -1 1 {} H 0.0 {0.63377724451 0.534042485533 0.480711127248} H21 2832 -1 1 {} H 0.0 {0.603422027449 0.56627044841 0.495176861497} H22 2833 -1 14 {} Si 0.0 {0.53939039711 0.541696354387 0.533865296549} Si1 2834 -1 8 {} O 0.0 {0.532301051538 0.558191516395 0.529701728736} O1 2835 -1 14 {} Si 0.0 {0.539957746541 0.564716697242 0.514232544797} Si2 2836 -1 8 {} O 0.0 {0.543947295061 0.550844374621 0.502859437454} O2 2837 -1 14 {} Si 0.0 {0.558929809083 0.555083329686 0.49296930616} Si3 2838 -1 7 {} N 0.0 {0.559878807406 0.573563449555 0.490313075633} N1 2839 -1 14 {} Si 0.0 {0.543927076014 0.579301149352 0.482150254177} Si4 2840 -1 14 {} Si 0.0 {0.574118980012 0.576817993144 0.478509163462} Si5 2841 -1 7 {} N 0.0 {0.540862857279 0.597151282041 0.486422023196} N2 2842 -1 7 {} N 0.0 {0.529746832572 0.568955383478 0.488282117563} N3 2843 -1 7 {} N 0.0 {0.545103982103 0.577722377185 0.463676457544} N4 2844 -1 7 {} N 0.0 {0.572668230809 0.565853217432 0.46348487829} N5 2845 -1 7 {} N 0.0 {0.573864082866 0.594695372474 0.47321436991} N6 2846 -1 7 {} N 0.0 {0.59003537054 0.573012519916 0.486940467738} N7 2847 -1 8 {} O 0.0 {0.527805137595 0.532784970918 0.54510892919} O3 2848 -1 6 {} C 0.0 {0.555929755011 0.543883916735 0.54251811732} C1 2849 -1 8 {} O 0.0 {0.541787804426 0.531927934864 0.518435132481} O4 2850 -1 7 {} N 0.0 {0.558116887077 0.546453927263 0.476574883582} N8 2851 -1 8 {} O 0.0 {0.573950936253 0.549508062327 0.502024634038} O5 2852 -1 1 {} H 0.0 {0.551935242112 0.57180161797 0.517473353096} H1 2853 -1 1 {} H 0.0 {0.530780875923 0.573585588659 0.507798867935} H2 2854 -1 1 {} H 0.0 {0.533825476815 0.60092413474 0.47936537791} H3 2855 -1 1 {} H 0.0 {0.550048352589 0.602376783471 0.484615228126} H4 2856 -1 1 {} H 0.0 {0.533197857928 0.558895176252 0.488860213281} H5 2857 -1 1 {} H 0.0 {0.522220860104 0.569170227284 0.48058713896} H6 2858 -1 1 {} H 0.0 {0.547949472836 0.587275781834 0.459867345673} H7 2859 -1 1 {} H 0.0 {0.535118336027 0.575895651443 0.460106881603} H8 2860 -1 1 {} H 0.0 {0.581711839135 0.560241130591 0.462851245089} H9 2861 -1 1 {} H 0.0 {0.572499695922 0.572270521486 0.454790666241} H10 2862 -1 1 {} H 0.0 {0.563702565958 0.597257746114 0.471230265549} H11 2863 -1 1 {} H 0.0 {0.579042139622 0.595222531881 0.46377706228} H12 2864 -1 1 {} H 0.0 {0.597841728993 0.576965059838 0.480864111879} H13 2865 -1 1 {} H 0.0 {0.591026245646 0.562356233618 0.486625891351} H14 2866 -1 1 {} H 0.0 {0.533306713099 0.527649030329 0.552436118417} H15 2867 -1 1 {} H 0.0 {0.55446815938 0.543391250371 0.553311665646} H16 2868 -1 1 {} H 0.0 {0.560172739365 0.553554802025 0.539862804761} H17 2869 -1 1 {} H 0.0 {0.562733602385 0.535947388045 0.539412362151} H18 2870 -1 1 {} H 0.0 {0.552018038757 0.531619747122 0.516049515798} H19 2871 -1 1 {} H 0.0 {0.567331796317 0.54123565259 0.475301569212} H20 2872 -1 1 {} H 0.0 {0.557874079473 0.554146395815 0.469079530669} H21 2873 -1 1 {} H 0.0 {0.572944420103 0.53936822693 0.50454704289} H22 2874 -1 14 {} Si 0.0 {0.441801727366 0.506047948786 0.647371439067} Si1 2875 -1 8 {} O 0.0 {0.455764629841 0.515928098434 0.655120886384} O1 2876 -1 14 {} Si 0.0 {0.470533598497 0.517028447543 0.643786480724} Si2 2877 -1 8 {} O 0.0 {0.467730166238 0.530681614893 0.632048424325} O2 2878 -1 14 {} Si 0.0 {0.449926885451 0.530579863499 0.628791968016} Si3 2879 -1 7 {} N 0.0 {0.444789049905 0.512798149343 0.626815708309} N1 2880 -1 14 {} Si 0.0 {0.46058316188 0.502779226187 0.625726597387} Si4 2881 -1 14 {} Si 0.0 {0.436335557402 0.511277215091 0.610348386423} Si5 2882 -1 7 {} N 0.0 {0.475217149719 0.514486167834 0.62409036027} N2 2883 -1 7 {} N 0.0 {0.459675656462 0.491784118809 0.610893505955} N3 2884 -1 7 {} N 0.0 {0.46254374407 0.491942266921 0.640926071494} N4 2885 -1 7 {} N 0.0 {0.422556736938 0.498864359486 0.611608217724} N5 2886 -1 7 {} N 0.0 {0.429414923442 0.527772693323 0.605366593307} N6 2887 -1 7 {} N 0.0 {0.448642451333 0.505630892 0.597596045045} N7 2888 -1 8 {} O 0.0 {0.448283322921 0.494138377268 0.634890380479} O3 2889 -1 6 {} C 0.0 {0.429560953663 0.517454142889 0.638857617765} C1 2890 -1 8 {} O 0.0 {0.432958893053 0.496763167767 0.660603399101} O4 2891 -1 7 {} N 0.0 {0.445999904643 0.540233489989 0.613435401264} N8 2892 -1 8 {} O 0.0 {0.441327699074 0.537999958006 0.64317956656} O5 2893 -1 1 {} H 0.0 {0.471923992418 0.504850884501 0.636636265909} H1 2894 -1 1 {} H 0.0 {0.482438344373 0.51944062919 0.651362700428} H2 2895 -1 1 {} H 0.0 {0.479112300253 0.51336974993 0.614249411179} H3 2896 -1 1 {} H 0.0 {0.482901011845 0.510997190556 0.630815330334} H4 2897 -1 1 {} H 0.0 {0.449895846462 0.492795627929 0.606852710087} H5 2898 -1 1 {} H 0.0 {0.460378000107 0.4817473071 0.614576155904} H6 2899 -1 1 {} H 0.0 {0.454959136625 0.494649915087 0.647754934821} H7 2900 -1 1 {} H 0.0 {0.471878532682 0.494506046047 0.645556616644} H8 2901 -1 1 {} H 0.0 {0.424747531619 0.491005546778 0.604756347925} H9 2902 -1 1 {} H 0.0 {0.413684717088 0.503727055177 0.607959472806} H10 2903 -1 1 {} H 0.0 {0.42065905557 0.529414051884 0.611197687373} H11 2904 -1 1 {} H 0.0 {0.426164315924 0.526788567349 0.595159846501} H12 2905 -1 1 {} H 0.0 {0.449745691893 0.513526150343 0.590546530592} H13 2906 -1 1 {} H 0.0 {0.444086085926 0.497425458947 0.59232853324} H14 2907 -1 1 {} H 0.0 {0.441425465769 0.493277241414 0.626999278462} H15 2908 -1 1 {} H 0.0 {0.425983037311 0.512718280428 0.629712890485} H16 2909 -1 1 {} H 0.0 {0.434378219707 0.526798302304 0.636397020423} H17 2910 -1 1 {} H 0.0 {0.421143734346 0.519314937763 0.645484332314} H18 2911 -1 1 {} H 0.0 {0.427693939541 0.503523320545 0.666690175893} H19 2912 -1 1 {} H 0.0 {0.435737355378 0.543098763608 0.614067605112} H20 2913 -1 1 {} H 0.0 {0.44675695936 0.53337446334 0.60520924186} H21 2914 -1 1 {} H 0.0 {0.448424946873 0.540481481249 0.650523076536} H22 2915 -1 14 {} Si 0.0 {0.388130348488 0.617568477119 0.678641535226} Si2 2916 -1 8 {} O 0.0 {0.400964064515 0.619638349802 0.665594481945} O2 2917 -1 14 {} Si 0.0 {0.394704628867 0.612586949995 0.649777031689} Si3 2918 -1 7 {} N 0.0 {0.407285852235 0.6006316605 0.642672818825} N1 2919 -1 14 {} Si 0.0 {0.417476335026 0.609496386546 0.629714276485} Si4 2920 -1 14 {} Si 0.0 {0.397768868229 0.587342063837 0.63380245491} Si5 2921 -1 7 {} N 0.0 {0.43528726942 0.604045775877 0.631325477437} N2 2922 -1 7 {} N 0.0 {0.416665117475 0.627856003849 0.632453040781} N3 2923 -1 7 {} N 0.0 {0.410815944507 0.604974702149 0.612514182938} N4 2924 -1 7 {} N 0.0 {0.404395760384 0.5705386602 0.638331125725} N5 2925 -1 7 {} N 0.0 {0.379844296221 0.588499794884 0.638421122887} N6 2926 -1 7 {} N 0.0 {0.39953323701 0.589878816832 0.615646311741} N7 2927 -1 6 {} C 0.0 {0.367203675206 0.639001455478 0.660820254761} C1 2928 -1 7 {} N 0.0 {0.391437258528 0.626386613645 0.637789548873} N8 2929 -1 8 {} O 0.0 {0.379027969675 0.603542932461 0.653047070749} O5 2930 -1 1 {} H 0.0 {0.376454913114 0.611593634952 0.672935384513} H1 2931 -1 1 {} H 0.0 {0.393225955772 0.609143386918 0.688980439209} H2 2932 -1 1 {} H 0.0 {0.440328348286 0.611262406189 0.637322445463} H3 2933 -1 1 {} H 0.0 {0.439713505087 0.604546484442 0.621510320121} H4 2934 -1 1 {} H 0.0 {0.407883049924 0.631428260963 0.627705717562} H5 2935 -1 1 {} H 0.0 {0.42501777705 0.632104045309 0.62712473208} H6 2936 -1 1 {} H 0.0 {0.413884347574 0.595020328601 0.610415894018} H7 2937 -1 1 {} H 0.0 {0.415733655024 0.611235629068 0.60518252685} H8 2938 -1 1 {} H 0.0 {0.407263066109 0.565723627207 0.629270393266} H9 2939 -1 1 {} H 0.0 {0.396125347782 0.564931957103 0.642298880136} H10 2940 -1 1 {} H 0.0 {0.378099690446 0.581359483863 0.646109284319} H11 2941 -1 1 {} H 0.0 {0.374244283934 0.585219993024 0.629839195854} H12 2942 -1 1 {} H 0.0 {0.396746234152 0.599917857574 0.613713856216} H13 2943 -1 1 {} H 0.0 {0.392149827898 0.583669029156 0.610917908566} H14 2944 -1 1 {} H 0.0 {0.370600065435 0.629293757665 0.657222479485} H17 2945 -1 1 {} H 0.0 {0.373913922356 0.646777426035 0.657178458447} H18 2946 -1 1 {} H 0.0 {0.395463199342 0.62344759213 0.628410118096} H20 2947 -1 1 {} H 0.0 {0.39723405274 0.634827467225 0.641144985361} H21 2948 -1 1 {} H 0.0 {0.371534041491 0.60713240507 0.646652499984} H22 2949 -1 14 {} Si 0.0 {0.36995386524 0.435154568664 0.309126141218} Si1 2950 -1 8 {} O 0.0 {0.37425328279 0.431926253116 0.327807703849} O1 2951 -1 14 {} Si 0.0 {0.386737525227 0.444111185267 0.336243928003} Si2 2952 -1 8 {} O 0.0 {0.390294337766 0.458111003424 0.325515264142} O2 2953 -1 14 {} Si 0.0 {0.384949719482 0.452365939517 0.310051013755} Si3 2954 -1 7 {} N 0.0 {0.396860167482 0.457090451818 0.297209726125} N1 2955 -1 14 {} Si 0.0 {0.402002394329 0.441094266172 0.290436245588} Si4 2956 -1 14 {} Si 0.0 {0.411306606563 0.464329720389 0.30602505687} Si5 2957 -1 7 {} N 0.0 {0.387108707837 0.433427518785 0.282037395221} N2 2958 -1 7 {} N 0.0 {0.407486658825 0.430419316855 0.304669005038} N3 2959 -1 7 {} N 0.0 {0.415902244071 0.443296648577 0.278387319831} N4 2960 -1 7 {} N 0.0 {0.424711697806 0.451469707108 0.30747435108} N5 2961 -1 7 {} N 0.0 {0.417419571678 0.479075092201 0.296443031641} N6 2962 -1 7 {} N 0.0 {0.405954698087 0.46963750238 0.323086132569} N7 2963 -1 8 {} O 0.0 {0.357617668162 0.448554088454 0.307272016927} O3 2964 -1 6 {} C 0.0 {0.362530779496 0.419511173368 0.301965407433} C1 2965 -1 8 {} O 0.0 {0.385018686258 0.439518760165 0.299150200849} O4 2966 -1 7 {} N 0.0 {0.368245772921 0.459329639862 0.306224331507} N8 2967 -1 8 {} O 0.0 {0.384640883246 0.433808321199 0.311898404694} O5 2968 -1 1 {} H 0.0 {0.398820726317 0.437168984453 0.339249286057} H1 2969 -1 1 {} H 0.0 {0.381161900261 0.449402653117 0.348224782618} H2 2970 -1 1 {} H 0.0 {0.390013164936 0.424079309183 0.278084768611} H3 2971 -1 1 {} H 0.0 {0.384722649572 0.439700281582 0.273660037188} H4 2972 -1 1 {} H 0.0 {0.398987561704 0.42875726787 0.310761243759} H5 2973 -1 1 {} H 0.0 {0.414233043022 0.436386313124 0.310570834031} H6 2974 -1 1 {} H 0.0 {0.412265588241 0.449387995644 0.270476200116} H7 2975 -1 1 {} H 0.0 {0.417855290343 0.433616846659 0.274158455886} H8 2976 -1 1 {} H 0.0 {0.430650668748 0.454008050396 0.315956470841} H9 2977 -1 1 {} H 0.0 {0.431040287176 0.452571254654 0.298831166657} H10 2978 -1 1 {} H 0.0 {0.428031771198 0.478606087775 0.29623824133} H11 2979 -1 1 {} H 0.0 {0.414818030506 0.487790148826 0.302202172597} H12 2980 -1 1 {} H 0.0 {0.396631593449 0.474691861152 0.322052775618} H13 2981 -1 1 {} H 0.0 {0.41305339779 0.47697423312 0.326451375532} H14 2982 -1 1 {} H 0.0 {0.353467371828 0.448179494656 0.297622444929} H15 2983 -1 1 {} H 0.0 {0.353419474417 0.417005819209 0.30738844521} H16 2984 -1 1 {} H 0.0 {0.36967706562 0.411355108143 0.302885696452} H17 2985 -1 1 {} H 0.0 {0.390670206877 0.430816711408 0.297504623911} H19 2986 -1 1 {} H 0.0 {0.368456650963 0.462655095012 0.296121843045} H20 2987 -1 1 {} H 0.0 {0.367136485127 0.468140462632 0.312332248218} H21 2988 -1 1 {} H 0.0 {0.388358531706 0.431174631646 0.321379186929} H22 2989 -1 14 {} Si 0.0 {0.3701764256 0.578110230154 0.408656081316} Si1 2990 -1 8 {} O 0.0 {0.374569674848 0.59251407602 0.417934475656} O1 2991 -1 14 {} Si 0.0 {0.378520046522 0.603892932682 0.404483110427} Si2 2992 -1 8 {} O 0.0 {0.388551154783 0.594037019732 0.392020178294} O2 2993 -1 14 {} Si 0.0 {0.379067146443 0.580211497502 0.383800251638} Si3 2994 -1 7 {} N 0.0 {0.370989022299 0.568797258684 0.396559369578} N1 2995 -1 14 {} Si 0.0 {0.382251329188 0.56758868936 0.412113488128} Si4 2996 -1 14 {} Si 0.0 {0.37113938261 0.551968642686 0.389234926414} Si5 2997 -1 7 {} N 0.0 {0.372952946903 0.5724186135 0.427677928356} N2 2998 -1 7 {} N 0.0 {0.396173340887 0.579041260216 0.410252315854} N3 2999 -1 7 {} N 0.0 {0.388738287808 0.550252460839 0.413677824405} N4 3000 -1 7 {} N 0.0 {0.388139741779 0.54456078348 0.391074048302} N5 3001 -1 7 {} N 0.0 {0.358347877159 0.54139405335 0.398014222092} N6 3002 -1 7 {} N 0.0 {0.366564706252 0.55204755776 0.372284721323} N7 3003 -1 8 {} O 0.0 {0.384547417613 0.574156357095 0.397265680691} O3 3004 -1 6 {} C 0.0 {0.355392539025 0.583117439876 0.399195850865} C1 3005 -1 8 {} O 0.0 {0.36599044892 0.563547438336 0.41914647402} O4 3006 -1 7 {} N 0.0 {0.390347173639 0.569596820143 0.372935965628} N8 3007 -1 8 {} O 0.0 {0.366503432741 0.58768240053 0.373053731737} O5 3008 -1 1 {} H 0.0 {0.386303036836 0.614802747035 0.409517019035} H1 3009 -1 1 {} H 0.0 {0.366560163188 0.608815026171 0.398389863977} H2 3010 -1 1 {} H 0.0 {0.376906890938 0.581717304617 0.430985319221} H3 3011 -1 1 {} H 0.0 {0.37552935618 0.565145074125 0.435178892648} H4 3012 -1 1 {} H 0.0 {0.391990581769 0.588507386196 0.4092471351} H5 3013 -1 1 {} H 0.0 {0.400748050178 0.576682682793 0.400950381704} H6 3014 -1 1 {} H 0.0 {0.382960472521 0.545370409855 0.421148376447} H7 3015 -1 1 {} H 0.0 {0.398741351057 0.551048963996 0.417553461547} H8 3016 -1 1 {} H 0.0 {0.390377668136 0.539449721238 0.381993170471} H9 3017 -1 1 {} H 0.0 {0.387450317692 0.537057813326 0.3987274989} H10 3018 -1 1 {} H 0.0 {0.351834564612 0.548042906633 0.40325122719} H11 3019 -1 1 {} H 0.0 {0.363487886103 0.535468246431 0.405546140217} H12 3020 -1 1 {} H 0.0 {0.362965530013 0.542002402209 0.370836311416} H13 3021 -1 1 {} H 0.0 {0.375678975022 0.553073265977 0.366584743036} H14 3022 -1 1 {} H 0.0 {0.385778846016 0.563734581117 0.396441306943} H15 3023 -1 1 {} H 0.0 {0.353048864095 0.575862113328 0.391636533888} H16 3024 -1 1 {} H 0.0 {0.357210388621 0.592788025049 0.394492326411} H17 3025 -1 1 {} H 0.0 {0.347165722349 0.583943023817 0.406362705225} H18 3026 -1 1 {} H 0.0 {0.356174707773 0.564525128635 0.422644209668} H19 3027 -1 1 {} H 0.0 {0.399455228361 0.568106449654 0.378198672351} H20 3028 -1 1 {} H 0.0 {0.392751046087 0.575440349835 0.364165652413} H21 3029 -1 1 {} H 0.0 {0.371207196513 0.59411902238 0.366140210275} H22 3030 -1 14 {} Si 0.0 {0.555170088486 0.309499749748 0.403881109105} Si1 3031 -1 8 {} O 0.0 {0.561328763805 0.326864091698 0.402682465132} O1 3032 -1 14 {} Si 0.0 {0.576470117345 0.327574732379 0.392204410633} Si2 3033 -1 8 {} O 0.0 {0.57868641597 0.311623700208 0.38343185019} O2 3034 -1 14 {} Si 0.0 {0.572347630918 0.313310215327 0.36629271734} Si3 3035 -1 8 {} O 0.0 {0.554217905432 0.304599795566 0.421588151748} O3 3036 -1 6 {} C 0.0 {0.566830622668 0.297852848505 0.394812966059} C1 3037 -1 8 {} O 0.0 {0.538408916211 0.308424848662 0.396358119792} O4 3038 -1 7 {} N 0.0 {0.567077930266 0.330883332703 0.363307025803} N8 3039 -1 1 {} H 0.0 {0.587876206181 0.330105267417 0.400437398609} H1 3040 -1 1 {} H 0.0 {0.575107826835 0.338098912533 0.382615052362} H2 3041 -1 1 {} H 0.0 {0.562885595435 0.299286893167 0.424207202105} H15 3042 -1 1 {} H 0.0 {0.577079823508 0.299771046123 0.397969521725} H16 3043 -1 1 {} H 0.0 {0.565962214847 0.299466694328 0.384072752023} H17 3044 -1 1 {} H 0.0 {0.537935125024 0.314725789968 0.387974184252} H19 3045 -1 1 {} H 0.0 {0.565005787326 0.331829322011 0.352896243462} H20 3046 -1 1 {} H 0.0 {0.575663191021 0.3370544646 0.365288600008} H21 3047 -1 1 {} H 0.0 {0.551522981748 0.302920560993 0.37222326265} H22 3048 -1 8 {} O 0.0 {0.559845833391 0.663232890272 0.657318611713} O1 3049 -1 14 {} Si 0.0 {0.545053040992 0.65346204153 0.662354488322} Si2 3050 -1 8 {} O 0.0 {0.537817460416 0.644911533712 0.647735573664} O2 3051 -1 14 {} Si 0.0 {0.551214550379 0.639611635946 0.636352584571} Si3 3052 -1 7 {} N 0.0 {0.561312954923 0.626242896105 0.644374653145} N1 3053 -1 14 {} Si 0.0 {0.557755959661 0.610238937956 0.635466121646} Si4 3054 -1 14 {} Si 0.0 {0.555380181721 0.624268232304 0.661919030976} Si5 3055 -1 7 {} N 0.0 {0.569580225558 0.608342796236 0.621205159292} N2 3056 -1 7 {} N 0.0 {0.540323761917 0.610300480211 0.629111560589} N3 3057 -1 7 {} N 0.0 {0.55990880128 0.596018419331 0.647244788073} N4 3058 -1 7 {} N 0.0 {0.560389938578 0.607525256107 0.668296393069} N5 3059 -1 7 {} N 0.0 {0.563059340912 0.637435824081 0.672577637098} N6 3060 -1 7 {} N 0.0 {0.536864589409 0.625799868927 0.6624465486} N7 3061 -1 7 {} N 0.0 {0.562141165765 0.654159272223 0.632456746631} N8 3062 -1 8 {} O 0.0 {0.543836493094 0.633159610824 0.620788941853} O5 3063 -1 1 {} H 0.0 {0.535348656473 0.662206350517 0.667891660904} H1 3064 -1 1 {} H 0.0 {0.548803609847 0.643793394228 0.672155547497} H2 3065 -1 1 {} H 0.0 {0.56384022245 0.608837348292 0.612252385769} H3 3066 -1 1 {} H 0.0 {0.573529907926 0.598349104683 0.621755311229} H4 3067 -1 1 {} H 0.0 {0.533920084954 0.608790411279 0.637494554969} H5 3068 -1 1 {} H 0.0 {0.53930331413 0.60158332692 0.622877881989} H6 3069 -1 1 {} H 0.0 {0.557044942219 0.587157516631 0.642076560032} H7 3070 -1 1 {} H 0.0 {0.55273678146 0.597422058567 0.655133073038} H8 3071 -1 1 {} H 0.0 {0.561011938657 0.608243316784 0.67891162588} H9 3072 -1 1 {} H 0.0 {0.570395910517 0.605742692198 0.664761542672} H10 3073 -1 1 {} H 0.0 {0.572637884725 0.639639974108 0.668476231781} H11 3074 -1 1 {} H 0.0 {0.564797547589 0.632976822839 0.682220378842} H12 3075 -1 1 {} H 0.0 {0.534496908116 0.632905632572 0.670017837475} H13 3076 -1 1 {} H 0.0 {0.533086469901 0.616316487684 0.665857749215} H14 3077 -1 1 {} H 0.0 {0.570475354708 0.650475852856 0.626950893845} H20 3078 -1 1 {} H 0.0 {0.56600616174 0.657717964759 0.641838833671} H21 3079 -1 1 {} H 0.0 {0.533829330318 0.630503268718 0.622517119892} H22 3080 -1 14 {} Si 0.0 {0.44009922149 0.611606018948 0.431682424881} Si1 3081 -1 8 {} O 0.0 {0.423863151917 0.60253601844 0.432620743633} O1 3082 -1 14 {} Si 0.0 {0.41012121978 0.615345938235 0.430884036008} Si2 3083 -1 8 {} O 0.0 {0.409078917043 0.623520702657 0.413263594911} O2 3084 -1 14 {} Si 0.0 {0.412780946459 0.611168616632 0.399278640326} Si3 3085 -1 7 {} N 0.0 {0.431111496122 0.603441094291 0.401898592051} N1 3086 -1 14 {} Si 0.0 {0.442759366754 0.603093688356 0.385846027776} Si4 3087 -1 14 {} Si 0.0 {0.428516705983 0.586683555636 0.410861333514} Si5 3088 -1 7 {} N 0.0 {0.433897790215 0.609293268603 0.370323870791} N2 3089 -1 7 {} N 0.0 {0.450320550793 0.586589578412 0.382728687819} N3 3090 -1 7 {} N 0.0 {0.45579334042 0.615623839403 0.389442694478} N4 3091 -1 7 {} N 0.0 {0.443951848217 0.582166501033 0.420166764845} N5 3092 -1 7 {} N 0.0 {0.41457106305 0.588462770615 0.423416205317} N6 3093 -1 7 {} N 0.0 {0.424439973136 0.572833972829 0.397956157867} N7 3094 -1 8 {} O 0.0 {0.453034903625 0.602526998606 0.441158866212} O3 3095 -1 6 {} C 0.0 {0.437904398245 0.628601280986 0.438956118189} C1 3096 -1 8 {} O 0.0 {0.445343486271 0.613385466825 0.414050312486} O4 3097 -1 7 {} N 0.0 {0.410544075258 0.619343936842 0.381655471627} N8 3098 -1 8 {} O 0.0 {0.399783673723 0.598331018701 0.400743855418} O5 3099 -1 1 {} H 0.0 {0.412623326096 0.625689368731 0.440393268814} H1 3100 -1 1 {} H 0.0 {0.397671228704 0.609141855638 0.434222681977} H2 3101 -1 1 {} H 0.0 {0.440740150126 0.608345143609 0.36218035305} H3 3102 -1 1 {} H 0.0 {0.432196030466 0.619819581365 0.371462269622} H4 3103 -1 1 {} H 0.0 {0.451879454414 0.581862479747 0.391973825658} H5 3104 -1 1 {} H 0.0 {0.460024264079 0.58847848998 0.378448656224} H6 3105 -1 1 {} H 0.0 {0.454855870896 0.617753446199 0.399753432256} H7 3106 -1 1 {} H 0.0 {0.452956172144 0.624652498277 0.38435763309} H8 3107 -1 1 {} H 0.0 {0.445745253273 0.571852080774 0.418450886248} H9 3108 -1 1 {} H 0.0 {0.441650077918 0.58319265634 0.430646397723} H10 3109 -1 1 {} H 0.0 {0.418751100818 0.586665603903 0.433054965861} H11 3110 -1 1 {} H 0.0 {0.407591606207 0.580504920266 0.421638413383} H12 3111 -1 1 {} H 0.0 {0.414008656121 0.5705572296 0.398367519516} H13 3112 -1 1 {} H 0.0 {0.429680956953 0.563961143629 0.401189869214} H14 3113 -1 1 {} H 0.0 {0.448822618347 0.598474351785 0.449833848796} H15 3114 -1 1 {} H 0.0 {0.437164111737 0.635930620611 0.430901553726} H16 3115 -1 1 {} H 0.0 {0.446465806813 0.630968026998 0.445277802346} H17 3116 -1 1 {} H 0.0 {0.428784189021 0.628805941923 0.44490676356} H18 3117 -1 1 {} H 0.0 {0.44487256745 0.623514517709 0.411260775668} H19 3118 -1 1 {} H 0.0 {0.417547175377 0.627277083757 0.380778305114} H20 3119 -1 1 {} H 0.0 {0.400349297361 0.623573170889 0.380872761871} H21 3120 -1 1 {} H 0.0 {0.392638371054 0.601696595805 0.407169078233} H22 3121 -1 14 {} Si 0.0 {0.469426156934 0.749384248432 0.509727010373} Si1 3122 -1 7 {} N 0.0 {0.485771103382 0.261476768634 0.491507318539} N1 3123 -1 14 {} Si 0.0 {0.482463149244 0.278436675875 0.4848945622} Si4 3124 -1 7 {} N 0.0 {0.493793043276 0.290485433374 0.493229334413} N2 3125 -1 7 {} N 0.0 {0.464767835321 0.283104534964 0.488149332669} N3 3126 -1 7 {} N 0.0 {0.485666857859 0.278586028005 0.466569563492} N4 3127 -1 7 {} N 0.0 {0.513011405442 0.271304389808 0.483186614575} N6 3128 -1 8 {} O 0.0 {0.452265446003 0.750424973338 0.503221729172} O3 3129 -1 6 {} C 0.0 {0.469766847035 0.755380054094 0.527523120666} C1 3130 -1 8 {} O 0.0 {0.475235687488 0.731917432305 0.509031719815} O4 3131 -1 1 {} H 0.0 {0.470704842557 0.755651578283 0.47503464548} H2 3132 -1 1 {} H 0.0 {0.487702928408 0.297299476594 0.498686594784} H3 3133 -1 1 {} H 0.0 {0.498534102016 0.296136720361 0.485403839055} H4 3134 -1 1 {} H 0.0 {0.462070104514 0.278901414522 0.49754623277} H5 3135 -1 1 {} H 0.0 {0.45883434174 0.278056749727 0.480720503824} H6 3136 -1 1 {} H 0.0 {0.488097178297 0.288595902649 0.463859644841} H7 3137 -1 1 {} H 0.0 {0.476310016427 0.276293782003 0.461779205157} H8 3138 -1 1 {} H 0.0 {0.512406084591 0.276553568019 0.492444129492} H11 3139 -1 1 {} H 0.0 {0.508626970853 0.277728713243 0.475755769766} H12 3140 -1 1 {} H 0.0 {0.445741069193 0.753030889307 0.511023494182} H15 3141 -1 1 {} H 0.0 {0.462457640721 0.74982849315 0.533388393209} H16 3142 -1 1 {} H 0.0 {0.479727582928 0.753839572212 0.531702915915} H18 3143 -1 1 {} H 0.0 {0.475862216044 0.728835240555 0.49902583157} H19 3144 -1 14 {} Si 0.0 {0.376766286964 0.619579117111 0.319680422381} Si1 3145 -1 8 {} O 0.0 {0.363804652153 0.625190584543 0.307575872169} O1 3146 -1 8 {} O 0.0 {0.389473715393 0.609722899117 0.310774284203} O3 3147 -1 6 {} C 0.0 {0.369091606393 0.608879264888 0.333300991909} C1 3148 -1 8 {} O 0.0 {0.384700022359 0.634285001321 0.327347810218} O4 3149 -1 1 {} H 0.0 {0.357086602478 0.641446163766 0.327978741205} H1 3150 -1 1 {} H 0.0 {0.385312974786 0.60053718659 0.307823230593} H15 3151 -1 1 {} H 0.0 {0.376344371203 0.601428670236 0.336558850685} H16 3152 -1 1 {} H 0.0 {0.360253780318 0.603838096211 0.32952627562} H17 3153 -1 1 {} H 0.0 {0.366352784058 0.61517753869 0.341770122369} H18 3154 -1 1 {} H 0.0 {0.393071698172 0.631227101966 0.332893663028} H19 3155 -1 7 {} N 0.0 {0.630630707599 0.425089151342 0.666419271148} N2 3156 -1 7 {} N 0.0 {0.621753726244 0.396148301029 0.667269251932} N3 3157 -1 8 {} O 0.0 {0.637863678664 0.406454838355 0.660978751614} O3 3158 -1 1 {} H 0.0 {0.627107062055 0.422486765172 0.656699552708} H3 3159 -1 1 {} H 0.0 {0.64086846323 0.428183152037 0.665228927582} H4 3160 -1 1 {} H 0.0 {0.624504073944 0.397034648338 0.656913134522} H6 3161 -1 1 {} H 0.0 {0.637862632557 0.409876450589 0.651051197908} H15 3162 -1 1 {} H 0.0 {0.592621019474 0.409665950259 0.691836340273} H22 3163 -1 14 {} Si 0.0 {0.532775158026 0.561014405177 0.412293029354} Si1 3164 -1 8 {} O 0.0 {0.521466454238 0.549288334635 0.420739406617} O1 3165 -1 14 {} Si 0.0 {0.512413142018 0.558242132953 0.433922021592} Si2 3166 -1 8 {} O 0.0 {0.524498432606 0.565663272752 0.445673305582} O2 3167 -1 14 {} Si 0.0 {0.534582930734 0.578472786239 0.437039964732} Si3 3168 -1 7 {} N 0.0 {0.552607852488 0.573664856906 0.437475121044} N1 3169 -1 14 {} Si 0.0 {0.555680148308 0.55995513467 0.425250338311} Si4 3170 -1 14 {} Si 0.0 {0.555874383932 0.567112560637 0.454323473637} Si5 3171 -1 7 {} N 0.0 {0.542158078637 0.547214598725 0.426591105591} N2 3172 -1 7 {} N 0.0 {0.572043489845 0.551888237282 0.428906408293} N3 3173 -1 7 {} N 0.0 {0.556147359145 0.56729906364 0.408088515443} N4 3174 -1 7 {} N 0.0 {0.540138260255 0.560096731642 0.461437404878} N5 3175 -1 7 {} N 0.0 {0.568925661568 0.553734826195 0.453443268213} N6 3176 -1 7 {} N 0.0 {0.561551839608 0.581396345672 0.46479850657} N7 3177 -1 8 {} O 0.0 {0.523044193959 0.572495767898 0.401781388997} O3 3178 -1 6 {} C 0.0 {0.54488530198 0.551487429869 0.401732475188} C1 3179 -1 8 {} O 0.0 {0.542136598679 0.570611715733 0.424800487044} O4 3180 -1 7 {} N 0.0 {0.53256964876 0.59473996281 0.445726776804} N8 3181 -1 8 {} O 0.0 {0.529042125134 0.580108787063 0.419557412931} O5 3182 -1 1 {} H 0.0 {0.503923980893 0.549118615708 0.4409235288} H1 3183 -1 1 {} H 0.0 {0.504488750333 0.568563813581 0.428035484272} H2 3184 -1 1 {} H 0.0 {0.538927214964 0.544911132784 0.416730798097} H3 3185 -1 1 {} H 0.0 {0.533882768346 0.552000861643 0.431520463732} H4 3186 -1 1 {} H 0.0 {0.577184003402 0.558135223436 0.435821820072} H5 3187 -1 1 {} H 0.0 {0.577711539004 0.552125098817 0.41975645766} H6 3188 -1 1 {} H 0.0 {0.546148736688 0.567880190038 0.404566883414} H7 3189 -1 1 {} H 0.0 {0.56126051455 0.560246673154 0.401779919713} H8 3190 -1 1 {} H 0.0 {0.542828985866 0.553915369575 0.469678186644} H9 3191 -1 1 {} H 0.0 {0.535994369348 0.553594507426 0.453955794006} H10 3192 -1 1 {} H 0.0 {0.564630341826 0.545489879163 0.448243012424} H11 3193 -1 1 {} H 0.0 {0.570684710699 0.550369754023 0.463508377707} H12 3194 -1 1 {} H 0.0 {0.572121100811 0.58203575036 0.464021268412} H13 3195 -1 1 {} H 0.0 {0.559245427313 0.578885232575 0.474935584801} H14 3196 -1 1 {} H 0.0 {0.528246774746 0.574281697579 0.392860483197} H15 3197 -1 1 {} H 0.0 {0.547400658757 0.557320421887 0.392869528187} H16 3198 -1 1 {} H 0.0 {0.540451867999 0.542004316983 0.398728292405} H17 3199 -1 1 {} H 0.0 {0.553871919891 0.549640137316 0.407539646138} H18 3200 -1 1 {} H 0.0 {0.548760413191 0.577177632112 0.419970651657} H19 3201 -1 1 {} H 0.0 {0.542321382956 0.598945962164 0.446813277697} H20 3202 -1 1 {} H 0.0 {0.529079751278 0.592526541976 0.455659287094} H21 3203 -1 1 {} H 0.0 {0.518576493383 0.580189801307 0.419202721474} H22 3204 -1 14 {} Si 0.0 {0.624208712408 0.348715857323 0.588787434785} Si1 3205 -1 8 {} O 0.0 {0.606345502638 0.346262442804 0.585632305406} O1 3206 -1 14 {} Si 0.0 {0.597819774604 0.362495885453 0.586242803764} Si2 3207 -1 8 {} O 0.0 {0.59207651773 0.366780112812 0.569445095455} O2 3208 -1 14 {} Si 0.0 {0.596033291482 0.352725192848 0.558395983681} Si3 3209 -1 7 {} N 0.0 {0.589743660894 0.35594721762 0.54113572838} N1 3210 -1 14 {} Si 0.0 {0.601020455833 0.368616074796 0.533080777252} Si4 3211 -1 14 {} Si 0.0 {0.572258780493 0.363356138745 0.541876903229} Si5 3212 -1 7 {} N 0.0 {0.615580680496 0.371887141044 0.544148033119} N2 3213 -1 7 {} N 0.0 {0.591830807883 0.384616163793 0.530272037093} N3 3214 -1 7 {} N 0.0 {0.606903012986 0.361923721219 0.516667397234} N4 3215 -1 7 {} N 0.0 {0.560638969549 0.350381993449 0.549045692366} N5 3216 -1 7 {} N 0.0 {0.571928717889 0.38142888221 0.55306339494} N6 3217 -1 7 {} N 0.0 {0.567203978574 0.366780799544 0.52455270772} N7 3218 -1 8 {} O 0.0 {0.632152836995 0.356167309843 0.573932457059} O3 3219 -1 8 {} O 0.0 {0.626379643451 0.359908806627 0.60318842582} O4 3220 -1 7 {} N 0.0 {0.588390594544 0.337167053852 0.565214674506} N8 3221 -1 8 {} O 0.0 {0.614244714916 0.350529337174 0.557759386871} O5 3222 -1 1 {} H 0.0 {0.606872381577 0.372510444877 0.590946970122} H1 3223 -1 1 {} H 0.0 {0.586643872004 0.361623303675 0.594982797021} H2 3224 -1 1 {} H 0.0 {0.611744784594 0.373683679984 0.553932963817} H3 3225 -1 1 {} H 0.0 {0.619942277134 0.381154765737 0.540841419394} H4 3226 -1 1 {} H 0.0 {0.594049301887 0.387833326233 0.520344559013} H5 3227 -1 1 {} H 0.0 {0.596195067967 0.391893546804 0.536882230257} H6 3228 -1 1 {} H 0.0 {0.616908443222 0.365260550887 0.515223686928} H7 3229 -1 1 {} H 0.0 {0.600958473884 0.366694583357 0.50907425942} H8 3230 -1 1 {} H 0.0 {0.551763783066 0.355347386114 0.552392166005} H9 3231 -1 1 {} H 0.0 {0.565476789762 0.346396462385 0.55779343387} H10 3232 -1 1 {} H 0.0 {0.581181939428 0.382563829149 0.558542871689} H11 3233 -1 1 {} H 0.0 {0.564040725134 0.380849532758 0.560643228684} H12 3234 -1 1 {} H 0.0 {0.568483291474 0.377248804141 0.522701085415} H13 3235 -1 1 {} H 0.0 {0.556767266108 0.364786523058 0.523995397038} H14 3236 -1 1 {} H 0.0 {0.628772898903 0.366026656036 0.572724209495} H15 3237 -1 1 {} H 0.0 {0.628343145913 0.354181432242 0.611759409717} H19 3238 -1 1 {} H 0.0 {0.589706705263 0.329522183341 0.557921814054} H20 3239 -1 1 {} H 0.0 {0.577815882232 0.338947896527 0.565947470116} H21 3240 -1 1 {} H 0.0 {0.616707479497 0.344214077527 0.549727608847} H22 3241 -1 14 {} Si 0.0 {0.366541965398 0.388657836837 0.636393428736} Si1 3242 -1 8 {} O 0.0 {0.360488388083 0.374578606511 0.625955799168} O1 3243 -1 14 {} Si 0.0 {0.359861486445 0.379737240509 0.608179109227} Si2 3244 -1 8 {} O 0.0 {0.361575894165 0.36489487374 0.59727408516} O2 3245 -1 14 {} Si 0.0 {0.37003488091 0.351597583449 0.606630951925} Si3 3246 -1 7 {} N 0.0 {0.366636603948 0.33486390955 0.598975859222} N1 3247 -1 14 {} Si 0.0 {0.381611401465 0.324494648292 0.602122353094} Si4 3248 -1 14 {} Si 0.0 {0.365626512433 0.336709429461 0.580511583832} Si5 3249 -1 7 {} N 0.0 {0.383800324782 0.312508203395 0.58807670046} N2 3250 -1 7 {} N 0.0 {0.396543219128 0.335510616613 0.603261949016} N4 3251 -1 7 {} N 0.0 {0.372941930401 0.321537532118 0.572574946328} N5 3252 -1 7 {} N 0.0 {0.34786481923 0.338351277171 0.575276005711} N6 3253 -1 7 {} N 0.0 {0.375243856799 0.351645343255 0.575178430594} N7 3254 -1 8 {} O 0.0 {0.382544641104 0.383967129217 0.644135846806} O3 3255 -1 6 {} C 0.0 {0.353981978346 0.392556602458 0.65014090588} C1 3256 -1 8 {} O 0.0 {0.368987487065 0.403528384629 0.625715708272} O4 3257 -1 7 {} N 0.0 {0.363723522344 0.351704342535 0.624083828162} N8 3258 -1 8 {} O 0.0 {0.388170993192 0.354727666984 0.60669954355} O5 3259 -1 1 {} H 0.0 {0.370544936464 0.388879025356 0.605506058246} H1 3260 -1 1 {} H 0.0 {0.347334542061 0.386132121558 0.605530270093} H2 3261 -1 1 {} H 0.0 {0.393277151203 0.314792571844 0.583517049166} H4 3262 -1 1 {} H 0.0 {0.401739603026 0.334760906589 0.593987767211} H7 3263 -1 1 {} H 0.0 {0.402974245635 0.331228484991 0.610733910374} H8 3264 -1 1 {} H 0.0 {0.380958139892 0.324761160694 0.566348142748} H9 3265 -1 1 {} H 0.0 {0.365395973103 0.317519678532 0.566035442071} H10 3266 -1 1 {} H 0.0 {0.341993827925 0.332859587023 0.582271463319} H11 3267 -1 1 {} H 0.0 {0.346960335056 0.333216205188 0.565846348292} H12 3268 -1 1 {} H 0.0 {0.382424600753 0.348382523297 0.568011373054} H13 3269 -1 1 {} H 0.0 {0.380781275506 0.354978001692 0.583761731258} H14 3270 -1 1 {} H 0.0 {0.381055037248 0.38216928406 0.654377318177} H15 3271 -1 1 {} H 0.0 {0.356675774372 0.401945930713 0.65499335894} H16 3272 -1 1 {} H 0.0 {0.343990029684 0.393447457687 0.645924994953} H18 3273 -1 1 {} H 0.0 {0.370292704833 0.412052396013 0.631749589346} H19 3274 -1 1 {} H 0.0 {0.354482895894 0.357230739178 0.623964929543} H21 3275 -1 1 {} H 0.0 {0.390516727118 0.361845035192 0.599349709002} H22 3276 -1 8 {} O 0.0 {0.352792483391 0.597081273386 0.67191147348} O3 3277 -1 8 {} O 0.0 {0.336647988893 0.605130048369 0.647847788329} O4 3278 -1 1 {} H 0.0 {0.35870024949 0.601884873521 0.679134473129} H15 3279 -1 1 {} H 0.0 {0.334579949459 0.614079219915 0.642750347131} H19 3280 -1 14 {} Si 0.0 {0.469597583273 0.362821671571 0.506884327889} Si1 3281 -1 8 {} O 0.0 {0.472449155949 0.3475232501 0.496869466067} O1 3282 -1 14 {} Si 0.0 {0.462297389418 0.347738744155 0.481339678585} Si2 3283 -1 8 {} O 0.0 {0.455470881261 0.330693108536 0.478270223505} O2 3284 -1 14 {} Si 0.0 {0.445400136529 0.330173463555 0.462644268108} Si3 3285 -1 7 {} N 0.0 {0.452239449756 0.316982981501 0.451058286661} N1 3286 -1 14 {} Si 0.0 {0.444058210664 0.318901825056 0.43443972761} Si4 3287 -1 14 {} Si 0.0 {0.447408398522 0.299980661493 0.457349402692} Si5 3288 -1 7 {} N 0.0 {0.439103594057 0.302125114603 0.428074332454} N2 3289 -1 7 {} N 0.0 {0.45605093868 0.326623066587 0.422618139938} N3 3290 -1 7 {} N 0.0 {0.428962754626 0.329644450384 0.435916056057} N4 3291 -1 7 {} N 0.0 {0.46055076386 0.287817861519 0.452459336634} N5 3292 -1 7 {} N 0.0 {0.445983831577 0.300067236108 0.475847395265} N6 3293 -1 7 {} N 0.0 {0.431193575489 0.294805702577 0.449743452615} N7 3294 -1 8 {} O 0.0 {0.452646705779 0.362506867782 0.514047023139} O3 3295 -1 6 {} C 0.0 {0.471515227047 0.378020839933 0.496029558536} C1 3296 -1 8 {} O 0.0 {0.481955579207 0.363527830558 0.520537829122} O4 3297 -1 7 {} N 0.0 {0.446170990319 0.346754980633 0.454258209512} N8 3298 -1 8 {} O 0.0 {0.427900335949 0.32627902327 0.466779812619} O5 3299 -1 1 {} H 0.0 {0.47058671943 0.351577115155 0.4703705654} H1 3300 -1 1 {} H 0.0 {0.451589000847 0.357123388584 0.482712499111} H2 3301 -1 1 {} H 0.0 {0.439891319457 0.302409961071 0.417451029934} H3 3302 -1 1 {} H 0.0 {0.428653640826 0.300918762336 0.430339019683} H4 3303 -1 1 {} H 0.0 {0.465143334267 0.321101324928 0.423343136053} H5 3304 -1 1 {} H 0.0 {0.45814566365 0.33648057169 0.426372266191} H6 3305 -1 1 {} H 0.0 {0.420468019941 0.323201712524 0.43559831942} H7 3306 -1 1 {} H 0.0 {0.428575382977 0.335643516035 0.426981897557} H8 3307 -1 1 {} H 0.0 {0.457583666791 0.278292470842 0.456203836975} H9 3308 -1 1 {} H 0.0 {0.46944372409 0.290590481447 0.457844002368} H10 3309 -1 1 {} H 0.0 {0.455852364423 0.299380900995 0.47979725895} H11 3310 -1 1 {} H 0.0 {0.440996539735 0.290990573482 0.47851775987} H12 3311 -1 1 {} H 0.0 {0.42376358501 0.295371513167 0.457328567406} H13 3312 -1 1 {} H 0.0 {0.43217433458 0.284388042985 0.44720017947} H14 3313 -1 1 {} H 0.0 {0.448473824352 0.372138615913 0.513556181764} H15 3314 -1 1 {} H 0.0 {0.46352970628 0.38510209328 0.498259875331} H16 3315 -1 1 {} H 0.0 {0.470965868829 0.375099301165 0.485558645598} H17 3316 -1 1 {} H 0.0 {0.481167204456 0.382696036195 0.498005163943} H18 3317 -1 1 {} H 0.0 {0.488043149745 0.372007363837 0.51931591627} H19 3318 -1 1 {} H 0.0 {0.448259183411 0.344994178859 0.443961593558} H20 3319 -1 1 {} H 0.0 {0.45473872298 0.351860276443 0.458292621965} H21 3320 -1 1 {} H 0.0 {0.421919854848 0.327577079993 0.45825424996} H22 3321 -1 14 {} Si 0.0 {0.405200346642 0.532127037884 0.717126090586} Si2 3322 -1 8 {} O 0.0 {0.419536578477 0.520307590936 0.717839679503} O2 3323 -1 14 {} Si 0.0 {0.450779196678 0.520637636264 0.728227694461} Si5 3324 -1 7 {} N 0.0 {0.45644472423 0.508579897243 0.715264832987} N5 3325 -1 7 {} N 0.0 {0.441712521843 0.534477205801 0.71979505514} N6 3326 -1 7 {} N 0.0 {0.465536010556 0.527506395557 0.737030654375} N7 3327 -1 1 {} H 0.0 {0.410167774258 0.545521848477 0.716124864458} H1 3328 -1 1 {} H 0.0 {0.397116749571 0.529208658597 0.705709179245} H2 3329 -1 1 {} H 0.0 {0.46687716456 0.510212897742 0.713779142662} H9 3330 -1 1 {} H 0.0 {0.451575240911 0.51140009474 0.706086646723} H10 3331 -1 1 {} H 0.0 {0.432514321325 0.530500998942 0.716203168939} H11 3332 -1 1 {} H 0.0 {0.447497616416 0.537106865687 0.711103345045} H12 3333 -1 1 {} H 0.0 {0.465615308435 0.538014731023 0.735207179984} H13 3334 -1 1 {} H 0.0 {0.4741726329 0.523526253897 0.732060413842} H14 3335 -1 14 {} Si 0.0 {0.352678963099 0.482990167699 0.596614150414} Si1 3336 -1 8 {} O 0.0 {0.340156764613 0.483290011301 0.583393435065} O1 3337 -1 14 {} Si 0.0 {0.342169573193 0.468175092916 0.573372648266} Si2 3338 -1 8 {} O 0.0 {0.330300543655 0.455655018939 0.579295356869} O2 3339 -1 14 {} Si 0.0 {0.315128928008 0.45747194254 0.569325478084} Si3 3340 -1 7 {} N 0.0 {0.300402479756 0.459702085931 0.580826760051} N1 3341 -1 14 {} Si 0.0 {0.300572095622 0.446410064569 0.593982518394} Si4 3342 -1 14 {} Si 0.0 {0.284988867113 0.457609809211 0.570725162644} Si5 3343 -1 7 {} N 0.0 {0.301669943478 0.429813331146 0.585980988836} N2 3344 -1 7 {} N 0.0 {0.284930908177 0.447309314964 0.603999271041} N3 3345 -1 7 {} N 0.0 {0.315223921764 0.448809419477 0.605236281488} N4 3346 -1 7 {} N 0.0 {0.278745287909 0.440179998756 0.572363654628} N5 3347 -1 7 {} N 0.0 {0.272003938279 0.469364473976 0.576884967879} N6 3348 -1 7 {} N 0.0 {0.28878919988 0.461430564439 0.552884702244} N7 3349 -1 8 {} O 0.0 {0.347656464976 0.49437471279 0.610148424743} O3 3350 -1 6 {} C 0.0 {0.369054015494 0.488403263962 0.589397113102} C1 3351 -1 8 {} O 0.0 {0.354241127017 0.465868024876 0.603161886354} O4 3352 -1 7 {} N 0.0 {0.313193496573 0.442522421993 0.557929530445} N8 3353 -1 8 {} O 0.0 {0.31672108124 0.472555394834 0.55894289833} O5 3354 -1 1 {} H 0.0 {0.355507466107 0.463220910559 0.57472541463} H1 3355 -1 1 {} H 0.0 {0.339514597143 0.47114939988 0.559630508901} H2 3356 -1 1 {} H 0.0 {0.291746780139 0.426435959828 0.584206497478} H3 3357 -1 1 {} H 0.0 {0.305821486476 0.423349622583 0.593130671164} H4 3358 -1 1 {} H 0.0 {0.281986723659 0.457525448878 0.604353927493} H5 3359 -1 1 {} H 0.0 {0.287549398719 0.444516885601 0.614068173082} H6 3360 -1 1 {} H 0.0 {0.312892679497 0.44407910719 0.614511685307} H7 3361 -1 1 {} H 0.0 {0.315886520647 0.459332772677 0.607250398511} H8 3362 -1 1 {} H 0.0 {0.268162943936 0.440543259491 0.57131493042} H9 3363 -1 1 {} H 0.0 {0.280693741854 0.437155502326 0.582498791249} H10 3364 -1 1 {} H 0.0 {0.27133729191 0.468075581652 0.587440923977} H11 3365 -1 1 {} H 0.0 {0.262638312244 0.466018082809 0.57279362231} H12 3366 -1 1 {} H 0.0 {0.27955496969 0.463587029026 0.548077433602} H13 3367 -1 1 {} H 0.0 {0.29250726168 0.452378324999 0.548455922604} H14 3368 -1 1 {} H 0.0 {0.33716801537 0.494897110586 0.610542853625} H15 3369 -1 1 {} H 0.0 {0.368894213064 0.499125342923 0.58779539441} H16 3370 -1 1 {} H 0.0 {0.370660588539 0.483341705742 0.579865420609} H17 3371 -1 1 {} H 0.0 {0.37707616365 0.485839965036 0.596273375021} H18 3372 -1 1 {} H 0.0 {0.360221683868 0.460181053161 0.59665278031} H19 3373 -1 1 {} H 0.0 {0.322959095928 0.439005903408 0.555487209612} H20 3374 -1 1 {} H 0.0 {0.30889364427 0.446167495875 0.54876258749} H21 3375 -1 1 {} H 0.0 {0.322685381326 0.47041201019 0.55058272993} H22 3376 -1 8 {} O 0.0 {0.455890099361 0.555547323003 0.724131075703} O2 3377 -1 7 {} N 0.0 {0.485707827548 0.551207256255 0.734780741928} N1 3378 -1 14 {} Si 0.0 {0.487252136655 0.550256416934 0.716126292954} Si5 3379 -1 7 {} N 0.0 {0.508098882681 0.570871973721 0.727410646889} N4 3380 -1 7 {} N 0.0 {0.498497615088 0.536147368603 0.711660883955} N5 3381 -1 7 {} N 0.0 {0.470592982367 0.54744303528 0.708482755108} N6 3382 -1 7 {} N 0.0 {0.494535207789 0.566066370268 0.709555193581} N7 3383 -1 1 {} H 0.0 {0.432771827809 0.569087744968 0.716210496334} H1 3384 -1 1 {} H 0.0 {0.502480394027 0.577120109679 0.720684272492} H8 3385 -1 1 {} H 0.0 {0.49568156646 0.532794954185 0.701991461471} H9 3386 -1 1 {} H 0.0 {0.496262613848 0.528141208097 0.718465747648} H10 3387 -1 1 {} H 0.0 {0.468218766755 0.537138886453 0.709802795653} H11 3388 -1 1 {} H 0.0 {0.471793966811 0.548976619229 0.697893921133} H12 3389 -1 1 {} H 0.0 {0.492963413514 0.56611781578 0.69900969124} H13 3390 -1 1 {} H 0.0 {0.505168473544 0.56541295818 0.711035081306} H14 3391 -1 7 {} N 0.0 {0.546347422658 0.715668327102 0.358928606354} N6 3392 -1 1 {} H 0.0 {0.529545194616 0.722390309585 0.381104693527} H13 3393 -1 1 {} H 0.0 {0.515898445702 0.729944114835 0.374045347229} H14 3394 -1 14 {} Si 0.0 {0.443392265014 0.538864731726 0.422756544003} Si1 3395 -1 8 {} O 0.0 {0.436560510335 0.541649281725 0.405904280611} O1 3396 -1 14 {} Si 0.0 {0.419063840894 0.547087993725 0.407262886606} Si2 3397 -1 8 {} O 0.0 {0.410720253538 0.537589455381 0.420488134907} O2 3398 -1 14 {} Si 0.0 {0.41838643897 0.521023495524 0.421706069353} Si3 3399 -1 7 {} N 0.0 {0.414317650581 0.513592508639 0.438183914457} N1 3400 -1 14 {} Si 0.0 {0.413285190875 0.527200508009 0.45087875674} Si4 3401 -1 14 {} Si 0.0 {0.42851324783 0.503016738272 0.443153550559} Si5 3402 -1 7 {} N 0.0 {0.408912850823 0.543309849427 0.442677980028} N2 3403 -1 7 {} N 0.0 {0.42960829278 0.528876438573 0.459603922123} N3 3404 -1 7 {} N 0.0 {0.400364326029 0.522739455961 0.463392057804} N4 3405 -1 7 {} N 0.0 {0.442251423573 0.513732428009 0.449678587516} N5 3406 -1 7 {} N 0.0 {0.422751041375 0.491646860207 0.456425919829} N6 3407 -1 7 {} N 0.0 {0.434579456613 0.493198099639 0.428596777527} N7 3408 -1 8 {} O 0.0 {0.430461970475 0.531400150418 0.433481407669} O3 3409 -1 6 {} C 0.0 {0.448772493397 0.555191104781 0.430146929851} C1 3410 -1 8 {} O 0.0 {0.457840999556 0.52753614972 0.421708276365} O4 3411 -1 7 {} N 0.0 {0.436827874796 0.52244041501 0.419893619334} N8 3412 -1 8 {} O 0.0 {0.411791896906 0.510256339843 0.408325344958} O5 3413 -1 1 {} H 0.0 {0.41236363483 0.544890579188 0.394816266124} H1 3414 -1 1 {} H 0.0 {0.41867116839 0.560879924176 0.410523043538} H2 3415 -1 1 {} H 0.0 {0.417601977688 0.549460237915 0.442975253062} H3 3416 -1 1 {} H 0.0 {0.4015845829 0.548075364771 0.44894680449} H4 3417 -1 1 {} H 0.0 {0.437195787079 0.528945701998 0.452174679332} H5 3418 -1 1 {} H 0.0 {0.430976810338 0.519849767003 0.465322547139} H6 3419 -1 1 {} H 0.0 {0.403585063435 0.526574906738 0.472768463233} H7 3420 -1 1 {} H 0.0 {0.400534529469 0.511990903542 0.464268252406} H8 3421 -1 1 {} H 0.0 {0.449216815277 0.515143266689 0.441754619873} H9 3422 -1 1 {} H 0.0 {0.447322090925 0.508004401174 0.457236419044} H10 3423 -1 1 {} H 0.0 {0.426325575934 0.495567066254 0.465684792076} H11 3424 -1 1 {} H 0.0 {0.427743225831 0.482195585304 0.454800483759} H12 3425 -1 1 {} H 0.0 {0.427257340569 0.48574554134 0.426542758586} H13 3426 -1 1 {} H 0.0 {0.443417467153 0.487993452935 0.431867649916} H14 3427 -1 1 {} H 0.0 {0.429100695768 0.537419139058 0.441969077087} H15 3428 -1 1 {} H 0.0 {0.440900580402 0.562574874775 0.428703463852} H16 3429 -1 1 {} H 0.0 {0.457908316574 0.558570106938 0.425261213493} H17 3430 -1 1 {} H 0.0 {0.450609212015 0.553894032339 0.440794697615} H18 3431 -1 1 {} H 0.0 {0.463433557396 0.529812284311 0.413114722707} H19 3432 -1 1 {} H 0.0 {0.439428381838 0.518102634976 0.41051919602} H20 3433 -1 1 {} H 0.0 {0.441159728566 0.516165829529 0.427474374662} H21 3434 -1 1 {} H 0.0 {0.41646633033 0.512724544584 0.399244453678} H22 3435 -1 14 {} Si 0.0 {0.354030840139 0.404761269947 0.635678088902} Si1 3436 -1 8 {} O 0.0 {0.369583535064 0.403752761615 0.645630139887} O1 3437 -1 14 {} Si 0.0 {0.383939080234 0.39965069475 0.634717407706} Si2 3438 -1 8 {} O 0.0 {0.397887668965 0.393766161228 0.645154753439} O2 3439 -1 14 {} Si 0.0 {0.399976734054 0.405613377167 0.658947637349} Si3 3440 -1 7 {} N 0.0 {0.408780435642 0.397551545477 0.673274948902} N1 3441 -1 14 {} Si 0.0 {0.425591763115 0.405314032169 0.674151259427} Si4 3442 -1 14 {} Si 0.0 {0.411583221499 0.379637232796 0.669147570422} Si5 3443 -1 7 {} N 0.0 {0.423964480051 0.423244788848 0.67855665519} N2 3444 -1 7 {} N 0.0 {0.433853103904 0.403732487062 0.657595359102} N3 3445 -1 7 {} N 0.0 {0.435799785944 0.396650023182 0.687005863405} N4 3446 -1 7 {} N 0.0 {0.428917503078 0.37506465643 0.674052750126} N5 3447 -1 7 {} N 0.0 {0.409442156565 0.376934855595 0.65090674452} N7 3448 -1 8 {} O 0.0 {0.341338687603 0.41414624535 0.645148208276} O3 3449 -1 6 {} C 0.0 {0.347560315591 0.38734614748 0.632150628858} C1 3450 -1 8 {} O 0.0 {0.357421937468 0.413455337298 0.619799975087} O4 3451 -1 7 {} N 0.0 {0.383230101575 0.411493207258 0.664352261216} N8 3452 -1 8 {} O 0.0 {0.409825264796 0.419993617189 0.653117675367} O5 3453 -1 1 {} H 0.0 {0.387965913469 0.411362452607 0.62757930265} H1 3454 -1 1 {} H 0.0 {0.380223205867 0.389422330071 0.625431509738} H2 3455 -1 1 {} H 0.0 {0.423755647153 0.4286892558 0.66943758503} H3 3456 -1 1 {} H 0.0 {0.433061845865 0.426023970662 0.683571435358} H4 3457 -1 1 {} H 0.0 {0.42818485711 0.396710885112 0.651910240669} H5 3458 -1 1 {} H 0.0 {0.443441123793 0.399205397484 0.659360034581} H6 3459 -1 1 {} H 0.0 {0.444356269527 0.402722099384 0.688849721072} H7 3460 -1 1 {} H 0.0 {0.439401628523 0.387583772371 0.682482614847} H8 3461 -1 1 {} H 0.0 {0.43113848907 0.365699244815 0.669516498327} H9 3462 -1 1 {} H 0.0 {0.42877229352 0.373394397507 0.684689527066} H10 3463 -1 1 {} H 0.0 {0.404849425538 0.36739837536 0.649656805643} H13 3464 -1 1 {} H 0.0 {0.419334959674 0.376131300027 0.646743243088} H14 3465 -1 1 {} H 0.0 {0.338644379184 0.422757997071 0.639781773042} H15 3466 -1 1 {} H 0.0 {0.336963255314 0.386934249169 0.634335306722} H16 3467 -1 1 {} H 0.0 {0.352772536175 0.380121164902 0.638443871859} H17 3468 -1 1 {} H 0.0 {0.34918403397 0.384926580711 0.621687465122} H18 3469 -1 1 {} H 0.0 {0.353868800053 0.407647783418 0.611821595868} H19 3470 -1 1 {} H 0.0 {0.384547905025 0.421049988219 0.668865735029} H20 3471 -1 1 {} H 0.0 {0.379978747999 0.404806574906 0.672120289825} H21 3472 -1 1 {} H 0.0 {0.404316793195 0.42529599828 0.645923953379} H22 3473 -1 7 {} N 0.0 {0.567119707815 0.301727525938 0.591724213372} N2 3474 -1 7 {} N 0.0 {0.604677447383 0.316196325058 0.584221637413} N6 3475 -1 1 {} H 0.0 {0.558444449699 0.298764778528 0.586317714742} H3 3476 -1 1 {} H 0.0 {0.572555758283 0.308479045644 0.585335281434} H4 3477 -1 1 {} H 0.0 {0.594629399745 0.319561653694 0.584509716696} H11 3478 -1 1 {} H 0.0 {0.608411999723 0.318675157188 0.574448018444} H12 3479 -1 14 {} Si 0.0 {0.615721563683 0.559453104439 0.326321722074} Si1 3480 -1 8 {} O 0.0 {0.616108002595 0.545533830119 0.314145718126} O1 3481 -1 14 {} Si 0.0 {0.621748762391 0.529773630741 0.322211519172} Si2 3482 -1 8 {} O 0.0 {0.639377236457 0.526699815012 0.317611912876} O2 3483 -1 14 {} Si 0.0 {0.63926503566 0.522911687101 0.299776191788} Si3 3484 -1 7 {} N 0.0 {0.665020813613 0.529949220773 0.320871164346} N5 3485 -1 8 {} O 0.0 {0.603509132491 0.555618756689 0.339561316345} O3 3486 -1 6 {} C 0.0 {0.610722315755 0.575267639843 0.317544860978} C1 3487 -1 8 {} O 0.0 {0.632427696835 0.561684960403 0.33373435379} O4 3488 -1 7 {} N 0.0 {0.626482694053 0.534301343248 0.292104242881} N8 3489 -1 8 {} O 0.0 {0.63385174404 0.505493001008 0.297388478223} O5 3490 -1 1 {} H 0.0 {0.613735640856 0.518961286396 0.317370201658} H1 3491 -1 1 {} H 0.0 {0.620315734211 0.530609777337 0.336400403852} H2 3492 -1 1 {} H 0.0 {0.671935399711 0.536113308684 0.326204897741} H9 3493 -1 1 {} H 0.0 {0.666381171996 0.519966986119 0.324658555495} H10 3494 -1 1 {} H 0.0 {0.597881935522 0.564210884884 0.341718933775} H15 3495 -1 1 {} H 0.0 {0.599865001229 0.576058926765 0.317378887357} H16 3496 -1 1 {} H 0.0 {0.614512499032 0.575093036704 0.307332237126} H17 3497 -1 1 {} H 0.0 {0.614917572412 0.583828390537 0.322829492807} H18 3498 -1 1 {} H 0.0 {0.634198617005 0.571910920891 0.335326277069} H19 3499 -1 1 {} H 0.0 {0.623643456513 0.530133458348 0.282739014173} H20 3500 -1 1 {} H 0.0 {0.631489528064 0.54362678343 0.289977967175} H21 3501 -1 1 {} H 0.0 {0.629052741029 0.50210542521 0.306081939986} H22 3502 -1 14 {} Si 0.0 {0.617973640937 0.455686215173 0.553123434781} Si1 3503 -1 8 {} O 0.0 {0.616667344432 0.464845808374 0.537136066967} O1 3504 -1 14 {} Si 0.0 {0.598948835574 0.470065647462 0.534675858682} Si2 3505 -1 8 {} O 0.0 {0.586943451773 0.454562906991 0.533224907486} O2 3506 -1 14 {} Si 0.0 {0.582964579846 0.44408615458 0.516469361669} Si3 3507 -1 7 {} N 0.0 {0.588379518915 0.450789480441 0.498908904435} N1 3508 -1 14 {} Si 0.0 {0.582931387053 0.468045473556 0.497341991318} Si4 3509 -1 14 {} Si 0.0 {0.579302786382 0.44042856119 0.48662183931} Si5 3510 -1 7 {} N 0.0 {0.597913551237 0.478711100443 0.494118297299} N2 3511 -1 7 {} N 0.0 {0.574848049569 0.473004980789 0.513139883632} N3 3512 -1 7 {} N 0.0 {0.570936368426 0.469497025903 0.483419774663} N4 3513 -1 7 {} N 0.0 {0.565787118728 0.431258071293 0.495631638712} N5 3514 -1 7 {} N 0.0 {0.571652799817 0.451208695796 0.473656007762} N6 3515 -1 7 {} N 0.0 {0.591119336138 0.42770308478 0.478366354079} N7 3516 -1 8 {} O 0.0 {0.634467101259 0.458730041974 0.56093673365} O3 3517 -1 6 {} C 0.0 {0.615680676991 0.437173428329 0.550025848477} C1 3518 -1 8 {} O 0.0 {0.604758725211 0.461642215153 0.564441455997} O4 3519 -1 7 {} N 0.0 {0.564589444195 0.441783402445 0.515757366454} N8 3520 -1 8 {} O 0.0 {0.590369675162 0.427199290543 0.518159810403} O5 3521 -1 1 {} H 0.0 {0.597900606195 0.478451413671 0.523049237609} H1 3522 -1 1 {} H 0.0 {0.594996807102 0.477696825492 0.546104522567} H2 3523 -1 1 {} H 0.0 {0.598635418709 0.485686594608 0.50210943331} H3 3524 -1 1 {} H 0.0 {0.595856934027 0.484382476186 0.485264768656} H4 3525 -1 1 {} H 0.0 {0.580704708505 0.480819102987 0.517337670951} H5 3526 -1 1 {} H 0.0 {0.575750194463 0.464534623618 0.519765198247} H6 3527 -1 1 {} H 0.0 {0.57581243385 0.465870864623 0.474730526232} H7 3528 -1 1 {} H 0.0 {0.569307091525 0.479973977602 0.481890674364} H8 3529 -1 1 {} H 0.0 {0.564597912265 0.421753657396 0.490887407215} H9 3530 -1 1 {} H 0.0 {0.556695777413 0.436712448059 0.493900182662} H10 3531 -1 1 {} H 0.0 {0.563039447289 0.455689691017 0.477999705105} H11 3532 -1 1 {} H 0.0 {0.568097994656 0.444677964012 0.465888453651} H12 3533 -1 1 {} H 0.0 {0.59113705647 0.42943861529 0.467874409498} H13 3534 -1 1 {} H 0.0 {0.58672818709 0.417819275373 0.479553469401} H14 3535 -1 1 {} H 0.0 {0.639999445354 0.449784316378 0.561115046854} H15 3536 -1 1 {} H 0.0 {0.620209396116 0.434484894102 0.540512695467} H16 3537 -1 1 {} H 0.0 {0.605041620191 0.434805163927 0.549753870883} H17 3538 -1 1 {} H 0.0 {0.620440697478 0.431513822484 0.558034069636} H18 3539 -1 1 {} H 0.0 {0.595421617262 0.459257558036 0.560406087961} H19 3540 -1 1 {} H 0.0 {0.562721683456 0.431287008176 0.515720663688} H20 3541 -1 1 {} H 0.0 {0.561431544119 0.445477537798 0.506178818044} H21 3542 -1 1 {} H 0.0 {0.58455617496 0.421413013097 0.524778615291} H22 3543 -1 14 {} Si 0.0 {0.642205607722 0.521618869112 0.680549382019} Si1 3544 -1 8 {} O 0.0 {0.626127804075 0.518186962295 0.672180697154} O1 3545 -1 14 {} Si 0.0 {0.61706628379 0.534083879363 0.66943061468} Si2 3546 -1 8 {} O 0.0 {0.600379958727 0.533215775021 0.677132458894} O2 3547 -1 14 {} Si 0.0 {0.597816011744 0.547979444751 0.687921106212} Si3 3548 -1 7 {} N 0.0 {0.611334918474 0.548559197794 0.700771847993} N1 3549 -1 14 {} Si 0.0 {0.627156451853 0.551422929666 0.691687172939} Si5 3550 -1 7 {} N 0.0 {0.634037220722 0.534949644138 0.687257268125} N6 3551 -1 7 {} N 0.0 {0.623976627018 0.561336908553 0.676192619205} N7 3552 -1 6 {} C 0.0 {0.648599949996 0.538642167329 0.674957771518} C1 3553 -1 8 {} O 0.0 {0.654557673614 0.508459569659 0.676211615771} O4 3554 -1 7 {} N 0.0 {0.581274326506 0.546672427525 0.696259283495} N8 3555 -1 8 {} O 0.0 {0.598426707959 0.563280037803 0.677696802808} O5 3556 -1 1 {} H 0.0 {0.61570979074 0.536412745445 0.655423957631} H1 3557 -1 1 {} H 0.0 {0.624346294988 0.544821283859 0.67531147135} H2 3558 -1 1 {} H 0.0 {0.633616736877 0.5341914057 0.676549870351} H12 3559 -1 1 {} H 0.0 {0.629208197783 0.556561404713 0.668200783395} H13 3560 -1 1 {} H 0.0 {0.628710445407 0.570893748277 0.677631547017} H14 3561 -1 1 {} H 0.0 {0.640760722978 0.543943278858 0.669523690115} H17 3562 -1 1 {} H 0.0 {0.657055409857 0.537254116113 0.668499197981} H18 3563 -1 1 {} H 0.0 {0.659462983134 0.510996835402 0.667254188115} H19 3564 -1 1 {} H 0.0 {0.582759145842 0.548858848748 0.706564233333} H20 3565 -1 1 {} H 0.0 {0.578358641079 0.536337176758 0.695699788709} H21 3566 -1 1 {} H 0.0 {0.590947045321 0.562883794021 0.67035010782} H22 3567 -1 14 {} Si 0.0 {0.397616524266 0.528149883486 0.327211059093} Si1 3568 -1 8 {} O 0.0 {0.398177864102 0.51170790731 0.335414041466} O1 3569 -1 14 {} Si 0.0 {0.408701315638 0.50031039051 0.3255568776} Si2 3570 -1 8 {} O 0.0 {0.419987126274 0.491177941941 0.33685097565} O2 3571 -1 14 {} Si 0.0 {0.436541063086 0.499226127023 0.336876526559} Si3 3572 -1 7 {} N 0.0 {0.44928748752 0.486894546315 0.331382284961} N1 3573 -1 14 {} Si 0.0 {0.456789939206 0.493496948011 0.31568105705} Si4 3574 -1 14 {} Si 0.0 {0.43998589575 0.471599458982 0.326818973046} Si5 3575 -1 7 {} N 0.0 {0.47452809988 0.488103285646 0.314472769112} N2 3576 -1 7 {} N 0.0 {0.455960732018 0.512054926788 0.315745799096} N3 3577 -1 7 {} N 0.0 {0.447303498579 0.486909884869 0.30108711973} N4 3578 -1 7 {} N 0.0 {0.427815600249 0.467476550541 0.340268337328} N5 3579 -1 7 {} N 0.0 {0.430921749567 0.47483798861 0.311019291838} N6 3580 -1 7 {} N 0.0 {0.451774744667 0.457416773592 0.324513274531} N7 3581 -1 8 {} O 0.0 {0.388413943623 0.526762568779 0.311343107239} O3 3582 -1 6 {} C 0.0 {0.415131265388 0.534089209849 0.323808540371} C1 3583 -1 8 {} O 0.0 {0.389100898659 0.540176317523 0.338213986859} O4 3584 -1 7 {} N 0.0 {0.440546653322 0.505096674213 0.354027031839} N8 3585 -1 8 {} O 0.0 {0.436408543768 0.513515272083 0.325304960107} O5 3586 -1 1 {} H 0.0 {0.416393813205 0.507838738958 0.31615404612} H1 3587 -1 1 {} H 0.0 {0.400396142023 0.491012522213 0.318550648168} H2 3588 -1 1 {} H 0.0 {0.480551623448 0.496833152428 0.315497054659} H3 3589 -1 1 {} H 0.0 {0.475985371633 0.484542983239 0.304422925093} H4 3590 -1 1 {} H 0.0 {0.454751831203 0.515124772638 0.325874469794} H5 3591 -1 1 {} H 0.0 {0.446899445865 0.514745956339 0.310625706009} H6 3592 -1 1 {} H 0.0 {0.454314350977 0.485250787122 0.293239053012} H7 3593 -1 1 {} H 0.0 {0.440819586781 0.494837422307 0.297781420964} H8 3594 -1 1 {} H 0.0 {0.419073112223 0.463641111047 0.335554635606} H9 3595 -1 1 {} H 0.0 {0.42498859982 0.476795256087 0.344834059564} H10 3596 -1 1 {} H 0.0 {0.420800679362 0.47678677284 0.313535575882} H11 3597 -1 1 {} H 0.0 {0.431006924243 0.465704804899 0.305483098835} H12 3598 -1 1 {} H 0.0 {0.454481480918 0.457199931418 0.314213838244} H13 3599 -1 1 {} H 0.0 {0.446168012496 0.448418807145 0.326394351799} H14 3600 -1 1 {} H 0.0 {0.39524187994 0.526324155614 0.303380190964} H15 3601 -1 1 {} H 0.0 {0.42047814562 0.526537924769 0.318049992973} H16 3602 -1 1 {} H 0.0 {0.420295250119 0.535784535355 0.333257693362} H17 3603 -1 1 {} H 0.0 {0.414772153641 0.543395543525 0.318145190192} H18 3604 -1 1 {} H 0.0 {0.396264643326 0.545716466147 0.343525984448} H19 3605 -1 1 {} H 0.0 {0.450957462226 0.50345920083 0.355566079338} H20 3606 -1 1 {} H 0.0 {0.435377528493 0.498531373707 0.360807187559} H21 3607 -1 1 {} H 0.0 {0.432328805731 0.51050534597 0.316104372816} H22 3608 -1 14 {} Si 0.0 {0.274784322758 0.421961244665 0.441535981452} Si1 3609 -1 8 {} O 0.0 {0.280619612955 0.410106842133 0.428768738444} O1 3610 -1 14 {} Si 0.0 {0.284814051418 0.41930343746 0.41339747309} Si2 3611 -1 8 {} O 0.0 {0.270664966178 0.430165084196 0.408628656242} O2 3612 -1 14 {} Si 0.0 {0.275740208757 0.44089946715 0.39454811676} Si3 3613 -1 7 {} N 0.0 {0.274594760777 0.459251957373 0.399746854098} N1 3614 -1 14 {} Si 0.0 {0.274320897425 0.470034894708 0.384356792769} Si5 3615 -1 7 {} N 0.0 {0.258582954707 0.478511313125 0.417167277934} N4 3616 -1 7 {} N 0.0 {0.290398347532 0.47938882266 0.382565822393} N6 3617 -1 8 {} O 0.0 {0.272270380203 0.413112164948 0.45747229526} O3 3618 -1 8 {} O 0.0 {0.287332047199 0.435236576273 0.443795525037} O4 3619 -1 8 {} O 0.0 {0.292987119344 0.436680245321 0.390013180969} O5 3620 -1 1 {} H 0.0 {0.287466930141 0.409995725321 0.402864682967} H1 3621 -1 1 {} H 0.0 {0.296430332284 0.427329743009 0.415683244568} H2 3622 -1 1 {} H 0.0 {0.264238264354 0.445706042309 0.425015230903} H4 3623 -1 1 {} H 0.0 {0.264908392211 0.477328408112 0.425690010111} H7 3624 -1 1 {} H 0.0 {0.264557782225 0.491800064543 0.382521986957} H10 3625 -1 1 {} H 0.0 {0.298056231014 0.473210603946 0.385945325234} H11 3626 -1 1 {} H 0.0 {0.289942051667 0.487686755287 0.389356046908} H12 3627 -1 1 {} H 0.0 {0.280640080007 0.459093992897 0.36400192986} H13 3628 -1 1 {} H 0.0 {0.258048152763 0.439910156723 0.439272964696} H18 3629 -1 1 {} H 0.0 {0.285399318645 0.440379479951 0.452746175298} H19 3630 -1 1 {} H 0.0 {0.293709883017 0.426334916628 0.388242150821} H22 3631 -1 14 {} Si 0.0 {0.669907973935 0.565606121034 0.335822627112} Si1 3632 -1 8 {} O 0.0 {0.661361320374 0.566760250912 0.352085068016} O1 3633 -1 14 {} Si 0.0 {0.654821734984 0.550318306087 0.356970546051} Si2 3634 -1 8 {} O 0.0 {0.641419532001 0.552579927577 0.369103732979} O2 3635 -1 14 {} Si 0.0 {0.633839281462 0.536325398397 0.372196150199} Si3 3636 -1 7 {} N 0.0 {0.64513281364 0.522961535683 0.365343607877} N1 3637 -1 14 {} Si 0.0 {0.634327813586 0.509749054491 0.357105957465} Si4 3638 -1 14 {} Si 0.0 {0.654227302847 0.515557235476 0.379953618245} Si5 3639 -1 7 {} N 0.0 {0.643358652927 0.493263409163 0.356011602229} N2 3640 -1 7 {} N 0.0 {0.630097954182 0.515370556466 0.339996517335} N3 3641 -1 7 {} N 0.0 {0.618467917146 0.507593586664 0.366863421552} N4 3642 -1 7 {} N 0.0 {0.653747746936 0.52758358358 0.394165089941} N5 3643 -1 7 {} N 0.0 {0.646235479907 0.499676677109 0.385147917104} N6 3644 -1 7 {} N 0.0 {0.671873276931 0.512390484006 0.375324621621} N7 3645 -1 6 {} C 0.0 {0.662514159547 0.551512537758 0.325529225714} C1 3646 -1 7 {} N 0.0 {0.617331187803 0.535498391153 0.363686098535} N8 3647 -1 8 {} O 0.0 {0.631642767135 0.53420560421 0.390350316715} O5 3648 -1 1 {} H 0.0 {0.665287946563 0.54251896062 0.362787639438} H1 3649 -1 1 {} H 0.0 {0.64963157239 0.543531824514 0.345503183274} H2 3650 -1 1 {} H 0.0 {0.64365522903 0.490497752774 0.345758602603} H3 3651 -1 1 {} H 0.0 {0.637262604648 0.485830398608 0.360930607828} H4 3652 -1 1 {} H 0.0 {0.633626971065 0.525377070422 0.339043986224} H5 3653 -1 1 {} H 0.0 {0.619356599327 0.515813850705 0.339486852013} H6 3654 -1 1 {} H 0.0 {0.616082120473 0.497198763494 0.366879914565} H7 3655 -1 1 {} H 0.0 {0.610707010655 0.512501398388 0.361269266755} H8 3656 -1 1 {} H 0.0 {0.659984403717 0.523660395758 0.401850019668} H9 3657 -1 1 {} H 0.0 {0.643733346708 0.527417975339 0.398002099052} H10 3658 -1 1 {} H 0.0 {0.635890911498 0.501662511563 0.386505711518} H11 3659 -1 1 {} H 0.0 {0.650202418931 0.497324200837 0.39485704268} H12 3660 -1 1 {} H 0.0 {0.675304403462 0.504438361359 0.381479213122} H13 3661 -1 1 {} H 0.0 {0.677435217616 0.521145016851 0.378238458586} H14 3662 -1 1 {} H 0.0 {0.660123706102 0.587083102678 0.331485592288} H15 3663 -1 1 {} H 0.0 {0.65309151286 0.554752748238 0.321133558527} H16 3664 -1 1 {} H 0.0 {0.660725465193 0.542901407787 0.331893373826} H17 3665 -1 1 {} H 0.0 {0.611713842187 0.527790046962 0.368412533782} H20 3666 -1 1 {} H 0.0 {0.619223353142 0.532184685022 0.35362589138} H21 3667 -1 1 {} H 0.0 {0.635160129708 0.542761991057 0.395322151176} H22 3668 -1 1 {} H 0.0 {0.307439689871 0.356717786251 0.563965088698} H11 3669 -1 6 {} C 0.0 {0.278722171249 0.397203390224 0.556911874621} C1 3670 -1 8 {} O 0.0 {0.265123742584 0.422154699283 0.545201691376} O4 3671 -1 1 {} H 0.0 {0.2815776587 0.392451936759 0.547532084797} H16 3672 -1 1 {} H 0.0 {0.28641032453 0.40415837662 0.559925799665} H18 3673 -1 1 {} H 0.0 {0.27536070075 0.423856183999 0.543674515786} H19 3674 -1 14 {} Si 0.0 {0.530918814505 0.492772870173 0.440563973441} Si1 3675 -1 8 {} O 0.0 {0.543806665922 0.500698735042 0.429298757609} O1 3676 -1 14 {} Si 0.0 {0.55690139369 0.511030443939 0.438364783545} Si2 3677 -1 8 {} O 0.0 {0.572695985942 0.513508242932 0.42745742023} O2 3678 -1 14 {} Si 0.0 {0.56819186083 0.519207881293 0.409853203212} Si3 3679 -1 7 {} N 0.0 {0.582717164266 0.52330501009 0.398821047223} N1 3680 -1 14 {} Si 0.0 {0.596896135208 0.531610367462 0.407807399464} Si4 3681 -1 14 {} Si 0.0 {0.576481144055 0.535941483686 0.386935107075} Si5 3682 -1 7 {} N 0.0 {0.597249069685 0.549568225376 0.403363488966} N2 3683 -1 7 {} N 0.0 {0.612505279898 0.523959065581 0.401590543987} N3 3684 -1 7 {} N 0.0 {0.595854884215 0.530023020189 0.42637347157} N4 3685 -1 7 {} N 0.0 {0.558178361593 0.533901694095 0.384501704228} N5 3686 -1 7 {} N 0.0 {0.579857615341 0.552612749845 0.394114430021} N6 3687 -1 7 {} N 0.0 {0.585244360256 0.53423939949 0.37064751463} N7 3688 -1 8 {} O 0.0 {0.519050724726 0.505387151688 0.446713751353} O3 3689 -1 6 {} C 0.0 {0.539123462855 0.484104281089 0.455228247787} C1 3690 -1 8 {} O 0.0 {0.521703563214 0.480171805606 0.430834470659} O4 3691 -1 7 {} N 0.0 {0.557335665874 0.53401838433 0.410881240608} N8 3692 -1 8 {} O 0.0 {0.558663530598 0.505662329857 0.401741552176} O5 3693 -1 1 {} H 0.0 {0.560504163155 0.504591673105 0.450548613731} H1 3694 -1 1 {} H 0.0 {0.55137390937 0.523870461079 0.441468344778} H2 3695 -1 1 {} H 0.0 {0.607182163726 0.551784936462 0.40011457567} H3 3696 -1 1 {} H 0.0 {0.595742220771 0.555012873635 0.412487916688} H4 3697 -1 1 {} H 0.0 {0.612259283111 0.524854743939 0.390987865538} H5 3698 -1 1 {} H 0.0 {0.611807817474 0.513592917895 0.403677078777} H6 3699 -1 1 {} H 0.0 {0.589221212223 0.537663204097 0.429784958221} H7 3700 -1 1 {} H 0.0 {0.605547870268 0.532590824651 0.430276844937} H8 3701 -1 1 {} H 0.0 {0.556763557432 0.525732806023 0.377844258912} H9 3702 -1 1 {} H 0.0 {0.554765421432 0.542710874182 0.37932837693} H10 3703 -1 1 {} H 0.0 {0.572652677117 0.559313128847 0.390093733345} H11 3704 -1 1 {} H 0.0 {0.589399305567 0.555630469477 0.39030766637} H12 3705 -1 1 {} H 0.0 {0.588119808258 0.544026070271 0.367577206569} H13 3706 -1 1 {} H 0.0 {0.577914358283 0.530848308534 0.363555274197} H14 3707 -1 1 {} H 0.0 {0.511755141266 0.500658918645 0.45268225132} H15 3708 -1 1 {} H 0.0 {0.543987087913 0.491520932111 0.461579517213} H16 3709 -1 1 {} H 0.0 {0.546568237074 0.477022572905 0.45156200105} H17 3710 -1 1 {} H 0.0 {0.531562705746 0.478748373164 0.46094718815} H18 3711 -1 1 {} H 0.0 {0.524837116967 0.470562925557 0.433735686884} H19 3712 -1 1 {} H 0.0 {0.556816168355 0.538057209986 0.401035604849} H20 3713 -1 1 {} H 0.0 {0.562546622325 0.541234310406 0.416919385658} H21 3714 -1 1 {} H 0.0 {0.551249984748 0.502155943235 0.408282981635} H22 3715 -1 7 {} N 0.0 {0.501567864024 0.67630860161 0.306770954684} N5 3716 -1 7 {} N 0.0 {0.48023847276 0.693012704385 0.320063084898} N6 3717 -1 1 {} H 0.0 {0.498470597028 0.666487974612 0.304031265368} H9 3718 -1 1 {} H 0.0 {0.503088196557 0.676162942452 0.317436950511} H10 3719 -1 1 {} H 0.0 {0.485106210226 0.687247657229 0.327581793765} H11 3720 -1 1 {} H 0.0 {0.469892102019 0.690019691079 0.320158544461} H12 3721 -1 1 {} H 0.0 {0.47592522698 0.667788718749 0.296264266219} H14 3722 -1 7 {} N 0.0 {0.717073838999 0.447777351606 0.506638502615} N5 3723 -1 1 {} H 0.0 {0.709429500028 0.45064354702 0.513396685464} H9 3724 -1 1 {} H 0.0 {0.719480955177 0.456487306979 0.500751998845} H10 3725 -1 1 {} H 0.0 {0.719232136176 0.423444312607 0.523116592319} H14 3726 -1 7 {} N 0.0 {0.671531907504 0.62984655984 0.405172180357} N2 3727 -1 1 {} H 0.0 {0.664959756798 0.626753694409 0.397398085993} H3 3728 -1 1 {} H 0.0 {0.667499508138 0.638978772229 0.409170490345} H4 3729 -1 1 {} H 0.0 {0.708451752757 0.612149226025 0.425898884888} H22 3730 -1 14 {} Si 0.0 {0.605281583853 0.563011580208 0.376281574422} Si1 3731 -1 8 {} O 0.0 {0.601191440985 0.568908002295 0.359133575607} O1 3732 -1 14 {} Si 0.0 {0.61506046312 0.578926943725 0.352052710357} Si2 3733 -1 8 {} O 0.0 {0.619397468257 0.592520718299 0.363585707591} O2 3734 -1 14 {} Si 0.0 {0.623502207249 0.585127475264 0.379760045563} Si3 3735 -1 7 {} N 0.0 {0.608354984381 0.576631365506 0.386337623054} N1 3736 -1 14 {} Si 0.0 {0.594598383939 0.578988576239 0.373543323757} Si4 3737 -1 14 {} Si 0.0 {0.603214481382 0.585362683003 0.402178055969} Si5 3738 -1 7 {} N 0.0 {0.588678244266 0.562340812038 0.367522526589} N2 3739 -1 7 {} N 0.0 {0.601080648556 0.588726511171 0.359095881177} N3 3740 -1 7 {} N 0.0 {0.580286608408 0.588083775319 0.381233473276} N4 3741 -1 7 {} N 0.0 {0.60887565315 0.603019506177 0.401827471821} N5 3742 -1 7 {} N 0.0 {0.584708073603 0.584942596235 0.403833947076} N6 3743 -1 7 {} N 0.0 {0.610826242506 0.576718618764 0.416760709846} N7 3744 -1 8 {} O 0.0 {0.603850097141 0.544687095095 0.376940108652} O3 3745 -1 6 {} C 0.0 {0.593208176916 0.570730148761 0.388821527509} C1 3746 -1 8 {} O 0.0 {0.622459073204 0.567746568211 0.380596379508} O4 3747 -1 7 {} N 0.0 {0.629092589318 0.598268454377 0.391514452599} N8 3748 -1 8 {} O 0.0 {0.637085863092 0.572868334283 0.377457807567} O5 3749 -1 1 {} H 0.0 {0.61098423061 0.584481287553 0.339524783163} H1 3750 -1 1 {} H 0.0 {0.626477426358 0.570566538551 0.350067275056} H2 3751 -1 1 {} H 0.0 {0.58056241725 0.564100576698 0.360850238011} H3 3752 -1 1 {} H 0.0 {0.58457106047 0.557232390236 0.376020098532} H4 3753 -1 1 {} H 0.0 {0.602787568986 0.598662266515 0.362469679693} H5 3754 -1 1 {} H 0.0 {0.593091647332 0.589251934239 0.35189712647} H6 3755 -1 1 {} H 0.0 {0.577585893894 0.58283016987 0.390071672362} H7 3756 -1 1 {} H 0.0 {0.571996333104 0.587061135537 0.374455920197} H8 3757 -1 1 {} H 0.0 {0.616186698984 0.604150886188 0.409478641106} H9 3758 -1 1 {} H 0.0 {0.600436461158 0.609018054693 0.40474791398} H10 3759 -1 1 {} H 0.0 {0.581127521306 0.594765809132 0.401740264457} H11 3760 -1 1 {} H 0.0 {0.582578179766 0.583058492876 0.414207682719} H12 3761 -1 1 {} H 0.0 {0.610810082087 0.566285637089 0.414604500379} H13 3762 -1 1 {} H 0.0 {0.604093569979 0.578142522626 0.42503944919} H14 3763 -1 1 {} H 0.0 {0.612743185204 0.540640921644 0.380833681242} H15 3764 -1 1 {} H 0.0 {0.595157034842 0.56663454465 0.398741791271} H16 3765 -1 1 {} H 0.0 {0.583013359333 0.568447848786 0.385889854805} H17 3766 -1 1 {} H 0.0 {0.594496458746 0.58155548334 0.389081378716} H18 3767 -1 1 {} H 0.0 {0.623741442498 0.567152705445 0.391013435372} H19 3768 -1 1 {} H 0.0 {0.639255199841 0.600381189975 0.389192077287} H20 3769 -1 1 {} H 0.0 {0.629025413745 0.593858977206 0.401324979224} H21 3770 -1 1 {} H 0.0 {0.63952031942 0.572244865199 0.367247619657} H22 3771 -1 14 {} Si 0.0 {0.561516741884 0.400831438429 0.366833266444} Si1 3772 -1 8 {} O 0.0 {0.544834097069 0.408230051131 0.364456880672} O1 3773 -1 14 {} Si 0.0 {0.546158906188 0.42337051961 0.354044457206} Si2 3774 -1 8 {} O 0.0 {0.562135307012 0.431842300178 0.357388288751} O2 3775 -1 14 {} Si 0.0 {0.558926580596 0.447028044985 0.367242770713} Si3 3776 -1 7 {} N 0.0 {0.555986740198 0.461475559256 0.355837640155} N1 3777 -1 14 {} Si 0.0 {0.554668574193 0.454998453005 0.338426262647} Si4 3778 -1 14 {} Si 0.0 {0.571098610975 0.472238701713 0.356511193209} Si5 3779 -1 7 {} N 0.0 {0.559996384409 0.468282960803 0.326540354816} N2 3780 -1 7 {} N 0.0 {0.537045711277 0.450274605734 0.334899327146} N3 3781 -1 7 {} N 0.0 {0.56562838407 0.440123326421 0.336367543379} N4 3782 -1 7 {} N 0.0 {0.574510477203 0.477020997819 0.374141636203} N5 3783 -1 7 {} N 0.0 {0.585657139098 0.462916101182 0.349661038945} N6 3784 -1 7 {} N 0.0 {0.56819400461 0.487539710363 0.346363728978} N7 3785 -1 8 {} O 0.0 {0.572870555099 0.406903842635 0.353695696484} O3 3786 -1 6 {} C 0.0 {0.560237166549 0.382089175413 0.365863399761} C1 3787 -1 8 {} O 0.0 {0.568073332585 0.405675322898 0.383329815335} O4 3788 -1 7 {} N 0.0 {0.573577179983 0.450602006097 0.378128186552} N8 3789 -1 8 {} O 0.0 {0.544039460129 0.444428692349 0.377737196833} O5 3790 -1 1 {} H 0.0 {0.535370956101 0.432221136062 0.357169286241} H1 3791 -1 1 {} H 0.0 {0.545491555127 0.419745814813 0.340234880211} H2 3792 -1 1 {} H 0.0 {0.557060104699 0.465169040713 0.316786525842} H3 3793 -1 1 {} H 0.0 {0.570758517666 0.468363750468 0.326622066442} H4 3794 -1 1 {} H 0.0 {0.530890091687 0.458241615449 0.33838528717} H5 3795 -1 1 {} H 0.0 {0.534835206581 0.441768053786 0.341092835189} H6 3796 -1 1 {} H 0.0 {0.574247051044 0.443283399052 0.330942917017} H7 3797 -1 1 {} H 0.0 {0.560340632607 0.433265268821 0.329973840856} H8 3798 -1 1 {} H 0.0 {0.573779912687 0.48763090689 0.374732015677} H9 3799 -1 1 {} H 0.0 {0.58480000829 0.474544947646 0.376071325322} H10 3800 -1 1 {} H 0.0 {0.592355323003 0.46112792202 0.357750016551} H11 3801 -1 1 {} H 0.0 {0.590711428528 0.469609177835 0.34292101178} H12 3802 -1 1 {} H 0.0 {0.575818102445 0.487898575055 0.338933555721} H13 3803 -1 1 {} H 0.0 {0.569867956599 0.495928249389 0.352882745657} H14 3804 -1 1 {} H 0.0 {0.580132983415 0.413160599916 0.357982828434} H15 3805 -1 1 {} H 0.0 {0.562143468135 0.378838563471 0.355635903931} H16 3806 -1 1 {} H 0.0 {0.550229399744 0.378971352367 0.368860014777} H17 3807 -1 1 {} H 0.0 {0.567591484579 0.377592389077 0.372535556016} H18 3808 -1 1 {} H 0.0 {0.578510245956 0.40453380972 0.383408624402} H19 3809 -1 1 {} H 0.0 {0.571595420512 0.459778863333 0.383175654454} H20 3810 -1 1 {} H 0.0 {0.581911281106 0.452446176484 0.371584134922} H21 3811 -1 1 {} H 0.0 {0.542199109576 0.434134157352 0.378690060105} H22 3812 -1 7 {} N 0.0 {0.552661642203 0.722656830289 0.373571672877} N2 3813 -1 1 {} H 0.0 {0.544161822123 0.716074419502 0.374140897481} H3 3814 -1 1 {} H 0.0 {0.556076872 0.724019943543 0.383697004746} H4 3815 -1 14 {} Si 0.0 {0.566430407943 0.324426614698 0.560116797659} Si1 3816 -1 8 {} O 0.0 {0.569005226532 0.330920949754 0.577180521254} O1 3817 -1 14 {} Si 0.0 {0.559527079827 0.346573308849 0.579396909406} Si2 3818 -1 8 {} O 0.0 {0.544241473311 0.343402569383 0.589251395237} O2 3819 -1 14 {} Si 0.0 {0.548182575146 0.34305144273 0.607223476873} Si3 3820 -1 7 {} N 0.0 {0.565537135001 0.337187901638 0.609557885795} N1 3821 -1 14 {} Si 0.0 {0.576551677071 0.349227044845 0.60077627352} Si4 3822 -1 14 {} Si 0.0 {0.566753213359 0.321014560178 0.600674120548} Si5 3823 -1 7 {} N 0.0 {0.591787892293 0.352324347514 0.610985012246} N2 3824 -1 7 {} N 0.0 {0.567349264221 0.365249940739 0.598286283145} N3 3825 -1 7 {} N 0.0 {0.581491542551 0.342189048115 0.584283810993} N4 3826 -1 7 {} N 0.0 {0.561390613523 0.3074475363 0.612022789816} N5 3827 -1 7 {} N 0.0 {0.55565648752 0.321325634894 0.585731341703} N6 3828 -1 7 {} N 0.0 {0.584284685424 0.318082859403 0.595431836184} N7 3829 -1 8 {} O 0.0 {0.572646200542 0.307134439955 0.559192251415} O3 3830 -1 6 {} C 0.0 {0.575765977869 0.335073273665 0.547607395104} C1 3831 -1 8 {} O 0.0 {0.548472388559 0.324673998052 0.556194069567} O4 3832 -1 7 {} N 0.0 {0.536594637262 0.331336118997 0.615785406826} N8 3833 -1 8 {} O 0.0 {0.546332444159 0.359908760088 0.61432882738} O5 3834 -1 1 {} H 0.0 {0.555794382006 0.351717561317 0.566690018821} H1 3835 -1 1 {} H 0.0 {0.567733956343 0.356093794368 0.586087292446} H2 3836 -1 1 {} H 0.0 {0.597252057975 0.360156243959 0.606248926501} H3 3837 -1 1 {} H 0.0 {0.597857074152 0.343476934209 0.610233793667} H4 3838 -1 1 {} H 0.0 {0.566173825037 0.36973672376 0.607861131601} H5 3839 -1 1 {} H 0.0 {0.557452771782 0.36264603493 0.594895514256} H6 3840 -1 1 {} H 0.0 {0.591076939117 0.337695491727 0.585507630863} H7 3841 -1 1 {} H 0.0 {0.582847734528 0.350535369525 0.577640161134} H8 3842 -1 1 {} H 0.0 {0.553982884856 0.301736481165 0.606708200313} H10 3843 -1 1 {} H 0.0 {0.546770902797 0.316032760279 0.588290844664} H11 3844 -1 1 {} H 0.0 {0.560559026827 0.315552130603 0.578098650837} H12 3845 -1 1 {} H 0.0 {0.585701273353 0.307536775781 0.594886242129} H13 3846 -1 1 {} H 0.0 {0.590533802646 0.321599849516 0.603446404748} H14 3847 -1 1 {} H 0.0 {0.580671927002 0.306671556021 0.552431692782} H15 3848 -1 1 {} H 0.0 {0.583721576768 0.329180399132 0.543045659924} H16 3849 -1 1 {} H 0.0 {0.580079210288 0.343708283717 0.552593511271} H17 3850 -1 1 {} H 0.0 {0.568904747265 0.338443096859 0.539897088407} H18 3851 -1 1 {} H 0.0 {0.547180266939 0.326095547724 0.545885683104} H19 3852 -1 1 {} H 0.0 {0.542548523926 0.324854510726 0.62180056721} H20 3853 -1 1 {} H 0.0 {0.532207053061 0.325201057707 0.608106126584} H21 3854 -1 1 {} H 0.0 {0.537418661359 0.364203637674 0.610835696068} H22 3855 -1 14 {} Si 0.0 {0.476386453817 0.570881699664 0.438575450667} Si1 3856 -1 8 {} O 0.0 {0.483389417045 0.587879553482 0.439863822667} O1 3857 -1 14 {} Si 0.0 {0.49551716843 0.590710675551 0.42633219254} Si2 3858 -1 8 {} O 0.0 {0.499020536927 0.608755811728 0.424901724134} O2 3859 -1 14 {} Si 0.0 {0.484847628807 0.617252700317 0.416771790817} Si3 3860 -1 7 {} N 0.0 {0.482217020292 0.63437111433 0.424045477336} N1 3861 -1 14 {} Si 0.0 {0.469563658955 0.632769359717 0.437680593874} Si4 3862 -1 14 {} Si 0.0 {0.474304464239 0.644846337544 0.41074364778} Si5 3863 -1 7 {} N 0.0 {0.453802607507 0.641057958886 0.432399620082} N2 3864 -1 7 {} N 0.0 {0.475930677928 0.640960270547 0.453171071101} N3 3865 -1 7 {} N 0.0 {0.466296968151 0.61481597226 0.441093843774} N4 3866 -1 7 {} N 0.0 {0.463970010682 0.633994871004 0.400180106356} N5 3867 -1 7 {} N 0.0 {0.46352262009 0.657828028374 0.418540327669} N6 3868 -1 7 {} N 0.0 {0.48736229497 0.652944668626 0.400291751818} N7 3869 -1 8 {} O 0.0 {0.476009966398 0.565592369973 0.420943739723} O3 3870 -1 6 {} C 0.0 {0.45892879085 0.570911344834 0.44550713139} C1 3871 -1 8 {} O 0.0 {0.486768140557 0.559154176308 0.448232313768} O4 3872 -1 7 {} N 0.0 {0.469447774867 0.607074780527 0.419172323192} N8 3873 -1 8 {} O 0.0 {0.488364200055 0.618819957353 0.398742911543} O5 3874 -1 1 {} H 0.0 {0.490158621112 0.585866509859 0.413992416444} H1 3875 -1 1 {} H 0.0 {0.507633735895 0.583773413067 0.429324080476} H2 3876 -1 1 {} H 0.0 {0.452529243893 0.639092319674 0.422005256268} H3 3877 -1 1 {} H 0.0 {0.455433617373 0.65165276353 0.433338062503} H4 3878 -1 1 {} H 0.0 {0.482349857255 0.648927180639 0.450132314763} H5 3879 -1 1 {} H 0.0 {0.482172266967 0.633722922598 0.458139779435} H6 3880 -1 1 {} H 0.0 {0.46086493053 0.614299292192 0.450245937904} H7 3881 -1 1 {} H 0.0 {0.475853195804 0.610237949457 0.442945320655} H8 3882 -1 1 {} H 0.0 {0.45378740755 0.636746863213 0.401796160403} H9 3883 -1 1 {} H 0.0 {0.46515498308 0.624254179811 0.404189708563} H10 3884 -1 1 {} H 0.0 {0.453509998353 0.655927409261 0.415376191252} H11 3885 -1 1 {} H 0.0 {0.466369524892 0.667227992709 0.414176077855} H12 3886 -1 1 {} H 0.0 {0.485584931896 0.649993178894 0.390190064984} H13 3887 -1 1 {} H 0.0 {0.496747144826 0.6485710027 0.403143872355} H14 3888 -1 1 {} H 0.0 {0.481818330258 0.572157680151 0.415195312466} H15 3889 -1 1 {} H 0.0 {0.457293640689 0.580073201126 0.451164565571} H16 3890 -1 1 {} H 0.0 {0.457604423206 0.562308892559 0.452068175656} H17 3891 -1 1 {} H 0.0 {0.451779507962 0.570392568713 0.437330038858} H18 3892 -1 1 {} H 0.0 {0.482618617907 0.549513155461 0.447628359941} H19 3893 -1 1 {} H 0.0 {0.46205745041 0.613467711008 0.423406844295} H20 3894 -1 1 {} H 0.0 {0.471766697948 0.599687830911 0.42665211195} H21 3895 -1 1 {} H 0.0 {0.497284870528 0.62414270688 0.397376976507} H22 3896 -1 14 {} Si 0.0 {0.485193123021 0.278855250514 0.582556379343} Si1 3897 -1 8 {} O 0.0 {0.501162812079 0.286387467515 0.57733479513} O1 3898 -1 14 {} Si 0.0 {0.500052343649 0.292745249496 0.560009067111} Si2 3899 -1 8 {} O 0.0 {0.484714251621 0.286688201505 0.551917680599} O2 3900 -1 14 {} Si 0.0 {0.475884469402 0.300403740565 0.543495916434} Si3 3901 -1 7 {} N 0.0 {0.468846798317 0.294183684981 0.526965750025} N1 3902 -1 14 {} Si 0.0 {0.450923378453 0.299114628087 0.527306867824} Si4 3903 -1 14 {} Si 0.0 {0.470606032487 0.274591281723 0.526678533938} Si5 3904 -1 7 {} N 0.0 {0.443256642627 0.293981905891 0.54357192618} N2 3905 -1 7 {} N 0.0 {0.441946964982 0.291043087354 0.51333121463} N3 3906 -1 7 {} N 0.0 {0.449820023082 0.317519230967 0.525633002075} N4 3907 -1 7 {} N 0.0 {0.490198115825 0.270213786789 0.529513714991} N5 3908 -1 7 {} N 0.0 {0.459371211606 0.268263591217 0.540896697207} N6 3909 -1 7 {} N 0.0 {0.463983108018 0.267343280295 0.510673815385} N7 3910 -1 8 {} O 0.0 {0.471340965152 0.286895855486 0.573544826347} O3 3911 -1 7 {} N 0.0 {0.487680149083 0.314466953101 0.540597568318} N8 3912 -1 8 {} O 0.0 {0.46201158385 0.30617780723 0.554124947709} O5 3913 -1 1 {} H 0.0 {0.511377888246 0.288032150315 0.552636801271} H1 3914 -1 1 {} H 0.0 {0.500009587993 0.307052941757 0.560176298778} H2 3915 -1 1 {} H 0.0 {0.434442873731 0.288403919421 0.541291459967} H3 3916 -1 1 {} H 0.0 {0.440005052376 0.302982802026 0.548420509049} H4 3917 -1 1 {} H 0.0 {0.436734578459 0.298670558272 0.508291015672} H5 3918 -1 1 {} H 0.0 {0.434510620733 0.284648926902 0.517708914335} H6 3919 -1 1 {} H 0.0 {0.45838218781 0.321612063545 0.530516158361} H7 3920 -1 1 {} H 0.0 {0.441279568383 0.320603365553 0.531361273816} H8 3921 -1 1 {} H 0.0 {0.49552822333 0.271339424722 0.52015963912} H9 3922 -1 1 {} H 0.0 {0.450220670911 0.273791615575 0.540421767915} H12 3923 -1 1 {} H 0.0 {0.453336518592 0.267447124532 0.511286116934} H13 3924 -1 1 {} H 0.0 {0.475210184845 0.292736295385 0.56579407466} H15 3925 -1 1 {} H 0.0 {0.486998581474 0.290948583605 0.603950421686} H16 3926 -1 1 {} H 0.0 {0.486157944213 0.317900188169 0.530655348582} H20 3927 -1 1 {} H 0.0 {0.497588813967 0.310292037529 0.540934974521} H21 3928 -1 1 {} H 0.0 {0.463780692501 0.316070907342 0.557103336249} H22 3929 -1 14 {} Si 0.0 {0.363760658148 0.615718330933 0.607408639232} Si1 3930 -1 8 {} O 0.0 {0.354623421472 0.602658196163 0.598227061866} O1 3931 -1 14 {} Si 0.0 {0.366241230643 0.589151101126 0.593617229445} Si2 3932 -1 8 {} O 0.0 {0.359168823613 0.579485074075 0.579673064209} O2 3933 -1 14 {} Si 0.0 {0.360559909253 0.561540646511 0.58341648072} Si3 3934 -1 7 {} N 0.0 {0.343588720355 0.553991468923 0.584010994119} N1 3935 -1 14 {} Si 0.0 {0.344339442944 0.539701823094 0.595778192041} Si4 3936 -1 14 {} Si 0.0 {0.340213998546 0.547147865747 0.567138186639} Si5 3937 -1 7 {} N 0.0 {0.336442439858 0.544551198453 0.611885296562} N2 3938 -1 7 {} N 0.0 {0.362078171364 0.535119049805 0.598607836112} N3 3939 -1 7 {} N 0.0 {0.335289877548 0.525176679464 0.588584948852} N4 3940 -1 7 {} N 0.0 {0.355854355793 0.540017201066 0.560087725172} N5 3941 -1 7 {} N 0.0 {0.327234504039 0.533845234307 0.56814766393} N6 3942 -1 7 {} N 0.0 {0.334313942457 0.560908177974 0.556276754444} N7 3943 -1 8 {} O 0.0 {0.381192427303 0.616188189052 0.601626665198} O3 3944 -1 6 {} C 0.0 {0.363364965656 0.611900282544 0.62580912422} C1 3945 -1 8 {} O 0.0 {0.355857906759 0.632045270901 0.604349707106} O4 3946 -1 7 {} N 0.0 {0.368930735831 0.559268041766 0.599838625591} N8 3947 -1 8 {} O 0.0 {0.37046897921 0.553287018162 0.570282126607} O5 3948 -1 1 {} H 0.0 {0.368234270151 0.58053375895 0.604853756638} H1 3949 -1 1 {} H 0.0 {0.37876956148 0.594767298221 0.589638885932} H2 3950 -1 1 {} H 0.0 {0.344297724015 0.54647152337 0.618807087583} H3 3951 -1 1 {} H 0.0 {0.331222937619 0.53586424042 0.615495134497} H4 3952 -1 1 {} H 0.0 {0.367843736703 0.540149209764 0.591186158584} H5 3953 -1 1 {} H 0.0 {0.362895763549 0.524638916029 0.596500180985} H6 3954 -1 1 {} H 0.0 {0.325667889964 0.524869167013 0.593139846567} H7 3955 -1 1 {} H 0.0 {0.34051476169 0.51636087912 0.591851168632} H8 3956 -1 1 {} H 0.0 {0.356488280492 0.543224301293 0.549942720398} H9 3957 -1 1 {} H 0.0 {0.354538153428 0.529344759759 0.559847765233} H10 3958 -1 1 {} H 0.0 {0.331383065382 0.525808162172 0.573696740795} H11 3959 -1 1 {} H 0.0 {0.325792408022 0.530189374456 0.55815098366} H12 3960 -1 1 {} H 0.0 {0.324866980767 0.558066999896 0.552369534235} H13 3961 -1 1 {} H 0.0 {0.341129678114 0.561389847158 0.547960864146} H14 3962 -1 1 {} H 0.0 {0.381899556212 0.611383707425 0.592316168501} H15 3963 -1 1 {} H 0.0 {0.373491025953 0.609925473285 0.629326237584} H16 3964 -1 1 {} H 0.0 {0.357132952056 0.603132609515 0.627567758426} H17 3965 -1 1 {} H 0.0 {0.359244078839 0.620428871162 0.631201574933} H18 3966 -1 1 {} H 0.0 {0.352436797191 0.636020067896 0.613442240413} H19 3967 -1 1 {} H 0.0 {0.377263156383 0.552816477177 0.598265987513} H20 3968 -1 1 {} H 0.0 {0.362026613694 0.553888973415 0.606091468204} H21 3969 -1 1 {} H 0.0 {0.371727155786 0.559872158901 0.562198594324} H22 3970 -1 7 {} N 0.0 {0.423395747145 0.398835116703 0.294853283168} N1 3971 -1 14 {} Si 0.0 {0.412287949206 0.397807605369 0.30967405139} Si4 3972 -1 14 {} Si 0.0 {0.422503601798 0.416203554324 0.288268232427} Si5 3973 -1 7 {} N 0.0 {0.398102764852 0.386398145635 0.306010926672} N2 3974 -1 7 {} N 0.0 {0.405672121198 0.414538349319 0.313824962204} N3 3975 -1 7 {} N 0.0 {0.421892915877 0.391109934858 0.323895965018} N4 3976 -1 7 {} N 0.0 {0.436429820789 0.419349898606 0.276669212857} N5 3977 -1 7 {} N 0.0 {0.406657905277 0.418705990852 0.279281619647} N6 3978 -1 7 {} N 0.0 {0.423678475799 0.428149597848 0.302297880391} N7 3979 -1 1 {} H 0.0 {0.390019609732 0.389286535625 0.312323335322} H3 3980 -1 1 {} H 0.0 {0.40113147032 0.376590988312 0.309217297577} H4 3981 -1 1 {} H 0.0 {0.404546566193 0.414935303785 0.324394922831} H5 3982 -1 1 {} H 0.0 {0.395749685393 0.414964121137 0.309674921209} H6 3983 -1 1 {} H 0.0 {0.429301838292 0.384660449149 0.319776602731} H7 3984 -1 1 {} H 0.0 {0.415153253934 0.384861414901 0.329491665183} H8 3985 -1 1 {} H 0.0 {0.444515083226 0.423383449074 0.282374982937} H9 3986 -1 1 {} H 0.0 {0.433109765906 0.427085664423 0.26990493751} H10 3987 -1 1 {} H 0.0 {0.409092348123 0.421824327014 0.269459929186} H11 3988 -1 1 {} H 0.0 {0.401936713159 0.426948785939 0.283936297172} H12 3989 -1 1 {} H 0.0 {0.424069566604 0.437900986298 0.298056184948} H13 3990 -1 1 {} H 0.0 {0.433196472334 0.426466632971 0.306987878268} H14 3991 -1 14 {} Si 0.0 {0.28991471687 0.568416728692 0.412388972689} Si1 3992 -1 8 {} O 0.0 {0.277684873163 0.556870160929 0.404974026599} O1 3993 -1 14 {} Si 0.0 {0.261069966911 0.56468618126 0.405892830662} Si2 3994 -1 7 {} N 0.0 {0.267501580036 0.523588468278 0.403476895594} N5 3995 -1 8 {} O 0.0 {0.306108162477 0.559970549788 0.414516293136} O3 3996 -1 6 {} C 0.0 {0.283592630171 0.574312399535 0.429067078511} C1 3997 -1 8 {} O 0.0 {0.291901470077 0.582870499002 0.401385891797} O4 3998 -1 7 {} N 0.0 {0.274281097483 0.560069915825 0.377881876143} N8 3999 -1 1 {} H 0.0 {0.25622573115 0.563848827849 0.419322657673} H2 4000 -1 1 {} H 0.0 {0.265937166366 0.514247200196 0.408346944469} H9 4001 -1 1 {} H 0.0 {0.267109910938 0.53113634059 0.411127881075} H10 4002 -1 1 {} H 0.0 {0.311490396864 0.56467100394 0.422215848344} H15 4003 -1 1 {} H 0.0 {0.291096848906 0.572351901325 0.436705441967} H16 4004 -1 1 {} H 0.0 {0.274398000403 0.569014850577 0.431543544952} H17 4005 -1 1 {} H 0.0 {0.281595754289 0.585026930839 0.428600910528} H18 4006 -1 1 {} H 0.0 {0.28352501241 0.589058952567 0.402435125791} H19 4007 -1 1 {} H 0.0 {0.278603283816 0.557474929076 0.368488536648} H20 4008 -1 1 {} H 0.0 {0.280135553265 0.555134148509 0.385413535686} H21 4009 -1 14 {} Si 0.0 {0.538337070372 0.631541248771 0.332398654471} Si1 4010 -1 8 {} O 0.0 {0.553393631292 0.639619173573 0.325916425489} O1 4011 -1 14 {} Si 0.0 {0.567642160404 0.635470915493 0.336678866342} Si2 4012 -1 8 {} O 0.0 {0.565825413824 0.618265794593 0.343214723218} O2 4013 -1 14 {} Si 0.0 {0.572676450478 0.61803045354 0.360230317032} Si3 4014 -1 7 {} N 0.0 {0.587603596014 0.628945904483 0.360242137773} N1 4015 -1 14 {} Si 0.0 {0.589080781788 0.634902201407 0.342825230509} Si4 4016 -1 14 {} Si 0.0 {0.602490078664 0.618429949984 0.363318214416} Si5 4017 -1 7 {} N 0.0 {0.5807123688 0.622459280525 0.331655787826} N2 4018 -1 7 {} N 0.0 {0.606978367257 0.636401040546 0.338128357926} N3 4019 -1 7 {} N 0.0 {0.580829665073 0.65149616019 0.341204355999} N4 4020 -1 7 {} N 0.0 {0.616647158648 0.629508198756 0.367768168575} N5 4021 -1 7 {} N 0.0 {0.599112906031 0.606510972528 0.377191888739} N6 4022 -1 7 {} N 0.0 {0.606698166603 0.609000094588 0.34785345021} N7 4023 -1 8 {} O 0.0 {0.525224909391 0.632195049359 0.319571446758} O3 4024 -1 6 {} C 0.0 {0.532518981595 0.640596076483 0.347823699948} C1 4025 -1 8 {} O 0.0 {0.54212454715 0.614015403382 0.336538802447} O4 4026 -1 7 {} N 0.0 {0.577250599409 0.600720208678 0.365176274898} N8 4027 -1 8 {} O 0.0 {0.560135020659 0.624642690044 0.371849397791} O5 4028 -1 1 {} H 0.0 {0.568114118835 0.644603168626 0.347678403505} H1 4029 -1 1 {} H 0.0 {0.579722029518 0.636638594118 0.329062095464} H2 4030 -1 1 {} H 0.0 {0.582891772383 0.612771527262 0.335513157278} H3 4031 -1 1 {} H 0.0 {0.585567639201 0.623116022257 0.322089036102} H4 4032 -1 1 {} H 0.0 {0.611278655053 0.626714724841 0.338969731889} H5 4033 -1 1 {} H 0.0 {0.611639858032 0.642494022963 0.345654721219} H6 4034 -1 1 {} H 0.0 {0.5820945601 0.65468430567 0.33114023408} H7 4035 -1 1 {} H 0.0 {0.586448681684 0.658345931363 0.347319728785} H8 4036 -1 1 {} H 0.0 {0.625618950271 0.624468554965 0.365024388192} H9 4037 -1 1 {} H 0.0 {0.616666904469 0.630328543529 0.378501406773} H10 4038 -1 1 {} H 0.0 {0.597613731616 0.612257035762 0.38601798588} H11 4039 -1 1 {} H 0.0 {0.608163783233 0.600870986887 0.378687012213} H12 4040 -1 1 {} H 0.0 {0.616127185484 0.612607996826 0.344420696007} H13 4041 -1 1 {} H 0.0 {0.599447584766 0.611854646844 0.340436543252} H14 4042 -1 1 {} H 0.0 {0.523691554615 0.642174244818 0.316670195429} H15 4043 -1 1 {} H 0.0 {0.525722084467 0.648626052828 0.344962912254} H16 4044 -1 1 {} H 0.0 {0.541113033433 0.644779506891 0.353030626339} H17 4045 -1 1 {} H 0.0 {0.527354564039 0.633659870642 0.354403431875} H18 4046 -1 1 {} H 0.0 {0.533596809084 0.609463356724 0.340593286712} H19 4047 -1 1 {} H 0.0 {0.587810614362 0.599964524535 0.364614439265} H20 4048 -1 1 {} H 0.0 {0.573290378017 0.594188839222 0.357612613891} H21 4049 -1 1 {} H 0.0 {0.550549861072 0.622814221583 0.367969775302} H22 4050 -1 14 {} Si 0.0 {0.334533484005 0.443484053782 0.397227709768} Si1 4051 -1 8 {} O 0.0 {0.343309862104 0.448822912263 0.381489564062} O1 4052 -1 14 {} Si 0.0 {0.360598969844 0.45708294809 0.384328121331} Si2 4053 -1 8 {} O 0.0 {0.360954408871 0.476340888242 0.381638074735} O2 4054 -1 14 {} Si 0.0 {0.354128115168 0.481373049062 0.364510580783} Si3 4055 -1 7 {} N 0.0 {0.353786177832 0.5009714663 0.362284940216} N1 4056 -1 14 {} Si 0.0 {0.337203252004 0.509034050237 0.36671090114} Si4 4057 -1 14 {} Si 0.0 {0.357132071363 0.506302285324 0.344426883351} Si5 4058 -1 7 {} N 0.0 {0.333970804822 0.507807292795 0.384893878201} N2 4059 -1 7 {} N 0.0 {0.322996492241 0.50147909562 0.357190468678} N3 4060 -1 7 {} N 0.0 {0.338313082901 0.527016417871 0.362122042032} N4 4061 -1 7 {} N 0.0 {0.369095994752 0.494770203681 0.335698212836} N5 4062 -1 7 {} N 0.0 {0.340958933386 0.506615465537 0.335347846819} N6 4063 -1 7 {} N 0.0 {0.364267062529 0.523413233778 0.344305111862} N7 4064 -1 8 {} O 0.0 {0.316096869315 0.446543537304 0.395552015751} O3 4065 -1 6 {} C 0.0 {0.341756575119 0.45311337775 0.411503800527} C1 4066 -1 8 {} O 0.0 {0.335916900769 0.425711714701 0.400468745804} O4 4067 -1 7 {} N 0.0 {0.336906271514 0.47427182895 0.363437112875} N8 4068 -1 8 {} O 0.0 {0.36514427297 0.474047888496 0.352045856061} O5 4069 -1 1 {} H 0.0 {0.369840852825 0.451164223595 0.375200833353} H1 4070 -1 1 {} H 0.0 {0.364966281817 0.45424106099 0.397661623982} H2 4071 -1 1 {} H 0.0 {0.324218904622 0.511600709695 0.386649889477} H3 4072 -1 1 {} H 0.0 {0.340813785344 0.514583772527 0.389720440278} H4 4073 -1 1 {} H 0.0 {0.322778571008 0.506141284662 0.347628028495} H5 4074 -1 1 {} H 0.0 {0.314006783983 0.50447283577 0.362266406084} H6 4075 -1 1 {} H 0.0 {0.334634384403 0.532631595276 0.370340074914} H7 4076 -1 1 {} H 0.0 {0.331417496969 0.528556452993 0.354022846756} H8 4077 -1 1 {} H 0.0 {0.378881023428 0.497359098242 0.338858262299} H9 4078 -1 1 {} H 0.0 {0.368523028228 0.497134863162 0.325178474552} H10 4079 -1 1 {} H 0.0 {0.339807766042 0.497209173966 0.330843256053} H11 4080 -1 1 {} H 0.0 {0.341987795904 0.513736226556 0.327366278506} H12 4081 -1 1 {} H 0.0 {0.36373832689 0.526952543243 0.334242078863} H13 4082 -1 1 {} H 0.0 {0.374702032711 0.522395269207 0.346630031261} H14 4083 -1 1 {} H 0.0 {0.313576898106 0.455553630936 0.399598816878} H15 4084 -1 1 {} H 0.0 {0.34013344548 0.46361076472 0.410008355523} H16 4085 -1 1 {} H 0.0 {0.352415906094 0.451233678657 0.411898065202} H17 4086 -1 1 {} H 0.0 {0.33710013074 0.450010014992 0.420780409249} H18 4087 -1 1 {} H 0.0 {0.328721204989 0.422919146223 0.407673425218} H19 4088 -1 1 {} H 0.0 {0.331483599017 0.479499216546 0.356280923517} H20 4089 -1 1 {} H 0.0 {0.337867507512 0.464110164513 0.359907863995} H21 4090 -1 1 {} H 0.0 {0.369288811155 0.46516498581 0.355830682611} H22 4091 -1 14 {} Si 0.0 {0.412767331498 0.438346541109 0.349763502098} Si1 4092 -1 8 {} O 0.0 {0.403818933026 0.449682973007 0.3608887394} O1 4093 -1 14 {} Si 0.0 {0.389464974255 0.440761085274 0.367773390388} Si2 4094 -1 8 {} O 0.0 {0.376959930128 0.438394937531 0.354542725843} O2 4095 -1 14 {} Si 0.0 {0.361431994957 0.431243017794 0.360985427121} Si3 4096 -1 7 {} N 0.0 {0.34727014362 0.438482179078 0.351765414467} N1 4097 -1 14 {} Si 0.0 {0.340042576278 0.423156805543 0.343489152685} Si4 4098 -1 14 {} Si 0.0 {0.353303604016 0.450318936226 0.337492947507} Si5 4099 -1 7 {} N 0.0 {0.341220533694 0.408715814004 0.355293832046} N2 4100 -1 7 {} N 0.0 {0.349878128364 0.419148943172 0.328274271107} N3 4101 -1 7 {} N 0.0 {0.322335491332 0.425800218466 0.338834742308} N4 4102 -1 7 {} N 0.0 {0.369580186327 0.44540689163 0.331166931943} N5 4103 -1 7 {} N 0.0 {0.340461852785 0.449497893746 0.324350775637} N6 4104 -1 7 {} N 0.0 {0.355692013718 0.468366287974 0.342138950847} N7 4105 -1 8 {} O 0.0 {0.403126607588 0.422771492552 0.347985971868} O3 4106 -1 6 {} C 0.0 {0.429453888123 0.434527592476 0.357128773709} C1 4107 -1 8 {} O 0.0 {0.414903938379 0.446237123187 0.333318282877} O4 4108 -1 7 {} N 0.0 {0.359449405525 0.434644886097 0.37917051853} N8 4109 -1 8 {} O 0.0 {0.361084175917 0.412735712783 0.357661829425} O5 4110 -1 1 {} H 0.0 {0.383938458959 0.448395456727 0.378604938467} H1 4111 -1 1 {} H 0.0 {0.393608857855 0.427922750224 0.372440244148} H2 4112 -1 1 {} H 0.0 {0.346144488307 0.400791525771 0.350161381779} H3 4113 -1 1 {} H 0.0 {0.331156778219 0.405383239714 0.357158474812} H4 4114 -1 1 {} H 0.0 {0.351063721339 0.428178166115 0.322812736972} H5 4115 -1 1 {} H 0.0 {0.343730069933 0.412692069403 0.322252896371} H6 4116 -1 1 {} H 0.0 {0.316968841439 0.417051151279 0.341817944102} H7 4117 -1 1 {} H 0.0 {0.322012039073 0.426067222627 0.32810529015} H8 4118 -1 1 {} H 0.0 {0.375933964187 0.453750869475 0.333160291747} H9 4119 -1 1 {} H 0.0 {0.368770528172 0.444934249242 0.320648410631} H10 4120 -1 1 {} H 0.0 {0.335066925535 0.440405001935 0.32600285435} H11 4121 -1 1 {} H 0.0 {0.345443108382 0.448566164579 0.314871502539} H12 4122 -1 1 {} H 0.0 {0.348890509816 0.474334764097 0.336302472988} H13 4123 -1 1 {} H 0.0 {0.365535922705 0.470985151434 0.338577543658} H14 4124 -1 1 {} H 0.0 {0.406472352101 0.417547460046 0.339555271343} H15 4125 -1 1 {} H 0.0 {0.428188262823 0.427686807185 0.365518153685} H16 4126 -1 1 {} H 0.0 {0.43405519076 0.443761384188 0.360620479842} H17 4127 -1 1 {} H 0.0 {0.435789508511 0.429928016709 0.349568086755} H18 4128 -1 1 {} H 0.0 {0.425089308755 0.448123502809 0.331675564666} H19 4129 -1 1 {} H 0.0 {0.364060596158 0.426671272795 0.384402366012} H20 4130 -1 1 {} H 0.0 {0.348920023397 0.433961293159 0.381268435634} H21 4131 -1 1 {} H 0.0 {0.366117215893 0.407378877292 0.365184525288} H22 4132 -1 14 {} Si 0.0 {0.424682376373 0.380176772438 0.359954475107} Si1 4133 -1 8 {} O 0.0 {0.418830124231 0.371329280291 0.345050628174} O1 4134 -1 14 {} Si 0.0 {0.431465988696 0.373333134825 0.331970357674} Si2 4135 -1 8 {} O 0.0 {0.436746136503 0.391041017544 0.331467449343} O2 4136 -1 14 {} Si 0.0 {0.451961357788 0.392534164457 0.321400742398} Si3 4137 -1 7 {} N 0.0 {0.45851073222 0.410058037026 0.322016008274} N1 4138 -1 14 {} Si 0.0 {0.475870536357 0.409332925783 0.328891532246} Si4 4139 -1 14 {} Si 0.0 {0.448161248794 0.42019551187 0.333935070141} Si5 4140 -1 7 {} N 0.0 {0.48526559885 0.423527397726 0.322444998877} N2 4141 -1 7 {} N 0.0 {0.483968003155 0.393390049661 0.323850170065} N3 4142 -1 7 {} N 0.0 {0.475788790972 0.410844703585 0.347340730798} N4 4143 -1 7 {} N 0.0 {0.456658037943 0.436407052033 0.337052181653} N5 4144 -1 7 {} N 0.0 {0.431360564996 0.423375447305 0.32663242174} N6 4145 -1 7 {} N 0.0 {0.446308856725 0.411273948754 0.350011988773} N7 4146 -1 8 {} O 0.0 {0.4349213059 0.368859142787 0.370158130608} O3 4147 -1 6 {} C 0.0 {0.410383937167 0.386306938902 0.369912239698} C1 4148 -1 8 {} O 0.0 {0.434472659935 0.394419432836 0.355088048615} O4 4149 -1 7 {} N 0.0 {0.448191651471 0.387958348152 0.303758156457} N8 4150 -1 8 {} O 0.0 {0.464707754986 0.381055252192 0.328020452705} O5 4151 -1 1 {} H 0.0 {0.425926761978 0.369538100675 0.319331428659} H1 4152 -1 1 {} H 0.0 {0.442759662374 0.365061572139 0.334917157274} H2 4153 -1 1 {} H 0.0 {0.49470691798 0.42344238737 0.32719843012} H3 4154 -1 1 {} H 0.0 {0.480131807082 0.432091635755 0.326112474764} H4 4155 -1 1 {} H 0.0 {0.478952154525 0.389938747968 0.315095728628} H5 4156 -1 1 {} H 0.0 {0.481810649845 0.386258007925 0.33161831872} H6 4157 -1 1 {} H 0.0 {0.479912278013 0.420424226435 0.349587748005} H7 4158 -1 1 {} H 0.0 {0.482823172638 0.403607145336 0.351070414706} H8 4159 -1 1 {} H 0.0 {0.466732446407 0.434202386556 0.339726810955} H9 4160 -1 1 {} H 0.0 {0.452043218498 0.440672684184 0.345786506368} H10 4161 -1 1 {} H 0.0 {0.431448317806 0.433300193294 0.322740155747} H11 4162 -1 1 {} H 0.0 {0.424386693125 0.423378866629 0.334836009095} H12 4163 -1 1 {} H 0.0 {0.439540397375 0.416862556923 0.356011363808} H13 4164 -1 1 {} H 0.0 {0.455852356919 0.411749940068 0.354894581665} H14 4165 -1 1 {} H 0.0 {0.431614576722 0.369185723515 0.380094951288} H15 4166 -1 1 {} H 0.0 {0.412370936919 0.384073978541 0.380172780739} H16 4167 -1 1 {} H 0.0 {0.401187638383 0.38142521736 0.366670660219} H17 4168 -1 1 {} H 0.0 {0.409402314918 0.397018860986 0.368678652774} H18 4169 -1 1 {} H 0.0 {0.434971100581 0.401346541189 0.362942309087} H19 4170 -1 1 {} H 0.0 {0.456739842128 0.390523667799 0.297931250494} H20 4171 -1 1 {} H 0.0 {0.440231294703 0.394420688487 0.300519545352} H21 4172 -1 1 {} H 0.0 {0.460917234359 0.376157181544 0.336494652272} H22 4173 -1 8 {} O 0.0 {0.669379356193 0.658407492072 0.549537398414} O2 4174 -1 14 {} Si 0.0 {0.652653782948 0.662739158324 0.555823608078} Si3 4175 -1 7 {} N 0.0 {0.653886914075 0.667579711879 0.573685109812} N1 4176 -1 14 {} Si 0.0 {0.639195299935 0.660249599926 0.582452310915} Si5 4177 -1 7 {} N 0.0 {0.666227412567 0.6410111334 0.581631087653} N4 4178 -1 7 {} N 0.0 {0.62475871425 0.65952176924 0.570781115715} N5 4179 -1 7 {} N 0.0 {0.643301588478 0.643086573675 0.588289683956} N6 4180 -1 7 {} N 0.0 {0.634787779965 0.670882245681 0.597043519345} N7 4181 -1 8 {} O 0.0 {0.653456373699 0.69092349587 0.530902409991} O4 4182 -1 7 {} N 0.0 {0.641405727535 0.648025459681 0.554060199073} N8 4183 -1 8 {} O 0.0 {0.64599262812 0.676786146742 0.546050350211} O5 4184 -1 1 {} H 0.0 {0.663007543356 0.638998785707 0.591581367672} H7 4185 -1 1 {} H 0.0 {0.67582994977 0.636285425415 0.58050275183} H8 4186 -1 1 {} H 0.0 {0.618593747462 0.667952953403 0.572871494355} H9 4187 -1 1 {} H 0.0 {0.619052309527 0.650808278961 0.573477765649} H10 4188 -1 1 {} H 0.0 {0.638707151828 0.63626373097 0.581511443746} H11 4189 -1 1 {} H 0.0 {0.63835419706 0.641788905786 0.597758119417} H12 4190 -1 1 {} H 0.0 {0.634467513767 0.664538172584 0.605591420993} H13 4191 -1 1 {} H 0.0 {0.624726907886 0.674337910236 0.595411142883} H14 4192 -1 1 {} H 0.0 {0.646648877306 0.697993429244 0.534626715063} H19 4193 -1 1 {} H 0.0 {0.631480957326 0.651384001192 0.55593306685} H20 4194 -1 1 {} H 0.0 {0.643908578113 0.641250368614 0.562032518601} H21 4195 -1 1 {} H 0.0 {0.649775930644 0.676284083924 0.536270282298} H22 4196 -1 14 {} Si 0.0 {0.560882773159 0.373207177743 0.548813062519} Si1 4197 -1 8 {} O 0.0 {0.554724476217 0.359885331895 0.537757117418} O1 4198 -1 14 {} Si 0.0 {0.537631522008 0.353017097301 0.542347215253} Si2 4199 -1 8 {} O 0.0 {0.529693034912 0.347878460784 0.526548157867} O2 4200 -1 14 {} Si 0.0 {0.542153860898 0.338493134317 0.516768469974} Si3 4201 -1 7 {} N 0.0 {0.543397195327 0.344356649398 0.498738806044} N1 4202 -1 14 {} Si 0.0 {0.559850543254 0.353771041432 0.496290448089} Si4 4203 -1 14 {} Si 0.0 {0.527849533573 0.355162080101 0.493913201615} Si5 4204 -1 7 {} N 0.0 {0.556666445781 0.372138327518 0.493327441529} N2 4205 -1 7 {} N 0.0 {0.569149988741 0.346622315018 0.481561181286} N3 4206 -1 7 {} N 0.0 {0.57073399009 0.351672223999 0.511271174665} N4 4207 -1 7 {} N 0.0 {0.516837735696 0.344682979194 0.483242040365} N5 4208 -1 7 {} N 0.0 {0.518339711842 0.36014541408 0.509050605955} N6 4209 -1 7 {} N 0.0 {0.532026875021 0.370816553371 0.484075136591} N7 4210 -1 8 {} O 0.0 {0.55384195371 0.389506974958 0.544630773691} O3 4211 -1 6 {} C 0.0 {0.581942507006 0.374294303668 0.547122486581} C1 4212 -1 8 {} O 0.0 {0.556111271389 0.36942374335 0.566453202524} O4 4213 -1 7 {} N 0.0 {0.537553654871 0.320588641673 0.516934363458} N8 4214 -1 8 {} O 0.0 {0.558494207282 0.340275802223 0.524926462367} O5 4215 -1 1 {} H 0.0 {0.529253500449 0.362829890918 0.548886128637} H1 4216 -1 1 {} H 0.0 {0.539172903056 0.341651900666 0.550874947051} H2 4217 -1 1 {} H 0.0 {0.559719875774 0.374342610649 0.48345771383} H3 4218 -1 1 {} H 0.0 {0.563330303761 0.377671612418 0.49980133183} H4 4219 -1 1 {} H 0.0 {0.562177959233 0.341333150494 0.475543160121} H5 4220 -1 1 {} H 0.0 {0.576183535741 0.339375298125 0.485410935119} H6 4221 -1 1 {} H 0.0 {0.574414320047 0.341647513368 0.511134717909} H7 4222 -1 1 {} H 0.0 {0.56443546115 0.352475965528 0.519805529184} H8 4223 -1 1 {} H 0.0 {0.515569941106 0.349854674899 0.473999084402} H9 4224 -1 1 {} H 0.0 {0.507207764821 0.344489010141 0.487985008923} H10 4225 -1 1 {} H 0.0 {0.520749895774 0.353330086113 0.516675729129} H11 4226 -1 1 {} H 0.0 {0.507915746425 0.358641585775 0.506738773202} H12 4227 -1 1 {} H 0.0 {0.52329128517 0.376959785023 0.483998749402} H13 4228 -1 1 {} H 0.0 {0.533676001739 0.367780193353 0.473909801003} H14 4229 -1 1 {} H 0.0 {0.551730538407 0.394781908174 0.553489974242} H15 4230 -1 1 {} H 0.0 {0.584962762654 0.384735916407 0.545735304875} H16 4231 -1 1 {} H 0.0 {0.585376882164 0.368734817 0.538689575399} H17 4232 -1 1 {} H 0.0 {0.58671976667 0.370419408597 0.556095941901} H18 4233 -1 1 {} H 0.0 {0.551495124438 0.37785007272 0.570717431736} H19 4234 -1 1 {} H 0.0 {0.546452035489 0.315094886069 0.519040350596} H20 4235 -1 1 {} H 0.0 {0.534716208253 0.318091808608 0.50690006596} H21 4236 -1 1 {} H 0.0 {0.561201858089 0.331147333479 0.529303455721} H22 4237 -1 14 {} Si 0.0 {0.322456141605 0.683175220836 0.548844422171} Si1 4238 -1 6 {} C 0.0 {0.321290430445 0.675096546178 0.531847903021} C1 4239 -1 8 {} O 0.0 {0.330612156036 0.671492744004 0.560458613513} O4 4240 -1 1 {} H 0.0 {0.331721192138 0.698881013375 0.506726281727} H4 4241 -1 1 {} H 0.0 {0.311727051912 0.680489641505 0.507834222837} H8 4242 -1 1 {} H 0.0 {0.341369330789 0.696472888419 0.542228380025} H15 4243 -1 1 {} H 0.0 {0.325917106247 0.681595840344 0.524395279934} H16 4244 -1 1 {} H 0.0 {0.310818769494 0.673474472726 0.529284698137} H17 4245 -1 1 {} H 0.0 {0.32649901045 0.665521912828 0.532016285226} H18 4246 -1 1 {} H 0.0 {0.338435449712 0.66653849965 0.555485296008} H19 4247 -1 1 {} H 0.0 {0.38174019202 0.724507164529 0.548604133038} H8 4248 -1 14 {} Si 0.0 {0.281695007586 0.507551428243 0.386702201289} Si1 4249 -1 8 {} O 0.0 {0.277676062595 0.499061193925 0.402716406079} O1 4250 -1 14 {} Si 0.0 {0.291509455365 0.487979487081 0.40811668785} Si2 4251 -1 8 {} O 0.0 {0.288840180913 0.483053263413 0.425858984777} O2 4252 -1 14 {} Si 0.0 {0.297504541105 0.467099743023 0.429298323326} Si3 4253 -1 7 {} N 0.0 {0.289793897893 0.453576489489 0.419213934777} N1 4254 -1 14 {} Si 0.0 {0.299246535836 0.454559539287 0.403783190136} Si4 4255 -1 14 {} Si 0.0 {0.272765313206 0.458903292583 0.415545650775} Si5 4256 -1 7 {} N 0.0 {0.31305232597 0.46719282618 0.407985437905} N2 4257 -1 7 {} N 0.0 {0.288737316046 0.46094675598 0.389695875205} N3 4258 -1 7 {} N 0.0 {0.305506113322 0.437231153232 0.399351940078} N4 4259 -1 7 {} N 0.0 {0.263312456509 0.460236975065 0.431463707427} N5 4260 -1 7 {} N 0.0 {0.273579235171 0.475555493762 0.407142583514} N6 4261 -1 7 {} N 0.0 {0.264601896559 0.446447823387 0.403920351048} N7 4262 -1 8 {} O 0.0 {0.295785195436 0.499329349059 0.378480711935} O3 4263 -1 6 {} C 0.0 {0.28616778338 0.525510079634 0.389960598959} C1 4264 -1 7 {} N 0.0 {0.296573225334 0.462914407947 0.447317312885} N8 4265 -1 8 {} O 0.0 {0.31512033041 0.468890925923 0.424376683176} O5 4266 -1 1 {} H 0.0 {0.303974832445 0.494886156029 0.406816088712} H1 4267 -1 1 {} H 0.0 {0.291725912021 0.476256753714 0.399950645197} H2 4268 -1 1 {} H 0.0 {0.309619483299 0.476885967923 0.405000230494} H3 4269 -1 1 {} H 0.0 {0.321610889211 0.465087933462 0.402157790763} H4 4270 -1 1 {} H 0.0 {0.281065566648 0.453912327089 0.387972198613} H5 4271 -1 1 {} H 0.0 {0.294873283494 0.460706033627 0.38095048785} H6 4272 -1 1 {} H 0.0 {0.314292579739 0.435338509492 0.404827638119} H7 4273 -1 1 {} H 0.0 {0.308266842136 0.437351416502 0.388784403521} H8 4274 -1 1 {} H 0.0 {0.255026887595 0.466618134799 0.429694235259} H9 4275 -1 1 {} H 0.0 {0.269731140762 0.465378989916 0.438415787791} H10 4276 -1 1 {} H 0.0 {0.273997177521 0.482968292902 0.414758513025} H11 4277 -1 1 {} H 0.0 {0.26424550665 0.476934001802 0.401991612917} H12 4278 -1 1 {} H 0.0 {0.302922468588 0.5065822242 0.375752833186} H15 4279 -1 1 {} H 0.0 {0.295805278947 0.527745496422 0.385355719265} H16 4280 -1 1 {} H 0.0 {0.286791601315 0.527214151494 0.400693440938} H17 4281 -1 1 {} H 0.0 {0.278518523442 0.531986128755 0.385681167957} H18 4282 -1 1 {} H 0.0 {0.287067513978 0.466094167084 0.450799007531} H20 4283 -1 1 {} H 0.0 {0.303891527758 0.4690601385 0.452273476901} H21 4284 -1 1 {} H 0.0 {0.318830398316 0.459638296922 0.421176845767} H22 4285 -1 14 {} Si 0.0 {0.630387043093 0.599243048072 0.541450628452} Si1 4286 -1 8 {} O 0.0 {0.625390360519 0.600610989947 0.559532113318} O1 4287 -1 14 {} Si 0.0 {0.607402456803 0.596200446693 0.561965665585} Si2 4288 -1 8 {} O 0.0 {0.605041841122 0.586667936833 0.578464818355} O2 4289 -1 14 {} Si 0.0 {0.598523502828 0.568612980609 0.577677673427} Si3 4290 -1 7 {} N 0.0 {0.61085704508 0.557417810114 0.568838864354} N1 4291 -1 14 {} Si 0.0 {0.609851296096 0.540758546219 0.577126662691} Si4 4292 -1 14 {} Si 0.0 {0.627723182813 0.563980429731 0.572839537865} Si5 4293 -1 7 {} N 0.0 {0.619606123778 0.528213998233 0.567342281777} N2 4294 -1 7 {} N 0.0 {0.592045600912 0.535443503938 0.578092083308} N3 4295 -1 7 {} N 0.0 {0.617078009261 0.542148845601 0.594317708201} N4 4296 -1 7 {} N 0.0 {0.626008990744 0.577881260212 0.585040561954} N5 4297 -1 7 {} N 0.0 {0.638001320299 0.550397144546 0.58033955209} N6 4298 -1 7 {} N 0.0 {0.635925663223 0.570149400163 0.557381990764} N7 4299 -1 8 {} O 0.0 {0.619530615266 0.609864204284 0.531007824453} O3 4300 -1 6 {} C 0.0 {0.628732335194 0.580975470185 0.535890291714} C1 4301 -1 8 {} O 0.0 {0.647834983158 0.604792243828 0.539511055396} O4 4302 -1 7 {} N 0.0 {0.581810514798 0.567458290578 0.569612422842} N8 4303 -1 8 {} O 0.0 {0.596998081702 0.562421485787 0.594961798342} O5 4304 -1 1 {} H 0.0 {0.60305342119 0.588830203384 0.55085895376} H1 4305 -1 1 {} H 0.0 {0.599848406826 0.608332075109 0.562649297827} H2 4306 -1 1 {} H 0.0 {0.617159430244 0.51856859037 0.571208782145} H3 4307 -1 1 {} H 0.0 {0.629993258652 0.529878292343 0.569654087138} H4 4308 -1 1 {} H 0.0 {0.587299306215 0.538700964416 0.569126143538} H5 4309 -1 1 {} H 0.0 {0.587560210276 0.541019453068 0.586093099597} H6 4310 -1 1 {} H 0.0 {0.619234360855 0.532295318474 0.597746485484} H7 4311 -1 1 {} H 0.0 {0.609296443352 0.545984753347 0.600671921249} H8 4312 -1 1 {} H 0.0 {0.635525613033 0.582536347363 0.585892823009} H9 4313 -1 1 {} H 0.0 {0.62393209945 0.573351373369 0.594591631443} H10 4314 -1 1 {} H 0.0 {0.635455239801 0.549841584744 0.590677069797} H11 4315 -1 1 {} H 0.0 {0.648240322589 0.553661118857 0.57988208848} H12 4316 -1 1 {} H 0.0 {0.639695509318 0.561631399415 0.552202830869} H13 4317 -1 1 {} H 0.0 {0.644485600456 0.575856766091 0.560520753027} H14 4318 -1 1 {} H 0.0 {0.624633546908 0.612474549598 0.522215045251} H15 4319 -1 1 {} H 0.0 {0.619770284235 0.576614781204 0.540303588586} H16 4320 -1 1 {} H 0.0 {0.637466049941 0.575366517047 0.539209283539} H17 4321 -1 1 {} H 0.0 {0.627984542484 0.58037519182 0.525007937113} H18 4322 -1 1 {} H 0.0 {0.647968280118 0.614609700218 0.535775044635} H19 4323 -1 1 {} H 0.0 {0.574773813157 0.571777869153 0.576350926116} H20 4324 -1 1 {} H 0.0 {0.5793835312 0.556928128301 0.569107502109} H21 4325 -1 1 {} H 0.0 {0.587559970298 0.564891964941 0.598754918677} H22 4326 -1 14 {} Si 0.0 {0.586395373704 0.321534076471 0.439013993057} Si1 4327 -1 8 {} O 0.0 {0.582161020523 0.306037888198 0.447921164514} O1 4328 -1 14 {} Si 0.0 {0.589465924134 0.306350369237 0.464814786084} Si2 4329 -1 8 {} O 0.0 {0.590436506818 0.323609266078 0.471034816201} O2 4330 -1 14 {} Si 0.0 {0.574559803205 0.332652337285 0.46833699296} Si3 4331 -1 7 {} N 0.0 {0.578900201305 0.350980026656 0.467775095556} N1 4332 -1 14 {} Si 0.0 {0.594840065046 0.352302562446 0.477363460344} Si4 4333 -1 14 {} Si 0.0 {0.566450609534 0.360950135173 0.47713011773} Si5 4334 -1 7 {} N 0.0 {0.595950994366 0.337953548431 0.489120059413} N2 4335 -1 7 {} N 0.0 {0.595250448061 0.368242413014 0.48699030775} N3 4336 -1 7 {} N 0.0 {0.609204736607 0.351707460292 0.465531086609} N4 4337 -1 7 {} N 0.0 {0.561142416676 0.375714114485 0.467114549637} N5 4338 -1 7 {} N 0.0 {0.551542940179 0.350132164159 0.480556993425} N6 4339 -1 7 {} N 0.0 {0.575034631329 0.366823598372 0.492813647882} N7 4340 -1 8 {} O 0.0 {0.582525864765 0.335930637014 0.449848707775} O3 4341 -1 6 {} C 0.0 {0.576269828206 0.322492906005 0.423168750035} C1 4342 -1 8 {} O 0.0 {0.604348095939 0.321577463996 0.434838407807} O4 4343 -1 7 {} N 0.0 {0.562538547383 0.328380565262 0.482297084993} N8 4344 -1 8 {} O 0.0 {0.567235655243 0.327600647158 0.452245076167} O5 4345 -1 1 {} H 0.0 {0.602653207085 0.30081954558 0.464354143911} H1 4346 -1 1 {} H 0.0 {0.581382234723 0.298589487178 0.473659346185} H2 4347 -1 1 {} H 0.0 {0.596350405192 0.341959144073 0.498972219946} H3 4348 -1 1 {} H 0.0 {0.605441322545 0.333227466233 0.487334780409} H4 4349 -1 1 {} H 0.0 {0.589797548234 0.375472693482 0.481393767376} H5 4350 -1 1 {} H 0.0 {0.605514247676 0.371529820587 0.487077701611} H6 4351 -1 1 {} H 0.0 {0.615164368472 0.343298647158 0.468223531615} H7 4352 -1 1 {} H 0.0 {0.61517696415 0.360429702248 0.467457240174} H8 4353 -1 1 {} H 0.0 {0.552167702407 0.37946756014 0.471542195911} H9 4354 -1 1 {} H 0.0 {0.558425699681 0.372043190646 0.457418262703} H10 4355 -1 1 {} H 0.0 {0.544739040239 0.351558556166 0.472520792606} H11 4356 -1 1 {} H 0.0 {0.546788498368 0.35392562674 0.489054021529} H12 4357 -1 1 {} H 0.0 {0.56899678739 0.364565740838 0.501039204763} H13 4358 -1 1 {} H 0.0 {0.575624133349 0.377560139503 0.492223344329} H14 4359 -1 1 {} H 0.0 {0.579181958365 0.344015365562 0.444044886668} H15 4360 -1 1 {} H 0.0 {0.566476155116 0.326734429066 0.425362428098} H16 4361 -1 1 {} H 0.0 {0.575047035235 0.312479187435 0.419044861997} H17 4362 -1 1 {} H 0.0 {0.581415624482 0.328781929058 0.41591989715} H18 4363 -1 1 {} H 0.0 {0.606034808708 0.32800458735 0.42668793501} H19 4364 -1 1 {} H 0.0 {0.552673061275 0.329962930128 0.478616949719} H20 4365 -1 1 {} H 0.0 {0.564017303381 0.335498300289 0.490238155229} H21 4366 -1 1 {} H 0.0 {0.563124934947 0.317997916141 0.453165880577} H22 4367 -1 14 {} Si 0.0 {0.626605647565 0.502890484915 0.401552644929} Si1 4368 -1 8 {} O 0.0 {0.611566253523 0.499831508605 0.411847556531} O1 4369 -1 14 {} Si 0.0 {0.615463393284 0.504016925761 0.432236911243} Si2 4370 -1 8 {} O 0.0 {0.601797538873 0.51142236267 0.444616145712} O2 4371 -1 14 {} Si 0.0 {0.583302392779 0.513418898424 0.440511595128} Si3 4372 -1 7 {} N 0.0 {0.574781214063 0.496370467302 0.435275231499} N1 4373 -1 14 {} Si 0.0 {0.564425586326 0.489385345399 0.449258854127} Si4 4374 -1 14 {} Si 0.0 {0.587057471667 0.482364338722 0.431597545932} Si5 4375 -1 7 {} N 0.0 {0.567287769729 0.471057029465 0.450246274698} N2 4376 -1 7 {} N 0.0 {0.54680210284 0.492154604223 0.445363478746} N3 4377 -1 7 {} N 0.0 {0.568584828703 0.497004757291 0.465726010143} N4 4378 -1 7 {} N 0.0 {0.57870895115 0.466223783568 0.435593614528} N5 4379 -1 7 {} N 0.0 {0.592656029 0.48162523958 0.413525306908} N6 4380 -1 7 {} N 0.0 {0.601199192093 0.484163195961 0.442691547192} N7 4381 -1 8 {} O 0.0 {0.634319378236 0.486874003552 0.39689055382} O3 4382 -1 6 {} C 0.0 {0.638900934931 0.513169283311 0.411508349343} C1 4383 -1 8 {} O 0.0 {0.621648783013 0.511935551545 0.386552584269} O4 4384 -1 7 {} N 0.0 {0.581926813419 0.525360703289 0.426237280357} N8 4385 -1 8 {} O 0.0 {0.574516899934 0.520672788186 0.454996214509} O5 4386 -1 1 {} H 0.0 {0.626474340822 0.513115724385 0.432554320366} H1 4387 -1 1 {} H 0.0 {0.620101402099 0.491858268388 0.43886217572} H2 4388 -1 1 {} H 0.0 {0.560944130969 0.466487841594 0.442987038074} H3 4389 -1 1 {} H 0.0 {0.563678679387 0.467897703981 0.459869805032} H4 4390 -1 1 {} H 0.0 {0.545223366792 0.48827483039 0.43557869046} H5 4391 -1 1 {} H 0.0 {0.545252343356 0.502768713817 0.444891540011} H6 4392 -1 1 {} H 0.0 {0.578512285199 0.493944942986 0.468201729948} H7 4393 -1 1 {} H 0.0 {0.562096447043 0.492411063635 0.472963806944} H8 4394 -1 1 {} H 0.0 {0.585218345679 0.460832746326 0.442085057996} H9 4395 -1 1 {} H 0.0 {0.578229330727 0.460641279255 0.426417050096} H10 4396 -1 1 {} H 0.0 {0.58390940425 0.480229659917 0.407504054349} H11 4397 -1 1 {} H 0.0 {0.598472873525 0.472627079165 0.412509801432} H12 4398 -1 1 {} H 0.0 {0.608751845421 0.487432636131 0.436863508624} H13 4399 -1 1 {} H 0.0 {0.603832801731 0.4742933927 0.44598051005} H14 4400 -1 1 {} H 0.0 {0.643554081221 0.485921891662 0.401738562467} H15 4401 -1 1 {} H 0.0 {0.638807853535 0.50987468169 0.421907971158} H16 4402 -1 1 {} H 0.0 {0.636089556413 0.523688993791 0.411026634898} H17 4403 -1 1 {} H 0.0 {0.648903886681 0.511881944236 0.407400971806} H18 4404 -1 1 {} H 0.0 {0.62521446601 0.521695217526 0.387140290449} H19 4405 -1 1 {} H 0.0 {0.572027701678 0.529166621839 0.426099484743} H20 4406 -1 1 {} H 0.0 {0.583220794867 0.51960346693 0.417232065307} H21 4407 -1 1 {} H 0.0 {0.579730026971 0.529156091955 0.458337819646} H22 4408 -1 14 {} Si 0.0 {0.528034315002 0.330991041769 0.445465968362} Si1 4409 -1 8 {} O 0.0 {0.536633279891 0.345812518462 0.45225345224} O1 4410 -1 14 {} Si 0.0 {0.547730515772 0.352957683865 0.439393079611} Si2 4411 -1 8 {} O 0.0 {0.537839298749 0.363152768075 0.42767460492} O2 4412 -1 14 {} Si 0.0 {0.54026189876 0.38110502037 0.431237543313} Si3 4413 -1 7 {} N 0.0 {0.530430027846 0.391035415319 0.418894286054} N1 4414 -1 14 {} Si 0.0 {0.539111650035 0.407229128596 0.415823486688} Si4 4415 -1 14 {} Si 0.0 {0.514056769648 0.394866676173 0.426734289843} Si5 4416 -1 7 {} N 0.0 {0.526528335431 0.420137471664 0.411219787458} N2 4417 -1 7 {} N 0.0 {0.551202922217 0.405180293702 0.401857863016} N3 4418 -1 7 {} N 0.0 {0.548147786826 0.412629144272 0.431114476117} N4 4419 -1 7 {} N 0.0 {0.504986935236 0.407337452968 0.416370686155} N5 4420 -1 7 {} N 0.0 {0.504099127019 0.379261244798 0.427759771931} N6 4421 -1 7 {} N 0.0 {0.516694804091 0.401731823483 0.443830866608} N7 4422 -1 8 {} O 0.0 {0.512618543904 0.327928160453 0.455034704028} O3 4423 -1 6 {} C 0.0 {0.539296437442 0.315987777356 0.446808412884} C1 4424 -1 8 {} O 0.0 {0.523797425056 0.333909848893 0.427811684997} O4 4425 -1 7 {} N 0.0 {0.558287243618 0.385391888116 0.429862520951} N8 4426 -1 8 {} O 0.0 {0.534348145769 0.384828273347 0.448266561124} O5 4427 -1 1 {} H 0.0 {0.554130332365 0.342365580199 0.432225910473} H1 4428 -1 1 {} H 0.0 {0.557638336434 0.361128923377 0.445646343065} H2 4429 -1 1 {} H 0.0 {0.529344092231 0.424053217354 0.401719681512} H3 4430 -1 1 {} H 0.0 {0.52761625057 0.428174409083 0.418290120592} H4 4431 -1 1 {} H 0.0 {0.552576060745 0.394718495757 0.400382628411} H5 4432 -1 1 {} H 0.0 {0.560617357682 0.40904669453 0.40533464267} H6 4433 -1 1 {} H 0.0 {0.544816393188 0.422499851231 0.433397593509} H7 4434 -1 1 {} H 0.0 {0.558533700706 0.413464515568 0.428418102172} H8 4435 -1 1 {} H 0.0 {0.500196847626 0.414117440418 0.423052787857} H9 4436 -1 1 {} H 0.0 {0.497157881099 0.401997308536 0.411294472148} H10 4437 -1 1 {} H 0.0 {0.494680961443 0.381245777294 0.423216759657} H11 4438 -1 1 {} H 0.0 {0.502194294993 0.377496762021 0.438195228242} H12 4439 -1 1 {} H 0.0 {0.519059096245 0.393537220302 0.450204346376} H13 4440 -1 1 {} H 0.0 {0.507176838042 0.405528008809 0.447133534237} H14 4441 -1 1 {} H 0.0 {0.514284492463 0.320205136011 0.461954293105} H15 4442 -1 1 {} H 0.0 {0.538745294999 0.311918603884 0.456908891499} H16 4443 -1 1 {} H 0.0 {0.549547318182 0.318940600246 0.44463604372} H17 4444 -1 1 {} H 0.0 {0.536111915216 0.308398927625 0.439658015154} H18 4445 -1 1 {} H 0.0 {0.529879337269 0.34155860289 0.423982719382} H19 4446 -1 1 {} H 0.0 {0.558929939029 0.39592279788 0.428429014049} H20 4447 -1 1 {} H 0.0 {0.561847948711 0.380844499262 0.420802758844} H21 4448 -1 1 {} H 0.0 {0.536118038386 0.376537304024 0.454469777774} H22 4449 -1 7 {} N 0.0 {0.69731140805 0.419774203418 0.567673078131} N2 4450 -1 1 {} H 0.0 {0.705498168397 0.426370096918 0.565879560419} H3 4451 -1 1 {} H 0.0 {0.69109267675 0.424557708949 0.575029731971} H4 4452 -1 1 {} H 0.0 {0.69730932368 0.392841735291 0.555786203873} H7 4453 -1 1 {} H 0.0 {0.690453565006 0.38567820902 0.569793522795} H8 4454 -1 14 {} Si 0.0 {0.419185995488 0.396660710124 0.388137504491} Si1 4455 -1 8 {} O 0.0 {0.427076522005 0.393027798565 0.371581206908} O1 4456 -1 14 {} Si 0.0 {0.420583271782 0.403499833687 0.357268915766} Si2 4457 -1 8 {} O 0.0 {0.4331782091 0.402551851425 0.343365048058} O2 4458 -1 14 {} Si 0.0 {0.448623650924 0.395459521431 0.350941823396} Si3 4459 -1 7 {} N 0.0 {0.448038658153 0.400531784873 0.368970888802} N1 4460 -1 14 {} Si 0.0 {0.455360725496 0.417375843033 0.371431952412} Si4 4461 -1 14 {} Si 0.0 {0.458365703271 0.389255842755 0.378457168887} Si5 4462 -1 7 {} N 0.0 {0.442814533304 0.430415744037 0.367802629667} N2 4463 -1 7 {} N 0.0 {0.469928563355 0.419617682076 0.360427578542} N3 4464 -1 7 {} N 0.0 {0.46072556617 0.418913715109 0.389130070323} N4 4465 -1 7 {} N 0.0 {0.466129990496 0.399293255411 0.392670299174} N5 4466 -1 7 {} N 0.0 {0.447608762215 0.375510808002 0.385119250288} N6 4467 -1 7 {} N 0.0 {0.471758949509 0.382359114689 0.367334522796} N7 4468 -1 8 {} O 0.0 {0.415854058859 0.414813506843 0.3902274794} O3 4469 -1 6 {} C 0.0 {0.431040798029 0.391209995682 0.401751168187} C1 4470 -1 8 {} O 0.0 {0.403284835639 0.386806612312 0.389819981734} O4 4471 -1 7 {} N 0.0 {0.463745907288 0.401754300854 0.342630057045} N8 4472 -1 8 {} O 0.0 {0.448277723476 0.377066145062 0.34965881932} O5 4473 -1 1 {} H 0.0 {0.419082475072 0.417069847764 0.361395913911} H1 4474 -1 1 {} H 0.0 {0.408008563957 0.398353834923 0.352782535039} H2 4475 -1 1 {} H 0.0 {0.448141607956 0.439115488241 0.364764035515} H3 4476 -1 1 {} H 0.0 {0.438094032128 0.432828890232 0.377179065086} H4 4477 -1 1 {} H 0.0 {0.478530553904 0.420214340371 0.366681464543} H5 4478 -1 1 {} H 0.0 {0.468808923683 0.429269191721 0.355816959926} H6 4479 -1 1 {} H 0.0 {0.451988501718 0.417946315713 0.395169879284} H7 4480 -1 1 {} H 0.0 {0.464245071473 0.428973535707 0.39042390221} H8 4481 -1 1 {} H 0.0 {0.476509332475 0.40031669033 0.390560702441} H9 4482 -1 1 {} H 0.0 {0.465448772811 0.393328209819 0.40169987866} H10 4483 -1 1 {} H 0.0 {0.451860163835 0.372269900558 0.394312234964} H11 4484 -1 1 {} H 0.0 {0.448371779304 0.367289980388 0.378169076238} H12 4485 -1 1 {} H 0.0 {0.466979266393 0.37662885728 0.359704499015} H13 4486 -1 1 {} H 0.0 {0.477542071604 0.375462289565 0.373254217296} H14 4487 -1 1 {} H 0.0 {0.42495389175 0.419927973232 0.391396498749} H15 4488 -1 1 {} H 0.0 {0.425660176534 0.390480695238 0.411212898379} H16 4489 -1 1 {} H 0.0 {0.439074302661 0.398504311766 0.402712336329} H17 4490 -1 1 {} H 0.0 {0.435226172125 0.381478672413 0.399217328296} H18 4491 -1 1 {} H 0.0 {0.4034288437 0.381008650774 0.398570559398} H19 4492 -1 1 {} H 0.0 {0.471846742186 0.395835557277 0.346203168771} H20 4493 -1 1 {} H 0.0 {0.462689650116 0.39937655551 0.332280235739} H21 4494 -1 1 {} H 0.0 {0.439056026488 0.373470496459 0.353068893886} H22 4495 -1 14 {} Si 0.0 {0.341298344752 0.51633143062 0.525810830704} Si1 4496 -1 8 {} O 0.0 {0.344595985659 0.506206844203 0.510375483917} O1 4497 -1 14 {} Si 0.0 {0.360682697936 0.510966253081 0.502097899835} Si2 4498 -1 8 {} O 0.0 {0.374545060385 0.500003344489 0.507911959944} O2 4499 -1 14 {} Si 0.0 {0.370267128172 0.493939803474 0.52452584098} Si3 4500 -1 7 {} N 0.0 {0.383334561343 0.498626323494 0.53685184848} N1 4501 -1 14 {} Si 0.0 {0.393629843449 0.512299334361 0.52946829283} Si4 4502 -1 14 {} Si 0.0 {0.394173842109 0.483773219798 0.539140807483} Si5 4503 -1 7 {} N 0.0 {0.397994762474 0.524571151933 0.542758004312} N2 4504 -1 7 {} N 0.0 {0.383932528251 0.520906097514 0.516133624476} N3 4505 -1 7 {} N 0.0 {0.409206104582 0.505229602268 0.522233590473} N4 4506 -1 7 {} N 0.0 {0.396558813384 0.475295292056 0.522788487349} N5 4507 -1 7 {} N 0.0 {0.410645716661 0.489025441705 0.545916612257} N6 4508 -1 7 {} N 0.0 {0.385969562501 0.472086291881 0.55105643281} N7 4509 -1 8 {} O 0.0 {0.328617778361 0.507757205996 0.535991495383} O3 4510 -1 6 {} C 0.0 {0.335139469571 0.533407802583 0.521289223166} C1 4511 -1 8 {} O 0.0 {0.35688138058 0.51793174789 0.535586329296} O4 4512 -1 7 {} N 0.0 {0.367881746215 0.475530637167 0.524238681777} N8 4513 -1 8 {} O 0.0 {0.354944226034 0.502006494565 0.528966168693} O5 4514 -1 1 {} H 0.0 {0.363777066375 0.524539882854 0.505123594467} H1 4515 -1 1 {} H 0.0 {0.359218650075 0.509487930921 0.487955437362} H2 4516 -1 1 {} H 0.0 {0.399336226848 0.534024432506 0.538020461501} H3 4517 -1 1 {} H 0.0 {0.407617794746 0.521677129365 0.546594892755} H4 4518 -1 1 {} H 0.0 {0.373656425227 0.520451838241 0.518903257155} H5 4519 -1 1 {} H 0.0 {0.38497666744 0.51496849871 0.507229070611} H6 4520 -1 1 {} H 0.0 {0.416697581381 0.505736499158 0.529790318048} H7 4521 -1 1 {} H 0.0 {0.412292049094 0.511950030541 0.514415624306} H8 4522 -1 1 {} H 0.0 {0.390516284577 0.466520218672 0.52287527739} H9 4523 -1 1 {} H 0.0 {0.406776717412 0.471973107026 0.522509278687} H10 4524 -1 1 {} H 0.0 {0.417081803194 0.490703510604 0.537602238331} H11 4525 -1 1 {} H 0.0 {0.414633062803 0.480554206931 0.55121286156} H12 4526 -1 1 {} H 0.0 {0.393633584123 0.46774946796 0.55702662867} H13 4527 -1 1 {} H 0.0 {0.381773718154 0.464114541418 0.545170868227} H14 4528 -1 1 {} H 0.0 {0.323196093677 0.501113626173 0.529922997642} H15 4529 -1 1 {} H 0.0 {0.333532213814 0.539172783925 0.530381629181} H16 4530 -1 1 {} H 0.0 {0.325797108015 0.532542368338 0.515852771953} H17 4531 -1 1 {} H 0.0 {0.342531945942 0.53842598621 0.515093042355} H18 4532 -1 1 {} H 0.0 {0.356334232509 0.526461637768 0.541659452704} H19 4533 -1 1 {} H 0.0 {0.369691307364 0.471963079715 0.534102331047} H20 4534 -1 1 {} H 0.0 {0.375682997671 0.471508948731 0.518037108364} H21 4535 -1 1 {} H 0.0 {0.354037888379 0.510257252273 0.522712743824} H22 4536 -1 7 {} N 0.0 {0.436588034399 0.674940070826 0.662898457588} N4 4537 -1 1 {} H 0.0 {0.420762825056 0.69442356953 0.641386583143} H6 4538 -1 1 {} H 0.0 {0.446874263649 0.674454654954 0.665679093897} H7 4539 -1 1 {} H 0.0 {0.436004726294 0.671411674416 0.652746078741} H8 4540 -1 1 {} H 0.0 {0.468702421374 0.359019177999 0.68266592142} H3 4541 -1 1 {} H 0.0 {0.451705254061 0.359355833907 0.680420814408} H4 4542 -1 14 {} Si 0.0 {0.583109906283 0.402525660212 0.577501041843} Si1 4543 -1 8 {} O 0.0 {0.577664454923 0.418265486806 0.585371574645} O1 4544 -1 14 {} Si 0.0 {0.588723235646 0.431876806587 0.580017542313} Si2 4545 -1 8 {} O 0.0 {0.603796439953 0.431984953336 0.590471107445} O2 4546 -1 14 {} Si 0.0 {0.617701799366 0.438577403867 0.580597253289} Si3 4547 -1 7 {} N 0.0 {0.628648194613 0.424077125926 0.574777276004} N1 4548 -1 14 {} Si 0.0 {0.618293259696 0.408887778186 0.577113016298} Si4 4549 -1 14 {} Si 0.0 {0.644083854297 0.421309286903 0.585492081186} Si5 4550 -1 7 {} N 0.0 {0.610436178987 0.404108593094 0.560959492036} N2 4551 -1 7 {} N 0.0 {0.605064582505 0.41249692978 0.58968254267} N3 4552 -1 7 {} N 0.0 {0.62893766098 0.39496297741 0.583280347657} N4 4553 -1 7 {} N 0.0 {0.650107950836 0.436998190349 0.593334951708} N5 4554 -1 7 {} N 0.0 {0.640452372587 0.40869199718 0.598667045832} N6 4555 -1 7 {} N 0.0 {0.657593363622 0.414741237965 0.574473165601} N7 4556 -1 8 {} O 0.0 {0.578578030895 0.402667028171 0.559711868314} O3 4557 -1 6 {} C 0.0 {0.574699941379 0.388110479683 0.586053264948} C1 4558 -1 8 {} O 0.0 {0.601342561636 0.400731214164 0.579053517766} O4 4559 -1 7 {} N 0.0 {0.626487185925 0.451554428821 0.590728102439} N8 4560 -1 8 {} O 0.0 {0.610662564306 0.446611278094 0.56576804464} O5 4561 -1 1 {} H 0.0 {0.581937281063 0.444371285411 0.581321466512} H1 4562 -1 1 {} H 0.0 {0.592427669799 0.42987516517 0.566365318446} H2 4563 -1 1 {} H 0.0 {0.601966920612 0.410426889773 0.559579175363} H3 4564 -1 1 {} H 0.0 {0.606633212163 0.394121857852 0.562215624435} H4 4565 -1 1 {} H 0.0 {0.609138644959 0.419369728098 0.596684502337} H5 4566 -1 1 {} H 0.0 {0.603338394161 0.403349583607 0.59505416618} H6 4567 -1 1 {} H 0.0 {0.638262332459 0.395618449204 0.578196265671} H7 4568 -1 1 {} H 0.0 {0.624282179956 0.385838417253 0.579999048458} H8 4569 -1 1 {} H 0.0 {0.651899498252 0.444076484797 0.585504561434} H9 4570 -1 1 {} H 0.0 {0.659694022638 0.434761909287 0.59764529428} H10 4571 -1 1 {} H 0.0 {0.639933833382 0.413865638161 0.607944846893} H11 4572 -1 1 {} H 0.0 {0.649077993207 0.4022544596 0.599214917886} H12 4573 -1 1 {} H 0.0 {0.660005529628 0.404957399843 0.577880849286} H13 4574 -1 1 {} H 0.0 {0.666282283153 0.420848885968 0.576250396829} H14 4575 -1 1 {} H 0.0 {0.587216690515 0.401128534286 0.553926560659} H15 4576 -1 1 {} H 0.0 {0.581089099912 0.379310435878 0.585446767615} H16 4577 -1 1 {} H 0.0 {0.565192149759 0.386047742527 0.581175922848} H17 4578 -1 1 {} H 0.0 {0.572948065355 0.390622095666 0.596518517567} H18 4579 -1 1 {} H 0.0 {0.603828033848 0.390541100206 0.579547268141} H19 4580 -1 1 {} H 0.0 {0.636330193979 0.453095761425 0.586781086124} H20 4581 -1 1 {} H 0.0 {0.627446141702 0.447516968152 0.600617468729} H21 4582 -1 1 {} H 0.0 {0.601620140451 0.44196396307 0.563284777046} H22 4583 -1 14 {} Si 0.0 {0.503023103027 0.618722740485 0.296719980366} Si1 4584 -1 8 {} O 0.0 {0.498266113065 0.600676860327 0.296990059573} O1 4585 -1 14 {} Si 0.0 {0.48033760513 0.599107136357 0.302179094333} Si2 4586 -1 8 {} O 0.0 {0.469360042622 0.603069302777 0.287724673164} O2 4587 -1 14 {} Si 0.0 {0.475317360775 0.594007607485 0.27272920377} Si3 4588 -1 7 {} N 0.0 {0.469092967097 0.576173744517 0.272823217949} N1 4589 -1 14 {} Si 0.0 {0.464106793399 0.571963788901 0.255482223568} Si4 4590 -1 14 {} Si 0.0 {0.454014783713 0.574024681287 0.284394176528} Si5 4591 -1 7 {} N 0.0 {0.454474079936 0.556146470024 0.255573725611} N3 4592 -1 7 {} N 0.0 {0.451451340938 0.555549653244 0.287478664288} N5 4593 -1 7 {} N 0.0 {0.457422365804 0.58263959531 0.300675343718} N6 4594 -1 7 {} N 0.0 {0.438026340312 0.58049139259 0.276549799099} N7 4595 -1 8 {} O 0.0 {0.487768241906 0.629147685313 0.297584400195} O3 4596 -1 6 {} C 0.0 {0.512737748259 0.622814630869 0.280990090792} C1 4597 -1 8 {} O 0.0 {0.51353366032 0.622350017824 0.311343943753} O4 4598 -1 7 {} N 0.0 {0.493875549267 0.593814333002 0.272750946543} N8 4599 -1 8 {} O 0.0 {0.469607678489 0.602658190399 0.2576405541} O5 4600 -1 1 {} H 0.0 {0.477507727631 0.60830053012 0.31279969215} H1 4601 -1 1 {} H 0.0 {0.477817757613 0.585765087546 0.306631511825} H2 4602 -1 1 {} H 0.0 {0.460254086332 0.548991878185 0.260891546542} H5 4603 -1 1 {} H 0.0 {0.45397397005 0.552761344631 0.245391720962} H6 4604 -1 1 {} H 0.0 {0.443770898143 0.552279614434 0.280882842162} H9 4605 -1 1 {} H 0.0 {0.447580128303 0.554393930232 0.297380657978} H10 4606 -1 1 {} H 0.0 {0.464763251596 0.576860901362 0.305819450104} H11 4607 -1 1 {} H 0.0 {0.448378788494 0.582015947766 0.306556107955} H12 4608 -1 1 {} H 0.0 {0.440366785069 0.58808109717 0.26942659035} H13 4609 -1 1 {} H 0.0 {0.432366404906 0.58515370103 0.284461728237} H14 4610 -1 1 {} H 0.0 {0.484735205047 0.631835047149 0.28796362206} H15 4611 -1 1 {} H 0.0 {0.516694680526 0.63294237892 0.281705428807} H16 4612 -1 1 {} H 0.0 {0.506188865834 0.622108622966 0.272295051716} H17 4613 -1 1 {} H 0.0 {0.520982500502 0.615796998811 0.279894990664} H18 4614 -1 1 {} H 0.0 {0.522709161951 0.617363494667 0.310357654006} H19 4615 -1 1 {} H 0.0 {0.496961065682 0.59007104901 0.26328236345} H20 4616 -1 1 {} H 0.0 {0.496883389059 0.586519448794 0.280038664689} H21 4617 -1 14 {} Si 0.0 {0.418555191304 0.575895194918 0.537082379954} Si1 4618 -1 8 {} O 0.0 {0.401494856747 0.58254198076 0.535901132397} O1 4619 -1 14 {} Si 0.0 {0.393714228344 0.57620300216 0.520524019881} Si2 4620 -1 8 {} O 0.0 {0.406130414044 0.577028062431 0.506746084286} O2 4621 -1 14 {} Si 0.0 {0.398163850622 0.576874512353 0.490042702164} Si3 4622 -1 7 {} N 0.0 {0.380481050376 0.571513398727 0.49114124756} N1 4623 -1 14 {} Si 0.0 {0.373198853828 0.579401068013 0.506249154045} Si4 4624 -1 14 {} Si 0.0 {0.378985444171 0.552469425907 0.492177761369} Si5 4625 -1 7 {} N 0.0 {0.375059667755 0.568210914114 0.520999456406} N2 4626 -1 7 {} N 0.0 {0.35539426949 0.583014036023 0.503473749795} N3 4627 -1 7 {} N 0.0 {0.381998886748 0.595653045816 0.50926873103} N4 4628 -1 7 {} N 0.0 {0.377438367156 0.546020989314 0.474552625024} N5 4629 -1 7 {} N 0.0 {0.393289708613 0.543881918909 0.501465193071} N6 4630 -1 7 {} N 0.0 {0.363327674465 0.548387650967 0.50129642571} N7 4631 -1 8 {} O 0.0 {0.427470677963 0.579109317864 0.521312343643} O3 4632 -1 6 {} C 0.0 {0.417723802056 0.557367940011 0.540139681708} C1 4633 -1 8 {} O 0.0 {0.427408739306 0.584082970383 0.550948728576} O4 4634 -1 7 {} N 0.0 {0.407569527212 0.565592081888 0.478658130053} N8 4635 -1 8 {} O 0.0 {0.398567139738 0.59397578454 0.483170107427} O5 4636 -1 1 {} H 0.0 {0.38239427514 0.584075536515 0.517586081279} H1 4637 -1 1 {} H 0.0 {0.38973227547 0.562658547554 0.522489588672} H2 4638 -1 1 {} H 0.0 {0.365904417091 0.562874461929 0.522098905751} H3 4639 -1 1 {} H 0.0 {0.375920273329 0.574587817887 0.529626517851} H4 4640 -1 1 {} H 0.0 {0.353958158655 0.583472103257 0.493069372199} H5 4641 -1 1 {} H 0.0 {0.353717737415 0.592975691344 0.507221804386} H6 4642 -1 1 {} H 0.0 {0.39231775747 0.593460492743 0.510792099594} H7 4643 -1 1 {} H 0.0 {0.378258039596 0.599514949904 0.518599471684} H8 4644 -1 1 {} H 0.0 {0.369989476838 0.538646270606 0.47451054771} H9 4645 -1 1 {} H 0.0 {0.386484698571 0.541133786612 0.472005467269} H10 4646 -1 1 {} H 0.0 {0.40254894399 0.54513965239 0.496097600256} H11 4647 -1 1 {} H 0.0 {0.391129564053 0.533335794462 0.501376520622} H12 4648 -1 1 {} H 0.0 {0.361948082314 0.555903917184 0.508685256087} H13 4649 -1 1 {} H 0.0 {0.365184892707 0.53923738396 0.506603641563} H14 4650 -1 1 {} H 0.0 {0.42819069844 0.570179397164 0.515830881009} H15 4651 -1 1 {} H 0.0 {0.41342651366 0.552434028713 0.531410444131} H16 4652 -1 1 {} H 0.0 {0.411476728388 0.555405786268 0.548854088456} H17 4653 -1 1 {} H 0.0 {0.427752019939 0.553521906695 0.541912325327} H18 4654 -1 1 {} H 0.0 {0.427985366792 0.577486635957 0.559081756146} H19 4655 -1 1 {} H 0.0 {0.407281829073 0.569979369376 0.468935067745} H20 4656 -1 1 {} H 0.0 {0.401987743811 0.556460675942 0.47805049241} H21 4657 -1 1 {} H 0.0 {0.403927834919 0.594009534983 0.474152334924} H22 4658 -1 14 {} Si 0.0 {0.442170078103 0.469050813638 0.649513823685} Si1 4659 -1 8 {} O 0.0 {0.449760468993 0.452398339092 0.650790988658} O1 4660 -1 14 {} Si 0.0 {0.464436247287 0.453453773681 0.661681119879} Si2 4661 -1 8 {} O 0.0 {0.460266051788 0.447063379393 0.678390039497} O2 4662 -1 14 {} Si 0.0 {0.446323261411 0.456835732073 0.685290463621} Si3 4663 -1 7 {} N 0.0 {0.436144072385 0.463769895927 0.671315117803} N1 4664 -1 14 {} Si 0.0 {0.419845870566 0.469218933474 0.678549667629} Si4 4665 -1 14 {} Si 0.0 {0.432599278049 0.449720466455 0.659605918377} Si5 4666 -1 7 {} N 0.0 {0.410141362411 0.454298135245 0.683812848632} N2 4667 -1 7 {} N 0.0 {0.410091388018 0.47874391869 0.665807701084} N3 4668 -1 7 {} N 0.0 {0.422995802081 0.480079442286 0.693286810678} N4 4669 -1 7 {} N 0.0 {0.416448550569 0.441853729933 0.664217659046} N5 4670 -1 7 {} N 0.0 {0.43152106388 0.456197712266 0.642204529395} N6 4671 -1 7 {} N 0.0 {0.446254386077 0.437091331654 0.660683946082} N7 4672 -1 8 {} O 0.0 {0.440767870027 0.473892067362 0.631830759211} O3 4673 -1 6 {} C 0.0 {0.45277333636 0.481506382617 0.658709015006} C1 4674 -1 8 {} O 0.0 {0.425568532574 0.468745137855 0.657097583334} O4 4675 -1 7 {} N 0.0 {0.453013709335 0.470776807432 0.695641238183} N8 4676 -1 8 {} O 0.0 {0.4358467174 0.445948378429 0.695746049214} O5 4677 -1 1 {} H 0.0 {0.468475370507 0.467165929099 0.662717234919} H1 4678 -1 1 {} H 0.0 {0.475048266976 0.445651990613 0.656115855145} H2 4679 -1 1 {} H 0.0 {0.400260165006 0.455464890314 0.679999315542} H3 4680 -1 1 {} H 0.0 {0.409364414903 0.454751759059 0.694521795318} H4 4681 -1 1 {} H 0.0 {0.403772929257 0.471780066156 0.660811128141} H5 4682 -1 1 {} H 0.0 {0.417164162636 0.482271035834 0.658481660508} H6 4683 -1 1 {} H 0.0 {0.419180400349 0.474990513511 0.701826945786} H7 4684 -1 1 {} H 0.0 {0.41692821729 0.488867348118 0.691988671953} H8 4685 -1 1 {} H 0.0 {0.412264915024 0.437814201581 0.655311533602} H9 4686 -1 1 {} H 0.0 {0.409937470798 0.449813724367 0.667312494687} H10 4687 -1 1 {} H 0.0 {0.421644672699 0.459949428834 0.640839787142} H11 4688 -1 1 {} H 0.0 {0.432497860598 0.447698903352 0.635682277651} H12 4689 -1 1 {} H 0.0 {0.449662638588 0.435248862132 0.650745086} H13 4690 -1 1 {} H 0.0 {0.441747487916 0.427949081558 0.664108498757} H14 4691 -1 1 {} H 0.0 {0.431522152606 0.478617042766 0.630241604688} H15 4692 -1 1 {} H 0.0 {0.447742825512 0.491138030874 0.658858308107} H16 4693 -1 1 {} H 0.0 {0.462423665611 0.482454089427 0.65375224941} H17 4694 -1 1 {} H 0.0 {0.45425707736 0.478159062132 0.668847065766} H18 4695 -1 1 {} H 0.0 {0.424865664209 0.47663358953 0.663945249815} H19 4696 -1 1 {} H 0.0 {0.446825628469 0.471546016769 0.704280408566} H20 4697 -1 1 {} H 0.0 {0.451518663598 0.479812372815 0.689994364689} H21 4698 -1 1 {} H 0.0 {0.438528753526 0.447183552956 0.705820836306} H22 4699 -1 14 {} Si 0.0 {0.346385863629 0.370650730506 0.564479394553} Si1 4700 -1 8 {} O 0.0 {0.327916269827 0.370689557361 0.565260077029} O1 4701 -1 14 {} Si 0.0 {0.322220483976 0.363354119627 0.581300866042} Si2 4702 -1 7 {} N 0.0 {0.308190400036 0.382094027767 0.601775853119} N1 4703 -1 14 {} Si 0.0 {0.312272170901 0.391576175805 0.586863617502} Si5 4704 -1 7 {} N 0.0 {0.308645429967 0.409970216286 0.616646084485} N4 4705 -1 7 {} N 0.0 {0.309776351573 0.409339336549 0.590347521553} N5 4706 -1 7 {} N 0.0 {0.329881227228 0.388445860593 0.58144557118} N6 4707 -1 7 {} N 0.0 {0.299920646752 0.386286047053 0.573581702178} N7 4708 -1 8 {} O 0.0 {0.352228022944 0.353634394216 0.560759112499} O3 4709 -1 6 {} C 0.0 {0.353542807495 0.376294409963 0.580953744432} C1 4710 -1 8 {} O 0.0 {0.352016652358 0.382094964355 0.551168557998} O4 4711 -1 1 {} H 0.0 {0.325835991473 0.372012464321 0.592098356434} H1 4712 -1 1 {} H 0.0 {0.328538306169 0.350662718162 0.583084871627} H2 4713 -1 1 {} H 0.0 {0.312667616713 0.409948639997 0.626474167563} H7 4714 -1 1 {} H 0.0 {0.301123717843 0.41820409876 0.616506563443} H8 4715 -1 1 {} H 0.0 {0.314406908171 0.414567186842 0.582835381208} H9 4716 -1 1 {} H 0.0 {0.31505754391 0.411395700438 0.599248346856} H10 4717 -1 1 {} H 0.0 {0.330722019434 0.378192375297 0.57897016301} H11 4718 -1 1 {} H 0.0 {0.336101847601 0.390008083655 0.590063604348} H12 4719 -1 1 {} H 0.0 {0.305205156533 0.384208403278 0.564775706912} H13 4720 -1 1 {} H 0.0 {0.293650743782 0.39477154583 0.571477476733} H14 4721 -1 1 {} H 0.0 {0.343986030175 0.347179438778 0.560301631756} H15 4722 -1 1 {} H 0.0 {0.363246802896 0.371580357894 0.582502766481} H16 4723 -1 1 {} H 0.0 {0.346793943017 0.373459219579 0.589017310196} H17 4724 -1 1 {} H 0.0 {0.354767330059 0.387119948968 0.580873347323} H18 4725 -1 1 {} H 0.0 {0.36215738185 0.384452908322 0.552627706371} H19 4726 -1 14 {} Si 0.0 {0.635559640372 0.661832488816 0.536645718469} Si1 4727 -1 8 {} O 0.0 {0.628667428739 0.670013353998 0.551550952713} O1 4728 -1 14 {} Si 0.0 {0.610286740209 0.669179755079 0.550862301688} Si2 4729 -1 8 {} O 0.0 {0.60513454386 0.656108332881 0.538978072685} O2 4730 -1 14 {} Si 0.0 {0.598081539011 0.663811343631 0.523782794867} Si3 4731 -1 7 {} N 0.0 {0.599327939785 0.651750894496 0.509730398807} N1 4732 -1 14 {} Si 0.0 {0.589228307808 0.63676978516 0.514456819748} Si4 4733 -1 14 {} Si 0.0 {0.617169480799 0.646465470158 0.508882802514} Si5 4734 -1 7 {} N 0.0 {0.60061544134 0.622618824083 0.518258073094} N2 4735 -1 7 {} N 0.0 {0.577919984389 0.632081535559 0.500438115616} N3 4736 -1 7 {} N 0.0 {0.57900060491 0.640625523663 0.529468348304} N4 4737 -1 7 {} N 0.0 {0.622419971968 0.644818448732 0.491107548556} N5 4738 -1 7 {} N 0.0 {0.627753502412 0.659289681441 0.517082909775} N6 4739 -1 7 {} N 0.0 {0.619216718583 0.630112575555 0.517612169041} N7 4740 -1 8 {} O 0.0 {0.636153317257 0.673915608326 0.522802087568} O3 4741 -1 6 {} C 0.0 {0.624595762295 0.647346265963 0.532006121009} C1 4742 -1 8 {} O 0.0 {0.652548353417 0.655703219512 0.540085033955} O4 4743 -1 7 {} N 0.0 {0.6074885184 0.679221073129 0.519581318123} N8 4744 -1 8 {} O 0.0 {0.580537578115 0.668112384018 0.526620492235} O5 4745 -1 1 {} H 0.0 {0.60506596243 0.681811557707 0.546639715911} H1 4746 -1 1 {} H 0.0 {0.605232282267 0.665985826789 0.563812747517} H2 4747 -1 1 {} H 0.0 {0.59974990969 0.615671508899 0.510282075156} H3 4748 -1 1 {} H 0.0 {0.596672485434 0.617756213708 0.527004126231} H4 4749 -1 1 {} H 0.0 {0.568650859705 0.637089340967 0.502036776942} H5 4750 -1 1 {} H 0.0 {0.575914574171 0.621563829407 0.501459715616} H6 4751 -1 1 {} H 0.0 {0.585271617954 0.639338376263 0.53796718911} H7 4752 -1 1 {} H 0.0 {0.571423588808 0.632996230811 0.530068310993} H8 4753 -1 1 {} H 0.0 {0.633079439319 0.644624153363 0.490979171455} H9 4754 -1 1 {} H 0.0 {0.619464744833 0.653892088146 0.486167541644} H10 4755 -1 1 {} H 0.0 {0.629939292934 0.666687394783 0.509726551301} H11 4756 -1 1 {} H 0.0 {0.637087430339 0.654514464412 0.519476436925} H12 4757 -1 1 {} H 0.0 {0.61689969486 0.631686517426 0.527904032272} H13 4758 -1 1 {} H 0.0 {0.629693813515 0.627645663718 0.517164031128} H14 4759 -1 1 {} H 0.0 {0.626701369044 0.67824403457 0.521555665654} H15 4760 -1 1 {} H 0.0 {0.61585218465 0.650968306219 0.526619605826} H16 4761 -1 1 {} H 0.0 {0.621398351485 0.642169233018 0.541059053084} H17 4762 -1 1 {} H 0.0 {0.630185489026 0.640486985797 0.525690907983} H18 4763 -1 1 {} H 0.0 {0.656119532618 0.650462722322 0.531722657605} H19 4764 -1 1 {} H 0.0 {0.614478456504 0.676668280514 0.511968846545} H20 4765 -1 1 {} H 0.0 {0.613218323453 0.681797546022 0.52830354515} H21 4766 -1 1 {} H 0.0 {0.577539066628 0.675280497111 0.519626066628} H22 4767 -1 14 {} Si 0.0 {0.475081125219 0.35737195172 0.436940931465} Si1 4768 -1 8 {} O 0.0 {0.487896604612 0.368972835289 0.430847716453} O1 4769 -1 14 {} Si 0.0 {0.486182513134 0.384994059524 0.439728694951} Si2 4770 -1 8 {} O 0.0 {0.490019998987 0.398808647201 0.42826688831} O2 4771 -1 14 {} Si 0.0 {0.478178229334 0.398697653253 0.414182636436} Si3 4772 -1 7 {} N 0.0 {0.481416401903 0.383688923671 0.403428188371} N1 4773 -1 14 {} Si 0.0 {0.498435038975 0.385854388786 0.396403586102} Si4 4774 -1 14 {} Si 0.0 {0.469347782613 0.384351492144 0.389252525049} Si5 4775 -1 7 {} N 0.0 {0.510889035282 0.379100032985 0.408396409182} N2 4776 -1 7 {} N 0.0 {0.501735928032 0.403903072757 0.3935096715} N3 4777 -1 7 {} N 0.0 {0.499852358364 0.37673434201 0.380402141829} N4 4778 -1 7 {} N 0.0 {0.466946563189 0.367519599559 0.381622134827} N5 4779 -1 7 {} N 0.0 {0.452758379656 0.390719504998 0.395824375607} N6 4780 -1 7 {} N 0.0 {0.475909707417 0.396298077535 0.376268017566} N7 4781 -1 8 {} O 0.0 {0.477362666572 0.340928260104 0.429004024874} O3 4782 -1 6 {} C 0.0 {0.458076811765 0.364171086956 0.43269731305} C1 4783 -1 8 {} O 0.0 {0.476635908337 0.355659753774 0.455156743404} O4 4784 -1 7 {} N 0.0 {0.480546035855 0.414361437769 0.404294249862} N8 4785 -1 8 {} O 0.0 {0.460948831802 0.398089704253 0.420612156232} O5 4786 -1 1 {} H 0.0 {0.495282933259 0.385316443063 0.450756261639} H1 4787 -1 1 {} H 0.0 {0.47280305548 0.386372727591 0.444547956766} H2 4788 -1 1 {} H 0.0 {0.520510801724 0.382062945195 0.40494850399} H3 4789 -1 1 {} H 0.0 {0.510489650906 0.368379460787 0.407526628924} H4 4790 -1 1 {} H 0.0 {0.499161806955 0.405998606168 0.3833816905} H5 4791 -1 1 {} H 0.0 {0.512375227571 0.405251850529 0.394305918358} H6 4792 -1 1 {} H 0.0 {0.509558384816 0.37236781845 0.380272167874} H7 4793 -1 1 {} H 0.0 {0.499697049701 0.384140017832 0.372593834179} H8 4794 -1 1 {} H 0.0 {0.464376909442 0.368983297257 0.371442680502} H9 4795 -1 1 {} H 0.0 {0.458329294398 0.363278803981 0.386219550448} H10 4796 -1 1 {} H 0.0 {0.449803505459 0.384275904126 0.40376593903} H11 4797 -1 1 {} H 0.0 {0.445443416611 0.38954622356 0.388001726666} H12 4798 -1 1 {} H 0.0 {0.468332192289 0.397624749472 0.36886211163} H13 4799 -1 1 {} H 0.0 {0.484154038522 0.391389424354 0.371396592551} H14 4800 -1 1 {} H 0.0 {0.475032029575 0.333373636794 0.435899214783} H15 4801 -1 1 {} H 0.0 {0.45264823043 0.356900909428 0.426668998456} H16 4802 -1 1 {} H 0.0 {0.459178321894 0.37345546655 0.427078000791} H17 4803 -1 1 {} H 0.0 {0.452557514581 0.366126807759 0.441882957129} H18 4804 -1 1 {} H 0.0 {0.475519810824 0.365087218325 0.459641205978} H19 4805 -1 1 {} H 0.0 {0.474631371051 0.41357499997 0.395533784751} H20 4806 -1 1 {} H 0.0 {0.490802375699 0.414482984276 0.401076184785} H21 4807 -1 1 {} H 0.0 {0.455118318137 0.405286847996 0.415646498276} H22 4808 -1 14 {} Si 0.0 {0.360709242201 0.67988013872 0.402668249201} Si1 4809 -1 8 {} O 0.0 {0.353804513055 0.671455035147 0.417371858221} O1 4810 -1 14 {} Si 0.0 {0.345534914011 0.655836943084 0.412178521539} Si2 4811 -1 8 {} O 0.0 {0.345661558158 0.654242655592 0.393699611263} O2 4812 -1 14 {} Si 0.0 {0.341396099125 0.67031994286 0.385469905623} Si3 4813 -1 14 {} Si 0.0 {0.335735517326 0.64871507844 0.365224719715} Si5 4814 -1 7 {} N 0.0 {0.346617059122 0.644752372995 0.350707321616} N5 4815 -1 7 {} N 0.0 {0.34238110693 0.640165102275 0.380282850767} N6 4816 -1 8 {} O 0.0 {0.37581376294 0.689226349439 0.407407042588} O3 4817 -1 6 {} C 0.0 {0.347829099109 0.691899377027 0.395882650776} C1 4818 -1 8 {} O 0.0 {0.365188843381 0.667243104556 0.389986279563} O4 4819 -1 7 {} N 0.0 {0.356546439629 0.681173176501 0.384645529574} N8 4820 -1 1 {} H 0.0 {0.332047192929 0.655785439081 0.416864548551} H1 4821 -1 1 {} H 0.0 {0.352529339914 0.64475089559 0.417900430386} H2 4822 -1 1 {} H 0.0 {0.350719773646 0.635068984692 0.352393554631} H9 4823 -1 1 {} H 0.0 {0.354851089376 0.651668923594 0.351060598072} H10 4824 -1 1 {} H 0.0 {0.351656917997 0.644798462125 0.382686606547} H11 4825 -1 1 {} H 0.0 {0.344703550329 0.630127990926 0.377302628508} H12 4826 -1 1 {} H 0.0 {0.318824857849 0.632296319207 0.360627390253} H13 4827 -1 1 {} H 0.0 {0.381180852757 0.691783695178 0.39872975646} H15 4828 -1 1 {} H 0.0 {0.356517245868 0.662767873457 0.386236901588} H19 4829 -1 1 {} H 0.0 {0.363493097961 0.676279141517 0.378047910181} H21 4830 -1 1 {} H 0.0 {0.331980188318 0.682122802302 0.404175773156} H22 4831 -1 1 {} H 0.0 {0.585240332307 0.515287938151 0.716401659693} H20 4832 -1 14 {} Si 0.0 {0.588293638713 0.384016323624 0.458685090305} Si1 4833 -1 8 {} O 0.0 {0.577621733363 0.386917152896 0.473364840198} O1 4834 -1 14 {} Si 0.0 {0.566885109238 0.401471320734 0.470152392371} Si2 4835 -1 8 {} O 0.0 {0.549260407944 0.396845424014 0.472359200822} O2 4836 -1 14 {} Si 0.0 {0.54008530544 0.411498341267 0.478553403519} Si3 4837 -1 7 {} N 0.0 {0.526069843247 0.415452103483 0.467157122153} N1 4838 -1 14 {} Si 0.0 {0.533412084388 0.424856843354 0.452837262078} Si4 4839 -1 14 {} Si 0.0 {0.515016577882 0.427079663263 0.476501651488} Si5 4840 -1 7 {} N 0.0 {0.534778475193 0.442862873984 0.457238810303} N2 4841 -1 7 {} N 0.0 {0.522607109273 0.422945227172 0.437826507597} N3 4842 -1 7 {} N 0.0 {0.550356525235 0.418118600325 0.449158393156} N4 4843 -1 7 {} N 0.0 {0.502725182975 0.434818169476 0.464927011448} N5 4844 -1 7 {} N 0.0 {0.506020328847 0.417622770605 0.489746387835} N6 4845 -1 7 {} N 0.0 {0.525388197682 0.440354788049 0.484380806736} N7 4846 -1 8 {} O 0.0 {0.578770701915 0.374722377967 0.44601165798} O3 4847 -1 6 {} C 0.0 {0.603398453285 0.374067144754 0.463692253657} C1 4848 -1 8 {} O 0.0 {0.593683414499 0.400161023386 0.451721482627} O4 4849 -1 7 {} N 0.0 {0.551480937722 0.426111013662 0.479202992412} N8 4850 -1 8 {} O 0.0 {0.533560146021 0.408091033362 0.495401221705} O5 4851 -1 1 {} H 0.0 {0.568966518362 0.406048760974 0.456764612054} H1 4852 -1 1 {} H 0.0 {0.570166730403 0.411891848186 0.479328539929} H2 4853 -1 1 {} H 0.0 {0.525144728385 0.44718876486 0.455866746094} H3 4854 -1 1 {} H 0.0 {0.541228991559 0.447351429582 0.449880098655} H4 4855 -1 1 {} H 0.0 {0.51267129426 0.421294877137 0.441267324781} H5 4856 -1 1 {} H 0.0 {0.5257073259 0.413878571463 0.432926672559} H6 4857 -1 1 {} H 0.0 {0.554407052781 0.414579352708 0.458349744452} H7 4858 -1 1 {} H 0.0 {0.556426293269 0.426482390117 0.44615618106} H8 4859 -1 1 {} H 0.0 {0.497757426058 0.442551891379 0.470328650955} H9 4860 -1 1 {} H 0.0 {0.495316724187 0.427308173896 0.462833629432} H10 4861 -1 1 {} H 0.0 {0.500004391381 0.410304733245 0.484873609545} H11 4862 -1 1 {} H 0.0 {0.499247537573 0.424540966318 0.494424093678} H12 4863 -1 1 {} H 0.0 {0.524952891545 0.438863753086 0.494925464575} H13 4864 -1 1 {} H 0.0 {0.520464927237 0.449704822238 0.482402899826} H14 4865 -1 1 {} H 0.0 {0.576705245994 0.365073249603 0.449601743286} H15 4866 -1 1 {} H 0.0 {0.606681047824 0.367986776613 0.455273488732} H16 4867 -1 1 {} H 0.0 {0.600879071631 0.367624039667 0.47202775388} H17 4868 -1 1 {} H 0.0 {0.611411552147 0.380840680647 0.466633949763} H18 4869 -1 1 {} H 0.0 {0.603949715602 0.399752146119 0.449530762462} H19 4870 -1 1 {} H 0.0 {0.545926492538 0.434237822661 0.483279401917} H20 4871 -1 1 {} H 0.0 {0.553691084292 0.428743761541 0.469002049006} H21 4872 -1 1 {} H 0.0 {0.536066181599 0.416056583422 0.501779571746} H22 4873 -1 14 {} Si 0.0 {0.616000683217 0.62875541458 0.403027947509} Si1 4874 -1 8 {} O 0.0 {0.62130091741 0.645071934649 0.396213582848} O1 4875 -1 14 {} Si 0.0 {0.606585415454 0.653651554027 0.389207307483} Si2 4876 -1 8 {} O 0.0 {0.605424862386 0.670784627141 0.395940438697} O2 4877 -1 14 {} Si 0.0 {0.613685864825 0.682691070656 0.384559171346} Si3 4878 -1 7 {} N 0.0 {0.630279757856 0.687343746243 0.391908882873} N1 4879 -1 7 {} N 0.0 {0.633233700179 0.667032264123 0.370431949343} N6 4880 -1 8 {} O 0.0 {0.600714505153 0.630950828944 0.412962389512} O3 4881 -1 6 {} C 0.0 {0.629567129368 0.621613054175 0.4139784336} C1 4882 -1 8 {} O 0.0 {0.612532211139 0.617210570013 0.389175520719} O4 4883 -1 7 {} N 0.0 {0.602847881422 0.697476950305 0.382017860171} N8 4884 -1 8 {} O 0.0 {0.616513652593 0.674463956395 0.368316717994} O5 4885 -1 1 {} H 0.0 {0.594915033061 0.64637937732 0.392843264254} H1 4886 -1 1 {} H 0.0 {0.607591857475 0.654177229609 0.374975564845} H2 4887 -1 1 {} H 0.0 {0.637204159233 0.65738827591 0.372437312447} H11 4888 -1 1 {} H 0.0 {0.597926465585 0.621721836397 0.417103820638} H15 4889 -1 1 {} H 0.0 {0.625131869391 0.614853734729 0.421308180603} H16 4890 -1 1 {} H 0.0 {0.634701130625 0.629705885427 0.419158380391} H17 4891 -1 1 {} H 0.0 {0.636701827717 0.616120994061 0.407838199729} H18 4892 -1 1 {} H 0.0 {0.617726291773 0.60826508921 0.39070908395} H19 4893 -1 1 {} H 0.0 {0.599355852637 0.70046882611 0.391729043611} H21 4894 -1 1 {} H 0.0 {0.607349825848 0.671153385972 0.364422955619} H22 4895 -1 14 {} Si 0.0 {0.455538368413 0.528193516212 0.285524660338} Si1 4896 -1 8 {} O 0.0 {0.445450456101 0.522710008534 0.271006549627} O1 4897 -1 14 {} Si 0.0 {0.444377617599 0.53655717365 0.258824025618} Si2 4898 -1 14 {} Si 0.0 {0.41451519694 0.537463005927 0.253071543465} Si3 4899 -1 8 {} O 0.0 {0.468054926833 0.540456026154 0.279983511969} O3 4900 -1 6 {} C 0.0 {0.464414331074 0.513496453345 0.293261970304} C1 4901 -1 8 {} O 0.0 {0.444512337987 0.535928989891 0.298048136891} O4 4902 -1 7 {} N 0.0 {0.416326672607 0.54790071737 0.268325040597} N8 4903 -1 8 {} O 0.0 {0.405650171696 0.521935194976 0.25734239238} O5 4904 -1 1 {} H 0.0 {0.456936333116 0.53784291149 0.252100562242} H1 4905 -1 1 {} H 0.0 {0.441413640064 0.548697058141 0.265733508565} H2 4906 -1 1 {} H 0.0 {0.477380945395 0.538049267974 0.284180940979} H15 4907 -1 1 {} H 0.0 {0.471089704369 0.517031542673 0.301112988307} H16 4908 -1 1 {} H 0.0 {0.470227628969 0.508354566567 0.285650274224} H17 4909 -1 1 {} H 0.0 {0.457120149085 0.506643133667 0.297549379795} H18 4910 -1 1 {} H 0.0 {0.440545320104 0.528472146835 0.304279266216} H19 4911 -1 1 {} H 0.0 {0.418532924012 0.541312493615 0.276402530656} H20 4912 -1 1 {} H 0.0 {0.406609579817 0.552079419845 0.270356496121} H21 4913 -1 1 {} H 0.0 {0.412465181445 0.513934716593 0.25735448905} H22 4914 -1 14 {} Si 0.0 {0.520850212967 0.531608327419 0.728190597507} Si1 4915 -1 8 {} O 0.0 {0.532290899472 0.536174659048 0.71409275502} O1 4916 -1 14 {} Si 0.0 {0.531141852597 0.554535545731 0.710218359843} Si2 4917 -1 8 {} O 0.0 {0.547226677158 0.561616900689 0.71320492104} O2 4918 -1 14 {} Si 0.0 {0.55549756706 0.549857900708 0.724121375417} Si3 4919 -1 7 {} N 0.0 {0.533506176386 0.516994817406 0.730409807793} N4 4920 -1 7 {} N 0.0 {0.520688724903 0.544018359926 0.71544184969} N7 4921 -1 8 {} O 0.0 {0.513886486427 0.514858812001 0.725105862867} O3 4922 -1 6 {} C 0.0 {0.506520353293 0.544108198067 0.729358439982} C1 4923 -1 8 {} O 0.0 {0.560586655255 0.535107526053 0.714391592775} O5 4924 -1 1 {} H 0.0 {0.521652434757 0.560919398466 0.718909733826} H1 4925 -1 1 {} H 0.0 {0.527385639481 0.55645758306 0.696538582004} H2 4926 -1 1 {} H 0.0 {0.562077767703 0.514188736489 0.72790799935} H6 4927 -1 1 {} H 0.0 {0.539030007482 0.509537727954 0.724986100495} H8 4928 -1 1 {} H 0.0 {0.515055248276 0.552214469683 0.711560399678} H13 4929 -1 1 {} H 0.0 {0.513977927001 0.535593328686 0.715482408113} H14 4930 -1 1 {} H 0.0 {0.504960162929 0.513743794482 0.730528100849} H15 4931 -1 1 {} H 0.0 {0.497460501919 0.538963896651 0.732592124746} H16 4932 -1 1 {} H 0.0 {0.504762086795 0.548625720132 0.719691085675} H17 4933 -1 1 {} H 0.0 {0.560613207483 0.537519732123 0.704169340633} H22 4934 -1 14 {} Si 0.0 {0.27137237303 0.418566485705 0.529157278702} Si3 4935 -1 7 {} N 0.0 {0.279069384492 0.409272176874 0.54341465584} N1 4936 -1 14 {} Si 0.0 {0.280761798669 0.421249120694 0.557713473824} Si4 4937 -1 14 {} Si 0.0 {0.296279515643 0.404809203624 0.538357625303} Si5 4938 -1 7 {} N 0.0 {0.285127916527 0.437962036018 0.551182567103} N2 4939 -1 7 {} N 0.0 {0.294142485961 0.415567629161 0.569006476112} N3 4940 -1 7 {} N 0.0 {0.299474827113 0.410796610719 0.521082973397} N5 4941 -1 7 {} N 0.0 {0.30811604912 0.413138359531 0.550131686906} N6 4942 -1 7 {} N 0.0 {0.298387365218 0.386249453732 0.538945523805} N7 4943 -1 8 {} O 0.0 {0.281608378809 0.398649124754 0.486494911288} O3 4944 -1 7 {} N 0.0 {0.274898368112 0.436752769034 0.530955463106} N8 4945 -1 8 {} O 0.0 {0.278436417579 0.412486434539 0.513320501161} O5 4946 -1 1 {} H 0.0 {0.293715404812 0.436757451238 0.544992152852} H3 4947 -1 1 {} H 0.0 {0.28824263664 0.44378111606 0.559624542055} H4 4948 -1 1 {} H 0.0 {0.299528454876 0.407927152139 0.563940758047} H5 4949 -1 1 {} H 0.0 {0.289294456015 0.41095936177 0.577314190435} H6 4950 -1 1 {} H 0.0 {0.30546340011 0.403413706213 0.51625717954} H9 4951 -1 1 {} H 0.0 {0.305588578239 0.419597420265 0.521960038522} H10 4952 -1 1 {} H 0.0 {0.313421525961 0.420539017349 0.544606286458} H11 4953 -1 1 {} H 0.0 {0.315305357259 0.40577830517 0.553112622765} H12 4954 -1 1 {} H 0.0 {0.308455402996 0.384116797497 0.536172603468} H13 4955 -1 1 {} H 0.0 {0.292151258633 0.382182783914 0.531194623234} H14 4956 -1 1 {} H 0.0 {0.281239616349 0.40394772237 0.47743515277} H15 4957 -1 1 {} H 0.0 {0.258826139796 0.416507194225 0.479880116837} H16 4958 -1 1 {} H 0.0 {0.285481005807 0.437952228355 0.530784425625} H20 4959 -1 1 {} H 0.0 {0.271647777713 0.439578870203 0.540826276694} H21 4960 -1 1 {} H 0.0 {0.271233121071 0.413370165978 0.505739167089} H22 4961 -1 6 {} C 0.0 {0.499669114074 0.638833210447 0.284882089741} C1 4962 -1 1 {} H 0.0 {0.496064505129 0.629744612086 0.280063525303} H16 4963 -1 1 {} H 0.0 {0.491198455861 0.644751838062 0.288375634363} H17 4964 -1 1 {} H 0.0 {0.506007017549 0.636220103313 0.293339975767} H18 4965 -1 1 {} H 0.0 {0.526137973849 0.653398784683 0.289261323152} H19 4966 -1 14 {} Si 0.0 {0.476755748264 0.379980800693 0.619833086268} Si1 4967 -1 8 {} O 0.0 {0.494675406944 0.382862136465 0.61663284666} O1 4968 -1 14 {} Si 0.0 {0.498506452067 0.400775056159 0.618591839353} Si2 4969 -1 8 {} O 0.0 {0.504836055732 0.407556016396 0.602619286302} O2 4970 -1 14 {} Si 0.0 {0.506765038071 0.425811440196 0.604124563033} Si3 4971 -1 7 {} N 0.0 {0.508864942263 0.43346741492 0.587068769933} N1 4972 -1 14 {} Si 0.0 {0.512301010319 0.419996579991 0.574875928954} Si4 4973 -1 14 {} Si 0.0 {0.523591860755 0.445370291309 0.587121340915} Si5 4974 -1 7 {} N 0.0 {0.497327935406 0.409048527281 0.573640808647} N2 4975 -1 7 {} N 0.0 {0.526930704168 0.409976878773 0.58041807188} N3 4976 -1 7 {} N 0.0 {0.515809871611 0.427589572414 0.558280042328} N4 4977 -1 7 {} N 0.0 {0.539422495964 0.436556126865 0.592094150065} N5 4978 -1 7 {} N 0.0 {0.525818036933 0.452258867764 0.569964447167} N6 4979 -1 7 {} N 0.0 {0.519983287974 0.459508591995 0.599176393625} N7 4980 -1 8 {} O 0.0 {0.472964229071 0.362085096482 0.617791781823} O3 4981 -1 6 {} C 0.0 {0.466528114945 0.389965196085 0.607632168019} C1 4982 -1 8 {} O 0.0 {0.472633608519 0.385194873807 0.636998408977} O4 4983 -1 7 {} N 0.0 {0.521409231777 0.429545606685 0.61487096388} N8 4984 -1 8 {} O 0.0 {0.491644647004 0.432723594697 0.611986845783} O5 4985 -1 1 {} H 0.0 {0.508456284021 0.402423924116 0.628736707942} H1 4986 -1 1 {} H 0.0 {0.486635807925 0.407792634913 0.622398786443} H2 4987 -1 1 {} H 0.0 {0.499519133302 0.400079152745 0.578937486274} H3 4988 -1 1 {} H 0.0 {0.496326488525 0.406339382299 0.563287076927} H4 4989 -1 1 {} H 0.0 {0.526379528958 0.409175829845 0.591021937576} H5 4990 -1 1 {} H 0.0 {0.535682183104 0.415829858652 0.578229578552} H6 4991 -1 1 {} H 0.0 {0.506639335288 0.427679469969 0.552847831551} H7 4992 -1 1 {} H 0.0 {0.522366661167 0.420827696228 0.553114343804} H8 4993 -1 1 {} H 0.0 {0.54708689351 0.439869526924 0.585507354955} H9 4994 -1 1 {} H 0.0 {0.537948554985 0.426110166723 0.590028086205} H10 4995 -1 1 {} H 0.0 {0.524766995338 0.444149309222 0.563155685249} H11 4996 -1 1 {} H 0.0 {0.536057868082 0.455533270597 0.569269039129} H12 4997 -1 1 {} H 0.0 {0.509486685852 0.461379207209 0.598967963007} H13 4998 -1 1 {} H 0.0 {0.524690821615 0.468385088467 0.595279686169} H14 4999 -1 1 {} H 0.0 {0.464950064596 0.360956099315 0.611097783882} H15 5000 -1 1 {} H 0.0 {0.464457971793 0.383902967886 0.59881348021} H16 5001 -1 1 {} H 0.0 {0.472064348223 0.398880325427 0.60469543181} H17 5002 -1 1 {} H 0.0 {0.457130670838 0.392899390087 0.612312350988} H18 5003 -1 1 {} H 0.0 {0.465127266617 0.392537490967 0.636708615161} H19 5004 -1 1 {} H 0.0 {0.529632391651 0.424027848045 0.611031566799} H20 5005 -1 1 {} H 0.0 {0.519217594012 0.425449168937 0.624594640385} H21 5006 -1 1 {} H 0.0 {0.489240380115 0.427081041398 0.62050675863} H22 5007 -1 14 {} Si 0.0 {0.464908816379 0.483321388286 0.389305904582} Si1 5008 -1 8 {} O 0.0 {0.480727363541 0.492331405744 0.386238182136} O1 5009 -1 14 {} Si 0.0 {0.49188927831 0.482242642107 0.375525503766} Si2 5010 -1 8 {} O 0.0 {0.507426045323 0.491757079233 0.372306284122} O2 5011 -1 14 {} Si 0.0 {0.516879958662 0.483975726068 0.358504583367} Si3 5012 -1 7 {} N 0.0 {0.526758645183 0.497122457363 0.349427143167} N1 5013 -1 14 {} Si 0.0 {0.520927299257 0.513713878849 0.355275223517} Si4 5014 -1 14 {} Si 0.0 {0.522577600449 0.49622445447 0.331335262232} Si5 5015 -1 7 {} N 0.0 {0.52271006783 0.525992838653 0.341412927186} N2 5016 -1 7 {} N 0.0 {0.53119308658 0.519174631157 0.369762228674} N3 5017 -1 7 {} N 0.0 {0.50307844715 0.512595833916 0.36029261919} N4 5018 -1 7 {} N 0.0 {0.53827164427 0.495942913082 0.321335904781} N5 5019 -1 7 {} N 0.0 {0.512837603166 0.480917776672 0.327988873587} N6 5020 -1 7 {} N 0.0 {0.512514889564 0.511117989936 0.326585598705} N7 5021 -1 8 {} O 0.0 {0.467004443874 0.465501582614 0.385219801841} O3 5022 -1 6 {} C 0.0 {0.451303943246 0.490671236884 0.378591278395} C1 5023 -1 8 {} O 0.0 {0.460247260173 0.485040841898 0.407033023046} O4 5024 -1 7 {} N 0.0 {0.505003841804 0.475622735298 0.346886480531} N8 5025 -1 8 {} O 0.0 {0.528478450483 0.471427745248 0.365385393637} O5 5026 -1 1 {} H 0.0 {0.485345771291 0.479402857794 0.363126116988} H1 5027 -1 1 {} H 0.0 {0.495076977145 0.469967069783 0.382157212665} H2 5028 -1 1 {} H 0.0 {0.531275320842 0.531954497462 0.343543335627} H3 5029 -1 1 {} H 0.0 {0.514197638156 0.532540047847 0.341966873025} H4 5030 -1 1 {} H 0.0 {0.537470625329 0.510994262692 0.372444075317} H5 5031 -1 1 {} H 0.0 {0.524402855977 0.52064576496 0.377967692981} H6 5032 -1 1 {} H 0.0 {0.497282014638 0.512647405493 0.351344381706} H7 5033 -1 1 {} H 0.0 {0.500765013661 0.521720340765 0.365487865357} H8 5034 -1 1 {} H 0.0 {0.536260266605 0.500969472063 0.312151945053} H9 5035 -1 1 {} H 0.0 {0.540164782312 0.485651250691 0.318840424637} H10 5036 -1 1 {} H 0.0 {0.519073801887 0.472707531989 0.330452591124} H11 5037 -1 1 {} H 0.0 {0.51126585253 0.480548480452 0.317364896173} H12 5038 -1 1 {} H 0.0 {0.506814440721 0.508467103843 0.317985140391} H13 5039 -1 1 {} H 0.0 {0.519494506076 0.518673649764 0.323423243925} H14 5040 -1 1 {} H 0.0 {0.461750537127 0.463304381131 0.376396243645} H15 5041 -1 1 {} H 0.0 {0.451993169754 0.48657548616 0.368518761282} H16 5042 -1 1 {} H 0.0 {0.452445212114 0.501504992104 0.37819728179} H17 5043 -1 1 {} H 0.0 {0.441576646469 0.488199338544 0.382862169969} H18 5044 -1 1 {} H 0.0 {0.454715335436 0.493882054491 0.408345662178} H19 5045 -1 1 {} H 0.0 {0.510401457309 0.467995155529 0.341772191598} H20 5046 -1 1 {} H 0.0 {0.502228734943 0.482922825761 0.339513778869} H21 5047 -1 1 {} H 0.0 {0.523338740092 0.465229791981 0.372119312329} H22 5048 -1 14 {} Si 0.0 {0.576514369857 0.54313324398 0.663354276382} Si1 5049 -1 8 {} O 0.0 {0.578412075172 0.551751200092 0.647016996491} O1 5050 -1 14 {} Si 0.0 {0.590051606011 0.566151790362 0.648624623564} Si2 5051 -1 8 {} O 0.0 {0.603403350358 0.561767192794 0.660874299112} O2 5052 -1 14 {} Si 0.0 {0.61478366861 0.576022945702 0.665332972619} Si3 5053 -1 7 {} N 0.0 {0.614288830915 0.57833757459 0.684036897471} N1 5054 -1 14 {} Si 0.0 {0.596476548043 0.581166923883 0.689441862758} Si4 5055 -1 7 {} N 0.0 {0.590163918936 0.566090709522 0.698014083282} N3 5056 -1 7 {} N 0.0 {0.585676629323 0.584665597067 0.674729017089} N4 5057 -1 8 {} O 0.0 {0.588550170497 0.529248728863 0.664453013031} O3 5058 -1 6 {} C 0.0 {0.559047039208 0.536289977668 0.665059104689} C1 5059 -1 8 {} O 0.0 {0.579602976477 0.555002369892 0.677002236048} O4 5060 -1 7 {} N 0.0 {0.609931951425 0.591883136239 0.656737189334} N8 5061 -1 8 {} O 0.0 {0.631904748586 0.57171783292 0.660198342091} O5 5062 -1 1 {} H 0.0 {0.582667845873 0.577595663572 0.652986604912} H1 5063 -1 1 {} H 0.0 {0.595943303452 0.568907638813 0.635906016138} H2 5064 -1 1 {} H 0.0 {0.585503879584 0.598975887351 0.701211227035} H4 5065 -1 1 {} H 0.0 {0.598334882372 0.559443142867 0.699085007677} H5 5066 -1 1 {} H 0.0 {0.58324866309 0.561436059973 0.691299112889} H6 5067 -1 1 {} H 0.0 {0.578764907756 0.59224442129 0.677608897277} H7 5068 -1 1 {} H 0.0 {0.579869780727 0.575754807143 0.673000760967} H8 5069 -1 1 {} H 0.0 {0.632676483584 0.599472904359 0.666791251337} H10 5070 -1 1 {} H 0.0 {0.585124875038 0.522204685787 0.671479376609} H15 5071 -1 1 {} H 0.0 {0.559499122688 0.525483807445 0.666504358592} H16 5072 -1 1 {} H 0.0 {0.553356390529 0.538515530609 0.656052040346} H17 5073 -1 1 {} H 0.0 {0.554173399606 0.540890177801 0.673672543997} H18 5074 -1 1 {} H 0.0 {0.570426969183 0.558495971222 0.680723794265} H19 5075 -1 1 {} H 0.0 {0.61463467149 0.591880645584 0.647188166905} H20 5076 -1 1 {} H 0.0 {0.614391250972 0.599898354752 0.662326980101} H21 5077 -1 1 {} H 0.0 {0.632412962127 0.571445757084 0.649692525364} H22 5078 -1 14 {} Si 0.0 {0.693040151175 0.596495028317 0.501881798538} Si1 5079 -1 8 {} O 0.0 {0.684943578944 0.581169066258 0.508102783204} O1 5080 -1 14 {} Si 0.0 {0.695093357285 0.566516279816 0.503452873587} Si2 5081 -1 8 {} O 0.0 {0.712732901623 0.569497482721 0.50799681087} O2 5082 -1 14 {} Si 0.0 {0.715149203026 0.5657501329 0.525873602518} Si3 5083 -1 14 {} Si 0.0 {0.720438528051 0.594040482919 0.534453199533} Si4 5084 -1 7 {} N 0.0 {0.702186903574 0.592910027877 0.531076760164} N2 5085 -1 8 {} O 0.0 {0.692065628037 0.597012726395 0.483493369726} O3 5086 -1 6 {} C 0.0 {0.71097821229 0.596575322823 0.507128164347} C1 5087 -1 8 {} O 0.0 {0.684543139518 0.611220601985 0.508884567813} O4 5088 -1 7 {} N 0.0 {0.720655789261 0.548112511611 0.527861486124} N8 5089 -1 8 {} O 0.0 {0.699242966968 0.568201574448 0.534793141819} O5 5090 -1 1 {} H 0.0 {0.694078495471 0.564325663651 0.489356830402} H1 5091 -1 1 {} H 0.0 {0.690268034501 0.554985434852 0.510405797685} H2 5092 -1 1 {} H 0.0 {0.698269013065 0.602810280626 0.531540214204} H3 5093 -1 1 {} H 0.0 {0.697856087804 0.58751716357 0.539319552316} H4 5094 -1 1 {} H 0.0 {0.701745563963 0.596500967399 0.479467481195} H15 5095 -1 1 {} H 0.0 {0.717254251799 0.598698440705 0.498470089613} H16 5096 -1 1 {} H 0.0 {0.713578123459 0.586817202739 0.511241110139} H17 5097 -1 1 {} H 0.0 {0.712513393005 0.604239939328 0.514701948368} H18 5098 -1 1 {} H 0.0 {0.684958229064 0.619098470977 0.501956784612} H19 5099 -1 1 {} H 0.0 {0.722927206728 0.546666001183 0.538176916587} H20 5100 -1 1 {} H 0.0 {0.729942325039 0.547161173106 0.522522514667} H21 5101 -1 1 {} H 0.0 {0.691749329387 0.562455257599 0.530207520403} H22 5102 -1 14 {} Si 0.0 {0.471862418557 0.284291260155 0.538109247581} Si1 5103 -1 8 {} O 0.0 {0.480063153499 0.26768863936 0.538871747383} O1 5104 -1 7 {} N 0.0 {0.467352643416 0.281630046839 0.587894336797} N1 5105 -1 14 {} Si 0.0 {0.458201481344 0.2969107054 0.594879214527} Si5 5106 -1 7 {} N 0.0 {0.451043083812 0.306337018095 0.580588068376} N5 5107 -1 7 {} N 0.0 {0.469649701488 0.308704387129 0.604574007809} N7 5108 -1 8 {} O 0.0 {0.467795981858 0.289385433701 0.554596343375} O3 5109 -1 6 {} C 0.0 {0.456033117672 0.281980548024 0.527610548308} C1 5110 -1 8 {} O 0.0 {0.483249817018 0.296759371172 0.52986322738} O4 5111 -1 8 {} O 0.0 {0.455658895422 0.290756533583 0.561272246307} O5 5112 -1 1 {} H 0.0 {0.459131600555 0.30886662617 0.574130473421} H9 5113 -1 1 {} H 0.0 {0.447299614955 0.315596533395 0.584573068984} H10 5114 -1 1 {} H 0.0 {0.439283178651 0.300361921095 0.609309028437} H12 5115 -1 1 {} H 0.0 {0.466438707036 0.318648365513 0.602480232089} H13 5116 -1 1 {} H 0.0 {0.479670194031 0.307829005996 0.600552129208} H14 5117 -1 1 {} H 0.0 {0.466004297325 0.280805169327 0.560304218398} H15 5118 -1 1 {} H 0.0 {0.447425925317 0.285468763855 0.533004533733} H16 5119 -1 1 {} H 0.0 {0.454708259706 0.271475207728 0.525431177183} H17 5120 -1 1 {} H 0.0 {0.457032484466 0.287431275874 0.518213360434} H18 5121 -1 1 {} H 0.0 {0.477893532676 0.305566583831 0.527525217088} H19 5122 -1 1 {} H 0.0 {0.447631678256 0.296778465251 0.564378806248} H22 5123 -1 14 {} Si 0.0 {0.672174091126 0.661683098839 0.415538237449} Si1 5124 -1 8 {} O 0.0 {0.65748259166 0.659922496262 0.404529665916} O1 5125 -1 14 {} Si 0.0 {0.646271173905 0.64670288811 0.410846391325} Si2 5126 -1 8 {} O 0.0 {0.650881607908 0.630488622611 0.40348275278} O2 5127 -1 14 {} Si 0.0 {0.660000118395 0.620379403047 0.415784847817} Si3 5128 -1 7 {} N 0.0 {0.648019361369 0.613379168494 0.427952566936} N1 5129 -1 14 {} Si 0.0 {0.656030199296 0.614165357718 0.444723725118} Si4 5130 -1 14 {} Si 0.0 {0.64603938728 0.595570874846 0.42333779326} Si5 5131 -1 7 {} N 0.0 {0.654356233157 0.597718172972 0.453175551639} N2 5132 -1 7 {} N 0.0 {0.64767273992 0.6272777008 0.454936450883} N3 5133 -1 7 {} N 0.0 {0.674049720645 0.618377815591 0.44283791529} N4 5134 -1 7 {} N 0.0 {0.628663488876 0.590054911112 0.426886671207} N5 5135 -1 7 {} N 0.0 {0.649637209459 0.593741203701 0.405218774434} N6 5136 -1 7 {} N 0.0 {0.658013523937 0.5852300777 0.432974513714} N7 5137 -1 8 {} O 0.0 {0.674186726029 0.64658680126 0.425681869399} O3 5138 -1 7 {} N 0.0 {0.67250043411 0.630816046444 0.424618956289} N8 5139 -1 8 {} O 0.0 {0.668596839449 0.606593783532 0.407139686854} O5 5140 -1 1 {} H 0.0 {0.632897192322 0.649789328298 0.407108929827} H1 5141 -1 1 {} H 0.0 {0.647215879675 0.645971501344 0.425089527304} H2 5142 -1 1 {} H 0.0 {0.645879726634 0.598325060749 0.459598445009} H3 5143 -1 1 {} H 0.0 {0.662956516092 0.596644235968 0.45954591122} H4 5144 -1 1 {} H 0.0 {0.640872883191 0.632414636354 0.448533527552} H5 5145 -1 1 {} H 0.0 {0.655281175151 0.634389485588 0.457653433393} H6 5146 -1 1 {} H 0.0 {0.679560200597 0.611342627321 0.448628383251} H7 5147 -1 1 {} H 0.0 {0.675483522796 0.627973332569 0.447508951444} H8 5148 -1 1 {} H 0.0 {0.628843498001 0.57944571091 0.427752672024} H9 5149 -1 1 {} H 0.0 {0.622867653806 0.592308421952 0.418118345517} H10 5150 -1 1 {} H 0.0 {0.64766387542 0.603178304812 0.400682794774} H11 5151 -1 1 {} H 0.0 {0.642388468731 0.586855248426 0.40128835873} H12 5152 -1 1 {} H 0.0 {0.662785525543 0.578698349193 0.426025928986} H13 5153 -1 1 {} H 0.0 {0.652156975787 0.579011520544 0.439487310186} H14 5154 -1 1 {} H 0.0 {0.6843171569 0.645410400805 0.428188234411} H15 5155 -1 1 {} H 0.0 {0.66161387541 0.674697067784 0.433618153576} H17 5156 -1 1 {} H 0.0 {0.68103064115 0.624682341652 0.42642393094} H20 5157 -1 1 {} H 0.0 {0.668308081701 0.633152451184 0.434238888094} H21 5158 -1 1 {} H 0.0 {0.678569506477 0.609303391753 0.40530160034} H22 5159 -1 1 {} H 0.0 {0.475304014852 0.403104635568 0.708993310386} H5 5160 -1 1 {} H 0.0 {0.489627805602 0.409380276667 0.71606415824} H6 5161 -1 1 {} H 0.0 {0.45761803962 0.387758103572 0.700256352009} H13 5162 -1 1 {} H 0.0 {0.440892119878 0.390986726595 0.70217026317} H14 5163 -1 14 {} Si 0.0 {0.321190126356 0.60846859774 0.496036088838} Si1 5164 -1 8 {} O 0.0 {0.335148678082 0.600931328757 0.505395865367} O1 5165 -1 14 {} Si 0.0 {0.333067508512 0.604157509013 0.523424397173} Si2 5166 -1 8 {} O 0.0 {0.319398197166 0.593767902157 0.530055372489} O2 5167 -1 14 {} Si 0.0 {0.310295472989 0.603285041257 0.542911334002} Si3 5168 -1 7 {} N 0.0 {0.322575617586 0.612446275541 0.553579856048} N1 5169 -1 14 {} Si 0.0 {0.318923270337 0.608794757622 0.571510333858} Si4 5170 -1 14 {} Si 0.0 {0.319609990833 0.630606130628 0.551005202776} Si5 5171 -1 7 {} N 0.0 {0.303585152171 0.617905537778 0.576753589399} N2 5172 -1 7 {} N 0.0 {0.333274230425 0.614479346452 0.58188935944} N3 5173 -1 7 {} N 0.0 {0.316450169179 0.5905309911 0.573932775704} N4 5174 -1 7 {} N 0.0 {0.310089005866 0.633167676433 0.535246335679} N5 5175 -1 7 {} N 0.0 {0.309848463096 0.637368573014 0.565309731246} N6 5176 -1 7 {} N 0.0 {0.335929962028 0.639422547036 0.54990704255} N7 5177 -1 8 {} O 0.0 {0.305318222321 0.601138195786 0.501745857757} O3 5178 -1 6 {} C 0.0 {0.323432238778 0.60504223251 0.477659947072} C1 5179 -1 8 {} O 0.0 {0.320917289677 0.626653168613 0.498903723878} O4 5180 -1 7 {} N 0.0 {0.300193873675 0.591645372718 0.553287980019} N8 5181 -1 8 {} O 0.0 {0.299124867188 0.615371732989 0.534688966129} O5 5182 -1 1 {} H 0.0 {0.32994946024 0.61795236191 0.525501254518} H1 5183 -1 1 {} H 0.0 {0.345224920369 0.600954932424 0.53024675348} H2 5184 -1 1 {} H 0.0 {0.305222619734 0.621367971899 0.58670842425} H3 5185 -1 1 {} H 0.0 {0.295702195494 0.610612006915 0.57731332682} H4 5186 -1 1 {} H 0.0 {0.341659311396 0.615510252007 0.575385347823} H5 5187 -1 1 {} H 0.0 {0.33560016989 0.606422143015 0.588624938722} H6 5188 -1 1 {} H 0.0 {0.312452003213 0.589171469327 0.583730851316} H7 5189 -1 1 {} H 0.0 {0.326240829146 0.586078974326 0.573994836768} H8 5190 -1 1 {} H 0.0 {0.312773664704 0.642755585105 0.531459792539} H9 5191 -1 1 {} H 0.0 {0.299698329796 0.633756722907 0.537983458134} H10 5192 -1 1 {} H 0.0 {0.299591759349 0.637364615333 0.562418516146} H11 5193 -1 1 {} H 0.0 {0.312717430752 0.647676208303 0.56639949232} H12 5194 -1 1 {} H 0.0 {0.333897986498 0.649482497648 0.547067393184} H13 5195 -1 1 {} H 0.0 {0.341301113605 0.634953000911 0.541724367484} H14 5196 -1 1 {} H 0.0 {0.303646149353 0.592087888649 0.496700298148} H15 5197 -1 1 {} H 0.0 {0.32763989713 0.595085326483 0.476309053242} H16 5198 -1 1 {} H 0.0 {0.330191171084 0.612451564892 0.473375539446} H17 5199 -1 1 {} H 0.0 {0.313765568957 0.605607717555 0.472642408352} H18 5200 -1 1 {} H 0.0 {0.33045710287 0.629869429399 0.501849967443} H19 5201 -1 1 {} H 0.0 {0.289934242261 0.593924390706 0.551491941006} H20 5202 -1 1 {} H 0.0 {0.302135714795 0.594164411808 0.563540707675} H21 5203 -1 1 {} H 0.0 {0.292274689908 0.610219292424 0.528615868129} H22 5204 -1 7 {} N 0.0 {0.30694548253 0.347622512283 0.525392812351} N3 5205 -1 1 {} H 0.0 {0.291507201375 0.359372811332 0.503571276543} H3 5206 -1 1 {} H 0.0 {0.309204691547 0.34778017418 0.535807469225} H5 5207 -1 1 {} H 0.0 {0.309971435545 0.35715746134 0.521450620212} H6 5208 -1 8 {} O 0.0 {0.350712052524 0.658184038665 0.623020034252} O3 5209 -1 6 {} C 0.0 {0.365302969763 0.684162068008 0.617176399669} C1 5210 -1 7 {} N 0.0 {0.386688936598 0.68758013565 0.6248541684} N8 5211 -1 1 {} H 0.0 {0.358835822148 0.656911442126 0.629556317985} H15 5212 -1 1 {} H 0.0 {0.373083770725 0.677367319513 0.620641249445} H16 5213 -1 1 {} H 0.0 {0.366861606885 0.686403238175 0.606631106151} H18 5214 -1 1 {} H 0.0 {0.344778715392 0.677201016231 0.595766819075} H19 5215 -1 1 {} H 0.0 {0.397159730131 0.685604925782 0.624470036997} H20 5216 -1 14 {} Si 0.0 {0.573366252676 0.67138315573 0.548266110549} Si1 5217 -1 8 {} O 0.0 {0.590666882506 0.668474528984 0.554183160845} O1 5218 -1 14 {} Si 0.0 {0.591740858087 0.651997388 0.562315609836} Si2 5219 -1 8 {} O 0.0 {0.575480640237 0.647961651123 0.5703204759} O2 5220 -1 14 {} Si 0.0 {0.573026387455 0.657259178259 0.586401214707} Si3 5221 -1 7 {} N 0.0 {0.558080150228 0.649277574985 0.594819857731} N1 5222 -1 14 {} Si 0.0 {0.547777096516 0.640851265283 0.581845561344} Si4 5223 -1 14 {} Si 0.0 {0.546888817623 0.661607685268 0.602699023942} Si5 5224 -1 7 {} N 0.0 {0.554974817083 0.643877436974 0.565005198697} N2 5225 -1 7 {} N 0.0 {0.530461304017 0.647635098546 0.582461149039} N3 5226 -1 7 {} N 0.0 {0.547314422025 0.622602260093 0.585265371798} N4 5227 -1 7 {} N 0.0 {0.532170610649 0.66417400192 0.590147694364} N5 5228 -1 7 {} N 0.0 {0.539899603834 0.653698375627 0.618051192586} N6 5229 -1 7 {} N 0.0 {0.556803960925 0.677483195018 0.608727010963} N7 5230 -1 8 {} O 0.0 {0.569719743221 0.66028612632 0.534005966648} O3 5231 -1 6 {} C 0.0 {0.571338389182 0.689515253918 0.54294772221} C1 5232 -1 8 {} O 0.0 {0.561520429493 0.667545611617 0.561682717095} O4 5233 -1 7 {} N 0.0 {0.571487202263 0.676241966668 0.583338640888} N8 5234 -1 8 {} O 0.0 {0.587653634788 0.654379740052 0.597410533756} O5 5235 -1 1 {} H 0.0 {0.602152272131 0.652102884049 0.572071721977} H1 5236 -1 1 {} H 0.0 {0.594663699746 0.642090712074 0.552419087565} H2 5237 -1 1 {} H 0.0 {0.546807895467 0.645698215973 0.558382335774} H3 5238 -1 1 {} H 0.0 {0.559440831019 0.634616898652 0.561864303598} H4 5239 -1 1 {} H 0.0 {0.525428405829 0.642751098483 0.59049317176} H5 5240 -1 1 {} H 0.0 {0.525587159016 0.644469828684 0.573421428944} H6 5241 -1 1 {} H 0.0 {0.545463427556 0.617702492804 0.575999507653} H7 5242 -1 1 {} H 0.0 {0.538668783636 0.620849415786 0.591441505034} H8 5243 -1 1 {} H 0.0 {0.532765569165 0.673253514765 0.585315331675} H9 5244 -1 1 {} H 0.0 {0.522967612541 0.664221738321 0.595677265762} H10 5245 -1 1 {} H 0.0 {0.532204008596 0.647024363579 0.614987395136} H11 5246 -1 1 {} H 0.0 {0.535115182772 0.661550215662 0.62367075268} H12 5247 -1 1 {} H 0.0 {0.551129635754 0.682256236053 0.616412182463} H13 5248 -1 1 {} H 0.0 {0.557492041293 0.684545099032 0.600660795847} H14 5249 -1 1 {} H 0.0 {0.563969404651 0.665482514223 0.526898755467} H15 5250 -1 1 {} H 0.0 {0.579898205856 0.695318631585 0.546406336175} H16 5251 -1 1 {} H 0.0 {0.562178468061 0.693582546372 0.547314119841} H17 5252 -1 1 {} H 0.0 {0.57072335316 0.690100341824 0.532087101404} H18 5253 -1 1 {} H 0.0 {0.55353303209 0.66192171353 0.557825249854} H19 5254 -1 1 {} H 0.0 {0.561335534644 0.679001413195 0.58301266683} H20 5255 -1 1 {} H 0.0 {0.575293250912 0.678196635165 0.573636335259} H21 5256 -1 1 {} H 0.0 {0.592327670952 0.66354068864 0.599482513846} H22 5257 -1 14 {} Si 0.0 {0.378356108487 0.512138634849 0.592373816264} Si1 5258 -1 8 {} O 0.0 {0.389015545655 0.526900116245 0.594425680371} O1 5259 -1 14 {} Si 0.0 {0.38705898655 0.533480984371 0.611437598368} Si2 5260 -1 8 {} O 0.0 {0.369470883935 0.538290905536 0.61420803699} O2 5261 -1 14 {} Si 0.0 {0.361751919163 0.527037138112 0.626629712665} Si3 5262 -1 7 {} N 0.0 {0.363381798759 0.534528294712 0.643583685879} N1 5263 -1 14 {} Si 0.0 {0.376974658799 0.547177122411 0.64273661731} Si4 5264 -1 14 {} Si 0.0 {0.36897001688 0.521073365883 0.655185429889} Si5 5265 -1 7 {} N 0.0 {0.387387907837 0.546239634783 0.658092650638} N2 5266 -1 7 {} N 0.0 {0.369545114249 0.564125088488 0.64127426508} N3 5267 -1 7 {} N 0.0 {0.387576824951 0.543905278744 0.627896626037} N4 5268 -1 7 {} N 0.0 {0.383194838394 0.511797933545 0.647626264791} N5 5269 -1 7 {} N 0.0 {0.374370997431 0.528646635149 0.671286309874} N6 5270 -1 7 {} N 0.0 {0.354878083997 0.509348792806 0.658296988833} N7 5271 -1 8 {} O 0.0 {0.388694376503 0.496962027732 0.593387294373} O3 5272 -1 6 {} C 0.0 {0.369855552325 0.512879195268 0.5756024121} C1 5273 -1 8 {} O 0.0 {0.3656663922 0.511786213031 0.605713076201} O4 5274 -1 7 {} N 0.0 {0.370238475805 0.510495099189 0.62622697332} N8 5275 -1 8 {} O 0.0 {0.343910996212 0.524847362429 0.622658258564} O5 5276 -1 1 {} H 0.0 {0.395466825319 0.544923449931 0.613000913034} H1 5277 -1 1 {} H 0.0 {0.390825693084 0.523459449807 0.620908544837} H2 5278 -1 1 {} H 0.0 {0.386968501678 0.555798509822 0.662774134694} H3 5279 -1 1 {} H 0.0 {0.397556615161 0.544869190331 0.65483652234} H4 5280 -1 1 {} H 0.0 {0.359851307529 0.562957771484 0.63700253762} H5 5281 -1 1 {} H 0.0 {0.375454728386 0.569439557316 0.634028345807} H6 5282 -1 1 {} H 0.0 {0.396879645697 0.540091271821 0.631430473547} H7 5283 -1 1 {} H 0.0 {0.389667741834 0.553493660904 0.623477840279} H8 5284 -1 1 {} H 0.0 {0.382518620011 0.501703720137 0.65098370808} H9 5285 -1 1 {} H 0.0 {0.392170118152 0.515863937847 0.65194843119} H10 5286 -1 1 {} H 0.0 {0.384446707819 0.531870440696 0.670039069051} H11 5287 -1 1 {} H 0.0 {0.374576689599 0.520687647725 0.67852343151} H12 5288 -1 1 {} H 0.0 {0.350341572288 0.512235895502 0.667497665401} H13 5289 -1 1 {} H 0.0 {0.359238681581 0.499652049959 0.659944156981} H14 5290 -1 1 {} H 0.0 {0.394088442661 0.49581385926 0.584468978538} H15 5291 -1 1 {} H 0.0 {0.374998514922 0.506269121725 0.568628003039} H16 5292 -1 1 {} H 0.0 {0.370170445963 0.523100239903 0.571821476214} H17 5293 -1 1 {} H 0.0 {0.359476673166 0.509708324724 0.576635000484} H18 5294 -1 1 {} H 0.0 {0.357315150162 0.506338141737 0.602435535399} H19 5295 -1 1 {} H 0.0 {0.36627850895 0.504715279838 0.634256050899} H20 5296 -1 1 {} H 0.0 {0.380581716749 0.512273002326 0.628545194317} H21 5297 -1 1 {} H 0.0 {0.342894833002 0.517931688079 0.61482737248} H22 5298 -1 14 {} Si 0.0 {0.529339879339 0.681138507684 0.597296009996} Si1 5299 -1 8 {} O 0.0 {0.531811258846 0.696274719821 0.607829165032} O1 5300 -1 14 {} Si 0.0 {0.520067107561 0.710468851434 0.604823362038} Si2 5301 -1 8 {} O 0.0 {0.506025396074 0.706433069063 0.592476600397} O2 5302 -1 14 {} Si 0.0 {0.48909491132 0.713921038052 0.596619069046} Si3 5303 -1 7 {} N 0.0 {0.475375420094 0.703274024587 0.588614693771} N1 5304 -1 14 {} Si 0.0 {0.480468024553 0.696867572238 0.57046681917} Si4 5305 -1 14 {} Si 0.0 {0.460304382287 0.714602455572 0.587253579547} Si5 5306 -1 7 {} N 0.0 {0.477329703485 0.678599475293 0.569240292164} N2 5307 -1 7 {} N 0.0 {0.498572337124 0.70005974882 0.566062295717} N3 5308 -1 7 {} N 0.0 {0.46992893833 0.705554723354 0.557897342709} N4 5309 -1 7 {} N 0.0 {0.449668863374 0.709723367193 0.572864203268} N5 5310 -1 7 {} N 0.0 {0.450301871203 0.713474942193 0.602909210407} N6 5311 -1 7 {} N 0.0 {0.46604227212 0.732204904486 0.585016179238} N7 5312 -1 8 {} O 0.0 {0.527475761011 0.666510041939 0.608785101966} O3 5313 -1 6 {} C 0.0 {0.544665810593 0.678848885953 0.586166968582} C1 5314 -1 8 {} O 0.0 {0.514840695514 0.682513589089 0.586079426888} O4 5315 -1 7 {} N 0.0 {0.487772419145 0.73170186594 0.590121683555} N8 5316 -1 8 {} O 0.0 {0.486043186986 0.71418383878 0.615171898357} O5 5317 -1 1 {} H 0.0 {0.527641409589 0.721492624148 0.599493064843} H1 5318 -1 1 {} H 0.0 {0.51464636329 0.714319804589 0.61755602215} H2 5319 -1 1 {} H 0.0 {0.484021536184 0.674745610938 0.561899267774} H3 5320 -1 1 {} H 0.0 {0.467430899493 0.677499146482 0.56524422313} H4 5321 -1 1 {} H 0.0 {0.504003620696 0.691180159581 0.568060278907} H5 5322 -1 1 {} H 0.0 {0.502423585976 0.707485325555 0.572590232819} H6 5323 -1 1 {} H 0.0 {0.461061475679 0.708587551677 0.562784931877} H7 5324 -1 1 {} H 0.0 {0.46705607141 0.698167186382 0.550665659933} H8 5325 -1 1 {} H 0.0 {0.449028354799 0.718217425008 0.566425415742} H9 5326 -1 1 {} H 0.0 {0.439776072555 0.708120358844 0.576770133265} H10 5327 -1 1 {} H 0.0 {0.44704157511 0.703384087847 0.6038652853} H11 5328 -1 1 {} H 0.0 {0.441461044701 0.719419300479 0.601362415193} H12 5329 -1 1 {} H 0.0 {0.459379465087 0.736758460452 0.577913326412} H14 5330 -1 1 {} H 0.0 {0.531318115458 0.657820004237 0.604302712953} H15 5331 -1 1 {} H 0.0 {0.552022443929 0.685790903409 0.588978152375} H16 5332 -1 1 {} H 0.0 {0.541840992757 0.680537370157 0.575759892622} H17 5333 -1 1 {} H 0.0 {0.548463046287 0.668717443308 0.587226821152} H18 5334 -1 1 {} H 0.0 {0.517777600598 0.687123989418 0.577147642564} H19 5335 -1 1 {} H 0.0 {0.490828332845 0.731797142744 0.579959485243} H20 5336 -1 14 {} Si 0.0 {0.492030806499 0.556988258482 0.385960470938} Si1 5337 -1 8 {} O 0.0 {0.484074430805 0.570991711645 0.394895743141} O1 5338 -1 14 {} Si 0.0 {0.470234362315 0.577469029085 0.384683477206} Si2 5339 -1 8 {} O 0.0 {0.462830899157 0.592347536202 0.392743833109} O2 5340 -1 14 {} Si 0.0 {0.452480848695 0.586516651452 0.406599910385} Si3 5341 -1 7 {} N 0.0 {0.435962037464 0.58024258322 0.400580908439} N1 5342 -1 14 {} Si 0.0 {0.437838011452 0.569816284249 0.384730958547} Si4 5343 -1 14 {} Si 0.0 {0.422021643259 0.59417876719 0.397462673566} Si5 5344 -1 7 {} N 0.0 {0.445927075827 0.579396370103 0.370953177389} N2 5345 -1 7 {} N 0.0 {0.421082916112 0.564105999062 0.378763704853} N3 5346 -1 7 {} N 0.0 {0.4481263662 0.554805036713 0.38858833138} N4 5347 -1 7 {} N 0.0 {0.414922622472 0.60542065501 0.414064398164} N5 5348 -1 7 {} N 0.0 {0.428685041264 0.607983291976 0.388048711078} N6 5349 -1 7 {} N 0.0 {0.408122030436 0.584186416836 0.388621181596} N7 5350 -1 8 {} O 0.0 {0.510279359414 0.557861207978 0.388162688319} O3 5351 -1 6 {} C 0.0 {0.48783005389 0.558074331057 0.367642640444} C1 5352 -1 8 {} O 0.0 {0.485793327192 0.541047693029 0.392688044808} O4 5353 -1 7 {} N 0.0 {0.44996622378 0.59948539086 0.419273862005} N8 5354 -1 8 {} O 0.0 {0.461252426548 0.572403052626 0.41449253561} O5 5355 -1 1 {} H 0.0 {0.460220325057 0.56738265228 0.383414486118} H1 5356 -1 1 {} H 0.0 {0.475087199487 0.580907296547 0.37175760915} H2 5357 -1 1 {} H 0.0 {0.438505833463 0.581116221884 0.363534919951} H3 5358 -1 1 {} H 0.0 {0.453196877913 0.572828613981 0.366514834708} H4 5359 -1 1 {} H 0.0 {0.419617583902 0.568236784845 0.369063083743} H5 5360 -1 1 {} H 0.0 {0.413792814286 0.568630560945 0.385057602221} H6 5361 -1 1 {} H 0.0 {0.454408077852 0.553024772958 0.380178282322} H7 5362 -1 1 {} H 0.0 {0.441324801966 0.546474227518 0.389135809416} H8 5363 -1 1 {} H 0.0 {0.404672080109 0.606721369311 0.412599230828} H9 5364 -1 1 {} H 0.0 {0.418967185638 0.615338382998 0.413219742216} H10 5365 -1 1 {} H 0.0 {0.436940517301 0.612243195882 0.394276421447} H11 5366 -1 1 {} H 0.0 {0.42109695224 0.615267943109 0.388554338771} H12 5367 -1 1 {} H 0.0 {0.407806109582 0.586864653924 0.378472874106} H13 5368 -1 1 {} H 0.0 {0.399172150411 0.586820711269 0.392758073103} H14 5369 -1 1 {} H 0.0 {0.513921102949 0.566624264625 0.38367690067} H15 5370 -1 1 {} H 0.0 {0.496889463262 0.560160251896 0.361941578397} H16 5371 -1 1 {} H 0.0 {0.480602438119 0.56607949843 0.366043202411} H17 5372 -1 1 {} H 0.0 {0.483558211128 0.548622541101 0.364329024859} H18 5373 -1 1 {} H 0.0 {0.482563702055 0.534951377565 0.384762612469} H19 5374 -1 1 {} H 0.0 {0.455559391304 0.596483553662 0.427814686031} H20 5375 -1 1 {} H 0.0 {0.439636668601 0.598888559992 0.422080067491} H21 5376 -1 1 {} H 0.0 {0.461798649087 0.564394594223 0.407687106439} H22 5377 -1 14 {} Si 0.0 {0.432269530735 0.35523724752 0.532108653778} Si1 5378 -1 8 {} O 0.0 {0.427490658689 0.349258886735 0.548800038615} O1 5379 -1 14 {} Si 0.0 {0.409971334264 0.353701391679 0.551956184971} Si2 5380 -1 8 {} O 0.0 {0.408443884068 0.371993295164 0.552836499246} O2 5381 -1 14 {} Si 0.0 {0.391249235968 0.376905745828 0.548619331079} Si3 5382 -1 7 {} N 0.0 {0.383016695894 0.363151656847 0.539064551185} N1 5383 -1 14 {} Si 0.0 {0.373994852343 0.370828875972 0.524803898029} Si4 5384 -1 14 {} Si 0.0 {0.370031314232 0.35557050898 0.549946667092} Si5 5385 -1 7 {} N 0.0 {0.357595953855 0.362296309301 0.522703124698} N2 5386 -1 7 {} N 0.0 {0.384043001448 0.368874178597 0.509329926062} N3 5387 -1 7 {} N 0.0 {0.371209995649 0.388880076439 0.528189259843} N4 5388 -1 7 {} N 0.0 {0.369755923276 0.364251858524 0.566381647343} N5 5389 -1 7 {} N 0.0 {0.353435098049 0.357329709523 0.541741759698} N6 5390 -1 7 {} N 0.0 {0.373781780611 0.337530131029 0.552377306214} N7 5391 -1 8 {} O 0.0 {0.441580911398 0.371032357916 0.53360746142} O3 5392 -1 6 {} C 0.0 {0.416836783225 0.357960784555 0.521734452939} C1 5393 -1 8 {} O 0.0 {0.442786578207 0.342714699587 0.523966024458} O4 5394 -1 7 {} N 0.0 {0.391638294156 0.392317301164 0.538232699589} N8 5395 -1 8 {} O 0.0 {0.381940825834 0.380195461796 0.564118431686} O5 5396 -1 1 {} H 0.0 {0.405730963271 0.347936150821 0.564327331861} H1 5397 -1 1 {} H 0.0 {0.401804080379 0.348731839987 0.541321942909} H2 5398 -1 1 {} H 0.0 {0.359518934502 0.352794879475 0.518277773625} H3 5399 -1 1 {} H 0.0 {0.352050057988 0.367982192194 0.515463086162} H4 5400 -1 1 {} H 0.0 {0.394296276079 0.369678441173 0.512104813116} H5 5401 -1 1 {} H 0.0 {0.38186311253 0.377392602854 0.503143797607} H6 5402 -1 1 {} H 0.0 {0.360710943797 0.390293102816 0.529321299078} H7 5403 -1 1 {} H 0.0 {0.374066991844 0.394161977629 0.519265030901} H8 5404 -1 1 {} H 0.0 {0.361792658469 0.360012701041 0.572060472264} H9 5405 -1 1 {} H 0.0 {0.367010455579 0.374444456691 0.56443605069} H10 5406 -1 1 {} H 0.0 {0.348178103219 0.365040341991 0.546854150414} H11 5407 -1 1 {} H 0.0 {0.348074579918 0.348194929368 0.543622557859} H12 5408 -1 1 {} H 0.0 {0.36865483222 0.334399250887 0.561151319635} H13 5409 -1 1 {} H 0.0 {0.38429870967 0.336818366945 0.554534877729} H14 5410 -1 1 {} H 0.0 {0.435247998717 0.37846192683 0.53744898646} H15 5411 -1 1 {} H 0.0 {0.416446243863 0.368339002593 0.518451959093} H16 5412 -1 1 {} H 0.0 {0.408008592862 0.355695788109 0.527689198009} H17 5413 -1 1 {} H 0.0 {0.417120528736 0.351401499839 0.513022735006} H18 5414 -1 1 {} H 0.0 {0.439827006013 0.341791358084 0.513973072752} H19 5415 -1 1 {} H 0.0 {0.383005827988 0.398033100771 0.54073385065} H20 5416 -1 1 {} H 0.0 {0.390389696418 0.389183807845 0.528016523996} H21 5417 -1 1 {} H 0.0 {0.388715231366 0.381392878584 0.572061599843} H22 5418 -1 14 {} Si 0.0 {0.53948196369 0.683125868138 0.322770519091} Si5 5419 -1 7 {} N 0.0 {0.53169710645 0.684344773147 0.339580854385} N5 5420 -1 7 {} N 0.0 {0.540214115035 0.665274592255 0.317488212152} N6 5421 -1 8 {} O 0.0 {0.516563139935 0.665954622571 0.30414624116} O5 5422 -1 1 {} H 0.0 {0.539584760064 0.685866945295 0.346596785343} H9 5423 -1 1 {} H 0.0 {0.527514562339 0.674676597438 0.341737635626} H10 5424 -1 1 {} H 0.0 {0.530211345514 0.661652668752 0.317213266293} H11 5425 -1 1 {} H 0.0 {0.545195316673 0.659892999323 0.325352136922} H12 5426 -1 1 {} H 0.0 {0.560083001083 0.689166018203 0.333619199812} H14 5427 -1 1 {} H 0.0 {0.511767118161 0.660420980393 0.29663911629} H22 5428 -1 14 {} Si 0.0 {0.457064744552 0.496724993558 0.520046730974} Si1 5429 -1 8 {} O 0.0 {0.463310699132 0.501937636846 0.503518332501} O1 5430 -1 14 {} Si 0.0 {0.451792814209 0.514339111986 0.495885430196} Si2 5431 -1 8 {} O 0.0 {0.450250295739 0.529263057073 0.506948440088} O2 5432 -1 14 {} Si 0.0 {0.452118317305 0.545026329056 0.497216471799} Si3 5433 -1 7 {} N 0.0 {0.444389373342 0.559193291554 0.506518503141} N1 5434 -1 14 {} Si 0.0 {0.432628843443 0.567222005132 0.494741916471} Si4 5435 -1 14 {} Si 0.0 {0.457319089962 0.572224564859 0.509856526903} Si5 5436 -1 7 {} N 0.0 {0.416788574165 0.557744260918 0.494156973979} N2 5437 -1 7 {} N 0.0 {0.440274096809 0.567558476125 0.477829860703} N3 5438 -1 7 {} N 0.0 {0.429361477735 0.584613587479 0.500390407699} N4 5439 -1 7 {} N 0.0 {0.459063654468 0.582682815556 0.494635646617} N5 5440 -1 7 {} N 0.0 {0.451535627667 0.582804416539 0.52414969007} N6 5441 -1 7 {} N 0.0 {0.473904322713 0.564610560191 0.513801962776} N7 5442 -1 8 {} O 0.0 {0.46248740307 0.508841277589 0.532780722739} O3 5443 -1 6 {} C 0.0 {0.463979875105 0.479736454073 0.524303715343} C1 5444 -1 8 {} O 0.0 {0.438705228055 0.49596843611 0.519711240808} O4 5445 -1 7 {} N 0.0 {0.44337073768 0.54316588259 0.480855898084} N8 5446 -1 8 {} O 0.0 {0.469970148886 0.548560911085 0.494273464975} O5 5447 -1 1 {} H 0.0 {0.438926913726 0.508349818457 0.494136382724} H1 5448 -1 1 {} H 0.0 {0.456917065918 0.518288817162 0.483127073356} H2 5449 -1 1 {} H 0.0 {0.40903829866 0.56454341208 0.49655072375} H3 5450 -1 1 {} H 0.0 {0.417189510547 0.550677697635 0.502129888774} H4 5451 -1 1 {} H 0.0 {0.450528117769 0.570199358189 0.479065231989} H5 5452 -1 1 {} H 0.0 {0.435642104815 0.575669961862 0.472522385676} H6 5453 -1 1 {} H 0.0 {0.419562323775 0.584831048172 0.504467878743} H7 5454 -1 1 {} H 0.0 {0.429147888857 0.590728211333 0.491564588447} H8 5455 -1 1 {} H 0.0 {0.469280652036 0.582249501295 0.491706757115} H9 5456 -1 1 {} H 0.0 {0.457133236622 0.592813774753 0.497577155144} H10 5457 -1 1 {} H 0.0 {0.443997445267 0.589333151282 0.52042312288} H11 5458 -1 1 {} H 0.0 {0.459856778538 0.589008782437 0.527029146546} H12 5459 -1 1 {} H 0.0 {0.47571842516 0.565782881654 0.524211116909} H13 5460 -1 1 {} H 0.0 {0.481295407704 0.570537663778 0.508732694862} H14 5461 -1 1 {} H 0.0 {0.469211659632 0.504191265963 0.539379719185} H15 5462 -1 1 {} H 0.0 {0.469046091814 0.480187150825 0.533951059738} H16 5463 -1 1 {} H 0.0 {0.471073707048 0.476665515499 0.516624543556} H17 5464 -1 1 {} H 0.0 {0.455832679205 0.472516790833 0.524817728649} H18 5465 -1 1 {} H 0.0 {0.435335175534 0.489830285881 0.527527046097} H19 5466 -1 1 {} H 0.0 {0.435595274742 0.550444668564 0.480605153667} H20 5467 -1 1 {} H 0.0 {0.438526248016 0.533544699468 0.480991195203} H21 5468 -1 1 {} H 0.0 {0.471288792541 0.558858645801 0.492821596792} H22 5469 -1 14 {} Si 0.0 {0.676680177039 0.433452371368 0.386116327697} Si1 5470 -1 8 {} O 0.0 {0.670472548375 0.449287007333 0.379032380301} O1 5471 -1 14 {} Si 0.0 {0.676308704221 0.463199187693 0.389545129913} Si2 5472 -1 8 {} O 0.0 {0.663278043473 0.47613132314 0.39067711152} O2 5473 -1 14 {} Si 0.0 {0.653560732697 0.476664395142 0.37511660077} Si3 5474 -1 7 {} N 0.0 {0.651645840582 0.494411901049 0.369768102906} N1 5475 -1 14 {} Si 0.0 {0.633180366429 0.498016844084 0.369118110344} Si4 5476 -1 14 {} Si 0.0 {0.65875780017 0.495838528869 0.352353824818} Si5 5477 -1 7 {} N 0.0 {0.626832856696 0.495450091069 0.351646585736} N2 5478 -1 7 {} N 0.0 {0.629920716953 0.515659785682 0.374399890948} N3 5479 -1 7 {} N 0.0 {0.624195618258 0.486464309243 0.380546587317} N4 5480 -1 7 {} N 0.0 {0.647811378172 0.506725419843 0.341913977285} N5 5481 -1 7 {} N 0.0 {0.675756780603 0.503286588689 0.353159654988} N6 5482 -1 7 {} N 0.0 {0.659814954763 0.478925738128 0.344629125576} N7 5483 -1 8 {} O 0.0 {0.670961532607 0.43185856481 0.40350340047} O3 5484 -1 6 {} C 0.0 {0.695449061019 0.433370790554 0.385689176819} C1 5485 -1 8 {} O 0.0 {0.670291236508 0.419291449952 0.376264803791} O4 5486 -1 7 {} N 0.0 {0.636776201773 0.469181788687 0.37805805026} N8 5487 -1 8 {} O 0.0 {0.662276054471 0.467086213038 0.362064827826} O5 5488 -1 1 {} H 0.0 {0.688156303266 0.468847661706 0.383891636764} H1 5489 -1 1 {} H 0.0 {0.679189907227 0.458286465155 0.402600205308} H2 5490 -1 1 {} H 0.0 {0.616426491189 0.497753542735 0.35165915938} H3 5491 -1 1 {} H 0.0 {0.627621122294 0.484921656278 0.349544947622} H4 5492 -1 1 {} H 0.0 {0.62887020689 0.521600627263 0.365647846771} H5 5493 -1 1 {} H 0.0 {0.638697058446 0.519096220755 0.379444200179} H6 5494 -1 1 {} H 0.0 {0.616795596203 0.48141664091 0.374758208051} H7 5495 -1 1 {} H 0.0 {0.618894391303 0.492615812059 0.387563809193} H8 5496 -1 1 {} H 0.0 {0.642090083085 0.500366045899 0.335529278603} H9 5497 -1 1 {} H 0.0 {0.654332780353 0.512345670053 0.335519805859} H10 5498 -1 1 {} H 0.0 {0.676009622406 0.511314091345 0.346145707416} H11 5499 -1 1 {} H 0.0 {0.682569835402 0.495810983652 0.349492853394} H12 5500 -1 1 {} H 0.0 {0.665461357859 0.479907938119 0.335638374636} H13 5501 -1 1 {} H 0.0 {0.649821005908 0.476229459095 0.341680051999} H14 5502 -1 1 {} H 0.0 {0.677646699925 0.425760483435 0.408817935466} H15 5503 -1 1 {} H 0.0 {0.699260160363 0.441716843511 0.391570793208} H16 5504 -1 1 {} H 0.0 {0.698843892565 0.434345057499 0.375375946147} H17 5505 -1 1 {} H 0.0 {0.699127133932 0.423996347302 0.389868530901} H18 5506 -1 1 {} H 0.0 {0.678377772399 0.413762555245 0.3724547189} H19 5507 -1 1 {} H 0.0 {0.630382702515 0.472571490607 0.370244945347} H20 5508 -1 1 {} H 0.0 {0.633027858521 0.473481087841 0.387170283344} H21 5509 -1 1 {} H 0.0 {0.659204612333 0.457035541759 0.362493542661} H22 5510 -1 7 {} N 0.0 {0.490214436425 0.304916253123 0.631411804235} N3 5511 -1 1 {} H 0.0 {0.506972171173 0.293032829447 0.610690666784} H4 5512 -1 1 {} H 0.0 {0.489735554525 0.313108040911 0.624466575529} H6 5513 -1 1 {} H 0.0 {0.474333594557 0.295224632306 0.601723940114} H7 5514 -1 1 {} H 0.0 {0.465905653697 0.30084382293 0.615541102363} H8 5515 -1 14 {} Si 0.0 {0.488201344084 0.697148587656 0.593497079122} Si1 5516 -1 8 {} O 0.0 {0.495431959383 0.706447011378 0.608742040233} O1 5517 -1 14 {} Si 0.0 {0.496589904412 0.725177934005 0.60652264947} Si2 5518 -1 8 {} O 0.0 {0.504274072356 0.727603508536 0.590707198461} O2 5519 -1 14 {} Si 0.0 {0.494519973341 0.716682154087 0.580742260803} Si3 5520 -1 7 {} N 0.0 {0.500025107582 0.697318258683 0.582065516442} N1 5521 -1 14 {} Si 0.0 {0.485558341733 0.684105612798 0.585502870846} Si4 5522 -1 14 {} Si 0.0 {0.513329839206 0.694147021641 0.596068932497} Si5 5523 -1 7 {} N 0.0 {0.484089191933 0.682099233998 0.604097244439} N2 5524 -1 7 {} N 0.0 {0.491013227609 0.667566227341 0.578780074816} N3 5525 -1 7 {} N 0.0 {0.468747557944 0.688405773738 0.577744002834} N4 5526 -1 7 {} N 0.0 {0.508916347301 0.702205814978 0.612068999788} N5 5527 -1 7 {} N 0.0 {0.513978497562 0.675832417593 0.599499502154} N6 5528 -1 7 {} N 0.0 {0.530186519239 0.700299453596 0.590266247753} N7 5529 -1 8 {} O 0.0 {0.48369562936 0.708501533356 0.578689685643} O3 5530 -1 6 {} C 0.0 {0.471800025024 0.688342630898 0.598518265742} C1 5531 -1 8 {} O 0.0 {0.500484905395 0.684127504286 0.588057918508} O4 5532 -1 7 {} N 0.0 {0.495047676696 0.722133502925 0.563118014408} N8 5533 -1 8 {} O 0.0 {0.47678978388 0.718658917846 0.586553988626} O5 5534 -1 1 {} H 0.0 {0.493572248282 0.678855786404 0.607700477326} H3 5535 -1 1 {} H 0.0 {0.477243347619 0.673984344576 0.605821764216} H4 5536 -1 1 {} H 0.0 {0.488256044589 0.660183388819 0.586000769482} H5 5537 -1 1 {} H 0.0 {0.501784698891 0.667683718972 0.578550195935} H6 5538 -1 1 {} H 0.0 {0.465282338878 0.69747281659 0.581688807441} H7 5539 -1 1 {} H 0.0 {0.461831562489 0.680827783968 0.581029894955} H8 5540 -1 1 {} H 0.0 {0.51740336778 0.701190247697 0.618402337347} H9 5541 -1 1 {} H 0.0 {0.501342529188 0.696273080776 0.616416588952} H10 5542 -1 1 {} H 0.0 {0.504371405399 0.671828635277 0.59728041068} H11 5543 -1 1 {} H 0.0 {0.515294768214 0.674816917914 0.610034027195} H12 5544 -1 1 {} H 0.0 {0.537241852057 0.692813233717 0.592388509907} H13 5545 -1 1 {} H 0.0 {0.532881681097 0.708630300125 0.596388262902} H14 5546 -1 1 {} H 0.0 {0.473105754314 0.708638980687 0.576661508684} H15 5547 -1 1 {} H 0.0 {0.463304992302 0.694175525069 0.595069804102} H16 5548 -1 1 {} H 0.0 {0.471302364623 0.68744575139 0.609400567332} H17 5549 -1 1 {} H 0.0 {0.471433070007 0.678410710949 0.593961471333} H18 5550 -1 1 {} H 0.0 {0.49916024289 0.682039486199 0.577738781928} H19 5551 -1 1 {} H 0.0 {0.48915328626 0.730992279558 0.562408648917} H20 5552 -1 1 {} H 0.0 {0.489857919895 0.714571143734 0.557485496417} H21 5553 -1 1 {} H 0.0 {0.476485205846 0.723391802194 0.595953451383} H22 5554 -1 14 {} Si 0.0 {0.5323855238 0.547527439479 0.580671099507} Si1 5555 -1 8 {} O 0.0 {0.525178269455 0.548371195984 0.597546752737} O1 5556 -1 14 {} Si 0.0 {0.507306389802 0.544235491746 0.596607094833} Si2 5557 -1 8 {} O 0.0 {0.497326632485 0.558682144314 0.602045191073} O2 5558 -1 14 {} Si 0.0 {0.479732442675 0.5535817267 0.603462408921} Si3 5559 -1 7 {} N 0.0 {0.468894831486 0.566049241037 0.594786581855} N1 5560 -1 14 {} Si 0.0 {0.456440781483 0.572481502551 0.607010478218} Si4 5561 -1 14 {} Si 0.0 {0.459432953659 0.556835974226 0.581768097913} Si5 5562 -1 7 {} N 0.0 {0.458028858703 0.563259530197 0.623001052761} N2 5563 -1 7 {} N 0.0 {0.43929127243 0.570056826864 0.600252275745} N3 5564 -1 7 {} N 0.0 {0.459437891882 0.590617743114 0.609881313858} N4 5565 -1 7 {} N 0.0 {0.441484989175 0.561600616319 0.582621770595} N5 5566 -1 7 {} N 0.0 {0.466210180704 0.561092586135 0.565002390104} N6 5567 -1 7 {} N 0.0 {0.461146185761 0.538571547738 0.584730136358} N7 5568 -1 8 {} O 0.0 {0.528860427948 0.531034890877 0.573324053719} O3 5569 -1 6 {} C 0.0 {0.55093227314 0.550087810953 0.581610578788} C1 5570 -1 8 {} O 0.0 {0.524921979477 0.560661341347 0.570188721304} O4 5571 -1 7 {} N 0.0 {0.475109984667 0.552392374872 0.621417967319} N8 5572 -1 8 {} O 0.0 {0.477558634732 0.53713899794 0.595513720048} O5 5573 -1 1 {} H 0.0 {0.504538885558 0.533063209308 0.605087813297} H1 5574 -1 1 {} H 0.0 {0.503906968559 0.540931011969 0.583116720661} H2 5575 -1 1 {} H 0.0 {0.450715491926 0.555523337032 0.622920812723} H3 5576 -1 1 {} H 0.0 {0.455151894862 0.570056480898 0.630709774455} H4 5577 -1 1 {} H 0.0 {0.437698496997 0.577587644346 0.592894698636} H5 5578 -1 1 {} H 0.0 {0.432474189967 0.572158963937 0.60831509435} H6 5579 -1 1 {} H 0.0 {0.463989740846 0.591608222457 0.61946312487} H7 5580 -1 1 {} H 0.0 {0.449754422099 0.595277255873 0.610572561965} H8 5581 -1 1 {} H 0.0 {0.435792586093 0.552892129044 0.580335044352} H9 5582 -1 1 {} H 0.0 {0.439760912934 0.568578773415 0.574618053801} H10 5583 -1 1 {} H 0.0 {0.46303873686 0.571011273573 0.562742562555} H11 5584 -1 1 {} H 0.0 {0.461288647098 0.554624222288 0.557960146508} H12 5585 -1 1 {} H 0.0 {0.465186028292 0.534296647371 0.575856624593} H13 5586 -1 1 {} H 0.0 {0.451177400405 0.534665234273 0.585756838382} H14 5587 -1 1 {} H 0.0 {0.535503941239 0.523946380785 0.57732126734} H15 5588 -1 1 {} H 0.0 {0.555952337814 0.542346532454 0.575799636209} H16 5589 -1 1 {} H 0.0 {0.554160671816 0.549505984669 0.591977811214} H17 5590 -1 1 {} H 0.0 {0.55344981502 0.559893567564 0.577565125768} H18 5591 -1 1 {} H 0.0 {0.523584731972 0.56935489327 0.575929458739} H19 5592 -1 1 {} H 0.0 {0.465606686066 0.547619011466 0.621931905728} H20 5593 -1 1 {} H 0.0 {0.473713542351 0.562454093998 0.62492413983} H21 5594 -1 1 {} H 0.0 {0.479536963488 0.529590023368 0.602522647911} H22 5595 -1 14 {} Si 0.0 {0.707234763744 0.48100011206 0.524647069003} Si1 5596 -1 8 {} O 0.0 {0.703221323221 0.463150086812 0.522272125134} O1 5597 -1 14 {} Si 0.0 {0.718079059092 0.452653678363 0.525742849038} Si2 5598 -1 8 {} O 0.0 {0.715703212917 0.43634034463 0.517400640725} O2 5599 -1 14 {} Si 0.0 {0.69769705603 0.433723208187 0.51527868813} Si3 5600 -1 7 {} N 0.0 {0.689947115528 0.434157507906 0.532340537119} N1 5601 -1 14 {} Si 0.0 {0.68387478303 0.417301716955 0.537561229387} Si4 5602 -1 14 {} Si 0.0 {0.675421397122 0.445449792524 0.531195199531} Si5 5603 -1 7 {} N 0.0 {0.668271472453 0.419372008419 0.547548232644} N2 5604 -1 7 {} N 0.0 {0.696931230371 0.409254841968 0.548202355399} N3 5605 -1 7 {} N 0.0 {0.680339535436 0.406585433453 0.522656095593} N4 5606 -1 7 {} N 0.0 {0.659762246502 0.4354542649 0.53055548546} N5 5607 -1 7 {} N 0.0 {0.67513804008 0.456653407366 0.546037045363} N6 5608 -1 7 {} N 0.0 {0.677049861546 0.455640264113 0.515674946641} N7 5609 -1 8 {} O 0.0 {0.693553549579 0.488982398165 0.533802739655} O3 5610 -1 6 {} C 0.0 {0.7092058616 0.489526868527 0.507940053472} C1 5611 -1 8 {} O 0.0 {0.722848835903 0.48257780528 0.534226279166} O4 5612 -1 7 {} N 0.0 {0.694222620471 0.417661412931 0.50608619132} N8 5613 -1 8 {} O 0.0 {0.690842533177 0.447660335549 0.505413365416} O5 5614 -1 1 {} H 0.0 {0.719545358059 0.450790851302 0.539830098696} H1 5615 -1 1 {} H 0.0 {0.729697796533 0.459099802686 0.520354954481} H2 5616 -1 1 {} H 0.0 {0.670821620612 0.424904936937 0.556290890402} H3 5617 -1 1 {} H 0.0 {0.665372093421 0.409554336938 0.550866106848} H4 5618 -1 1 {} H 0.0 {0.701952370605 0.417023485839 0.553383205218} H5 5619 -1 1 {} H 0.0 {0.704157153832 0.404948131013 0.541584229203} H6 5620 -1 1 {} H 0.0 {0.671211872858 0.409965600663 0.518352340969} H7 5621 -1 1 {} H 0.0 {0.678480985446 0.396637293791 0.526310554238} H8 5622 -1 1 {} H 0.0 {0.652707215771 0.44099547145 0.524814500064} H9 5623 -1 1 {} H 0.0 {0.655928281903 0.435084248376 0.540603759392} H10 5624 -1 1 {} H 0.0 {0.683372566621 0.453899357458 0.552225525481} H11 5625 -1 1 {} H 0.0 {0.666227016154 0.454243103171 0.551555062706} H12 5626 -1 1 {} H 0.0 {0.676596294971 0.465887458524 0.518538980973} H13 5627 -1 1 {} H 0.0 {0.668278258688 0.453700785773 0.509741157816} H14 5628 -1 1 {} H 0.0 {0.684413041057 0.48640697711 0.529277008195} H15 5629 -1 1 {} H 0.0 {0.699378525998 0.491108195841 0.503477905336} H16 5630 -1 1 {} H 0.0 {0.715236132413 0.483310025891 0.501339172198} H17 5631 -1 1 {} H 0.0 {0.714126686456 0.499166113987 0.509352564427} H18 5632 -1 1 {} H 0.0 {0.729557124658 0.48870767672 0.528964441273} H19 5633 -1 1 {} H 0.0 {0.686377469276 0.41959009855 0.499138120268} H20 5634 -1 1 {} H 0.0 {0.690367523109 0.410672610216 0.51312584913} H21 5635 -1 1 {} H 0.0 {0.69464674331 0.447223932328 0.495644056265} H22 5636 -1 14 {} Si 0.0 {0.656074273981 0.354636847357 0.439923008359} Si1 5637 -1 8 {} O 0.0 {0.649568189521 0.369506755101 0.431184348697} O1 5638 -1 14 {} Si 0.0 {0.638809448939 0.379073436167 0.442563144922} Si2 5639 -1 8 {} O 0.0 {0.623070106702 0.370001011663 0.44504574719} O2 5640 -1 14 {} Si 0.0 {0.611769488977 0.372841514284 0.430748258761} Si3 5641 -1 7 {} N 0.0 {0.59493815903 0.366741722233 0.435439569389} N1 5642 -1 14 {} Si 0.0 {0.596993344601 0.349141377973 0.440604785796} Si4 5643 -1 14 {} Si 0.0 {0.583985971369 0.366771535885 0.42038764444} Si5 5644 -1 7 {} N 0.0 {0.5880075879 0.338010058446 0.428665590067} N2 5645 -1 7 {} N 0.0 {0.590150532195 0.347337975731 0.45755227219} N3 5646 -1 7 {} N 0.0 {0.615033739422 0.344740679732 0.440864257422} N4 5647 -1 7 {} N 0.0 {0.567821783806 0.358588375998 0.424697975267} N5 5648 -1 7 {} N 0.0 {0.580801955862 0.38427134606 0.415016679036} N6 5649 -1 7 {} N 0.0 {0.592138434858 0.357374192842 0.406598964405} N7 5650 -1 8 {} O 0.0 {0.654124062458 0.339882319709 0.429115619559} O3 5651 -1 6 {} C 0.0 {0.646601468531 0.351941938953 0.45592851184} C1 5652 -1 8 {} O 0.0 {0.67391691859 0.357185205268 0.443759291689} O4 5653 -1 7 {} N 0.0 {0.617912141781 0.363432144052 0.415941622558} N8 5654 -1 8 {} O 0.0 {0.611042165667 0.390803156786 0.426874296813} O5 5655 -1 1 {} H 0.0 {0.636094615289 0.391936225313 0.436966118205} H1 5656 -1 1 {} H 0.0 {0.645417922841 0.380648013297 0.45511514098} H2 5657 -1 1 {} H 0.0 {0.587349410211 0.343229405726 0.41942317904} H3 5658 -1 1 {} H 0.0 {0.577939104094 0.336959208409 0.432273780224} H4 5659 -1 1 {} H 0.0 {0.591277958459 0.356844980572 0.462254901248} H5 5660 -1 1 {} H 0.0 {0.596605002818 0.340517170266 0.462793001226} H6 5661 -1 1 {} H 0.0 {0.616042935232 0.335976267631 0.446860811427} H7 5662 -1 1 {} H 0.0 {0.62004620636 0.352642880865 0.446156515298} H8 5663 -1 1 {} H 0.0 {0.563171435472 0.355729934028 0.415559884783} H9 5664 -1 1 {} H 0.0 {0.561578513151 0.366181270307 0.429075142315} H10 5665 -1 1 {} H 0.0 {0.577381395762 0.389624522313 0.42357750886} H11 5666 -1 1 {} H 0.0 {0.572542207654 0.383920917109 0.408124317647} H12 5667 -1 1 {} H 0.0 {0.5920383233 0.363671254249 0.398012398003} H13 5668 -1 1 {} H 0.0 {0.585713196139 0.349033395036 0.404344002753} H14 5669 -1 1 {} H 0.0 {0.648545212299 0.3325714478 0.4341680813} H15 5670 -1 1 {} H 0.0 {0.646960268428 0.341378229884 0.458618984623} H16 5671 -1 1 {} H 0.0 {0.636239027279 0.354998732839 0.454588166844} H17 5672 -1 1 {} H 0.0 {0.651136066087 0.357854230619 0.463862519816} H18 5673 -1 1 {} H 0.0 {0.675045169944 0.359119786198 0.454017956121} H19 5674 -1 1 {} H 0.0 {0.609845582537 0.362845216014 0.409009633195} H20 5675 -1 1 {} H 0.0 {0.619831869105 0.353374265341 0.419260612255} H21 5676 -1 1 {} H 0.0 {0.614091102081 0.392351699972 0.41695243156} H22 5677 -1 14 {} Si 0.0 {0.687168727624 0.509078122914 0.400315246647} Si1 5678 -1 8 {} O 0.0 {0.7029784109 0.511218992418 0.409384502056} O1 5679 -1 14 {} Si 0.0 {0.705555098676 0.529046106323 0.412988749304} Si2 5680 -1 8 {} O 0.0 {0.714557908728 0.530760332241 0.428925757771} O2 5681 -1 14 {} Si 0.0 {0.703710622849 0.539031836818 0.441269814453} Si3 5682 -1 7 {} N 0.0 {0.703354804621 0.557346837953 0.437794009886} N1 5683 -1 14 {} Si 0.0 {0.702790578167 0.566398610007 0.454057577349} Si4 5684 -1 14 {} Si 0.0 {0.68746956516 0.561151272928 0.428929214362} Si5 5685 -1 7 {} N 0.0 {0.72010447924 0.570518928777 0.459416645898} N2 5686 -1 7 {} N 0.0 {0.69457346794 0.555777720303 0.466963325795} N3 5687 -1 7 {} N 0.0 {0.69312700735 0.582135272381 0.451972481923} N4 5688 -1 7 {} N 0.0 {0.690997376539 0.564037686144 0.410911964686} N5 5689 -1 7 {} N 0.0 {0.675638355616 0.546923681451 0.430743201673} N6 5690 -1 7 {} N 0.0 {0.679920953385 0.576438152382 0.436301805275} N7 5691 -1 8 {} O 0.0 {0.678146996439 0.525108193601 0.399833010584} O3 5692 -1 6 {} C 0.0 {0.676612280669 0.496260347741 0.409080092044} C1 5693 -1 8 {} O 0.0 {0.6907290096 0.503452651684 0.383156665717} O4 5694 -1 7 {} N 0.0 {0.710443548155 0.535995179159 0.458318490872} N8 5695 -1 8 {} O 0.0 {0.686690289123 0.532134774327 0.440090000236} O5 5696 -1 1 {} H 0.0 {0.69288701855 0.535614381918 0.413911032144} H1 5697 -1 1 {} H 0.0 {0.713246555863 0.534975943022 0.402488966161} H2 5698 -1 1 {} H 0.0 {0.719355327877 0.576594049502 0.468133894138} H3 5699 -1 1 {} H 0.0 {0.724313057927 0.576741985521 0.451704739202} H4 5700 -1 1 {} H 0.0 {0.694080559398 0.545877825195 0.463079418865} H5 5701 -1 1 {} H 0.0 {0.684427576373 0.559249383302 0.467815396588} H6 5702 -1 1 {} H 0.0 {0.69939670769 0.58902349792 0.446793459985} H7 5703 -1 1 {} H 0.0 {0.691638358133 0.586168262815 0.461832886034} H8 5704 -1 1 {} H 0.0 {0.683312491798 0.570390198251 0.407168277532} H9 5705 -1 1 {} H 0.0 {0.689806472831 0.554550671078 0.405978916465} H10 5706 -1 1 {} H 0.0 {0.67534752992 0.544344265991 0.441074260307} H11 5707 -1 1 {} H 0.0 {0.680047509466 0.538565363694 0.425605859931} H12 5708 -1 1 {} H 0.0 {0.670188506404 0.573810225132 0.439734313241} H13 5709 -1 1 {} H 0.0 {0.678559474096 0.583410955084 0.428225756665} H14 5710 -1 1 {} H 0.0 {0.674810353436 0.527522548276 0.4095048801} H15 5711 -1 1 {} H 0.0 {0.671764203237 0.500822751223 0.417714558349} H16 5712 -1 1 {} H 0.0 {0.682909479064 0.488008139478 0.412391819898} H17 5713 -1 1 {} H 0.0 {0.66903831884 0.492533182471 0.402217786378} H18 5714 -1 1 {} H 0.0 {0.688694116125 0.493177839697 0.382361742943} H19 5715 -1 1 {} H 0.0 {0.72062077224 0.539132879764 0.458289848957} H20 5716 -1 1 {} H 0.0 {0.710541326088 0.525325385572 0.459729986664} H21 5717 -1 1 {} H 0.0 {0.686671860378 0.523983950006 0.433463301304} H22 5718 -1 14 {} Si 0.0 {0.325759574846 0.451113992688 0.359772337264} Si1 5719 -1 8 {} O 0.0 {0.329738969166 0.451792737006 0.377705386708} O1 5720 -1 14 {} Si 0.0 {0.333208369831 0.46863741285 0.384145969632} Si2 5721 -1 8 {} O 0.0 {0.34846089286 0.473307457669 0.377263919331} O2 5722 -1 14 {} Si 0.0 {0.347066886084 0.490629292197 0.375508677736} Si3 5723 -1 7 {} N 0.0 {0.333877373207 0.49329069355 0.361899499373} N1 5724 -1 14 {} Si 0.0 {0.318298226257 0.483453314162 0.366840278091} Si4 5725 -1 14 {} Si 0.0 {0.338718811071 0.485566966249 0.345216717898} Si5 5726 -1 7 {} N 0.0 {0.307432215921 0.481371843102 0.351916618776} N2 5727 -1 7 {} N 0.0 {0.309207930897 0.492545239206 0.380094256666} N3 5728 -1 7 {} N 0.0 {0.32222072515 0.466274122396 0.37338523894} N4 5729 -1 7 {} N 0.0 {0.354433894479 0.492030674098 0.33908953237} N5 5730 -1 7 {} N 0.0 {0.340543538146 0.467549587837 0.347411108993} N6 5731 -1 7 {} N 0.0 {0.324963602477 0.488655987519 0.332896573291} N7 5732 -1 8 {} O 0.0 {0.31454952392 0.464530150987 0.355153549942} O3 5733 -1 6 {} C 0.0 {0.317648786954 0.433888449932 0.356537233908} C1 5734 -1 8 {} O 0.0 {0.341466730989 0.452803064746 0.349984034334} O4 5735 -1 7 {} N 0.0 {0.364141536885 0.497924432661 0.371734156396} N8 5736 -1 8 {} O 0.0 {0.341122402073 0.497116130065 0.391671141369} O5 5737 -1 1 {} H 0.0 {0.334288106736 0.468355650286 0.398393536955} H1 5738 -1 1 {} H 0.0 {0.323238017043 0.478111808303 0.380328004811} H2 5739 -1 1 {} H 0.0 {0.302702384238 0.471896339908 0.352681572872} H3 5740 -1 1 {} H 0.0 {0.313855561015 0.480956401759 0.343349849705} H4 5741 -1 1 {} H 0.0 {0.315796817024 0.499863277459 0.38395917554} H5 5742 -1 1 {} H 0.0 {0.307482760078 0.48550059273 0.388043080031} H6 5743 -1 1 {} H 0.0 {0.331705279087 0.463673470435 0.370456733246} H7 5744 -1 1 {} H 0.0 {0.315818588848 0.45970000453 0.368591316284} H8 5745 -1 1 {} H 0.0 {0.356747587286 0.486650581586 0.330155890849} H9 5746 -1 1 {} H 0.0 {0.361793621626 0.489198918883 0.346435704971} H10 5747 -1 1 {} H 0.0 {0.349128618536 0.466170469117 0.353723272956} H11 5748 -1 1 {} H 0.0 {0.342983586117 0.463294490818 0.337786697524} H12 5749 -1 1 {} H 0.0 {0.320564715545 0.479225880269 0.330660772048} H13 5750 -1 1 {} H 0.0 {0.329445030525 0.492141060578 0.323751470464} H14 5751 -1 1 {} H 0.0 {0.320227266562 0.472387796316 0.351429766389} H15 5752 -1 1 {} H 0.0 {0.310779440327 0.43160225718 0.36463810187} H16 5753 -1 1 {} H 0.0 {0.325418664286 0.426273591362 0.356196083268} H17 5754 -1 1 {} H 0.0 {0.312151329569 0.433768515379 0.347102947371} H18 5755 -1 1 {} H 0.0 {0.349512624489 0.453227825761 0.356340728806} H19 5756 -1 1 {} H 0.0 {0.363039702964 0.508457932338 0.370292547246} H20 5757 -1 1 {} H 0.0 {0.367337645788 0.493812298443 0.362318792536} H21 5758 -1 1 {} H 0.0 {0.345308325 0.491433359212 0.399462932937} H22 5759 -1 1 {} H 0.0 {0.320286201543 0.331814411416 0.46314968074} H13 5760 -1 14 {} Si 0.0 {0.422798648529 0.420070646842 0.545396744344} Si1 5761 -1 8 {} O 0.0 {0.408296530764 0.43149327859 0.544056197094} O1 5762 -1 14 {} Si 0.0 {0.41227209191 0.447835286958 0.551724551621} Si2 5763 -1 8 {} O 0.0 {0.412373731464 0.446154964903 0.570113630866} O2 5764 -1 14 {} Si 0.0 {0.417632589075 0.429105007239 0.574149386175} Si3 5765 -1 7 {} N 0.0 {0.416016889453 0.425504337146 0.59236917261} N1 5766 -1 14 {} Si 0.0 {0.405224822871 0.410499503858 0.593456951101} Si4 5767 -1 14 {} Si 0.0 {0.406754076194 0.439417247502 0.600805769185} Si5 5768 -1 7 {} N 0.0 {0.401184190927 0.404725074529 0.576247126674} N2 5769 -1 7 {} N 0.0 {0.389505458334 0.414777623555 0.602367291096} N3 5770 -1 7 {} N 0.0 {0.414181159878 0.397030779673 0.602567023964} N4 5771 -1 7 {} N 0.0 {0.391168615035 0.44332039829 0.591480947372} N5 5772 -1 7 {} N 0.0 {0.402374425381 0.43404184219 0.618090589639} N6 5773 -1 7 {} N 0.0 {0.41744255009 0.454597609999 0.601724831419} N7 5774 -1 8 {} O 0.0 {0.42400191786 0.413511422803 0.562561113211} O3 5775 -1 6 {} C 0.0 {0.438570926703 0.429327324672 0.541135143328} C1 5776 -1 8 {} O 0.0 {0.420625829591 0.406031871523 0.533683076454} O4 5777 -1 7 {} N 0.0 {0.435339066627 0.426790717917 0.568950805482} N8 5778 -1 8 {} O 0.0 {0.407008457405 0.417253292208 0.564902933862} O5 5779 -1 1 {} H 0.0 {0.402392728565 0.45740437737 0.547843637702} H1 5780 -1 1 {} H 0.0 {0.425131967967 0.452183840728 0.54723901252} H2 5781 -1 1 {} H 0.0 {0.390575966906 0.404693127926 0.57532369343} H3 5782 -1 1 {} H 0.0 {0.404357087214 0.394475215771 0.575597753561} H4 5783 -1 1 {} H 0.0 {0.38951938215 0.425322053096 0.603914364962} H5 5784 -1 1 {} H 0.0 {0.390155958683 0.410256866805 0.612078552231} H6 5785 -1 1 {} H 0.0 {0.424485330317 0.397765411544 0.599934173692} H7 5786 -1 1 {} H 0.0 {0.410648769998 0.387712242949 0.598518067622} H8 5787 -1 1 {} H 0.0 {0.39244528708 0.452946849099 0.587101658505} H9 5788 -1 1 {} H 0.0 {0.383358766074 0.444322664897 0.598839577871} H10 5789 -1 1 {} H 0.0 {0.401576329282 0.42340861605 0.617987521058} H11 5790 -1 1 {} H 0.0 {0.392515049053 0.437830919794 0.620114618082} H12 5791 -1 1 {} H 0.0 {0.420953917421 0.455365134344 0.611778862964} H13 5792 -1 1 {} H 0.0 {0.410947563761 0.463032032233 0.600119973449} H14 5793 -1 1 {} H 0.0 {0.4294241202 0.404505289537 0.562490001678} H15 5794 -1 1 {} H 0.0 {0.4464777569 0.426401920891 0.548048225038} H16 5795 -1 1 {} H 0.0 {0.436822367605 0.440043568892 0.541939028752} H17 5796 -1 1 {} H 0.0 {0.441570082868 0.426884056028 0.530944715401} H18 5797 -1 1 {} H 0.0 {0.430048914584 0.402649361284 0.530497559347} H19 5798 -1 1 {} H 0.0 {0.440703507683 0.423308551224 0.57746350369} H20 5799 -1 1 {} H 0.0 {0.439197635406 0.436579561066 0.56668648741} H21 5800 -1 1 {} H 0.0 {0.406854539028 0.419854448778 0.554775997881} H22 5801 -1 14 {} Si 0.0 {0.726884552554 0.584502946063 0.488603996068} Si3 5802 -1 14 {} Si 0.0 {0.731982469779 0.559333837738 0.47302887607} Si5 5803 -1 7 {} N 0.0 {0.713474121458 0.559464287915 0.47379537424} N6 5804 -1 7 {} N 0.0 {0.709673976308 0.578657056888 0.484886643582} N8 5805 -1 1 {} H 0.0 {0.1909198673 0.536455571903 0.467380843448} H9 5806 -1 1 {} H 0.0 {0.731659526363 0.53791712227 0.483790946885} H10 5807 -1 1 {} H 0.0 {0.710637993114 0.553923805311 0.482438178298} H11 5808 -1 1 {} H 0.0 {0.710068202366 0.553824067333 0.46530795857} H12 5809 -1 1 {} H 0.0 {0.703132495179 0.583638764173 0.491655873763} H20 5810 -1 1 {} H 0.0 {0.7093643572 0.568265133871 0.487469279648} H21 5811 -1 14 {} Si 0.0 {0.61762622358 0.653132839464 0.625368463566} Si1 5812 -1 8 {} O 0.0 {0.605348023264 0.639462696672 0.626263693237} O1 5813 -1 14 {} Si 0.0 {0.590486165806 0.645096882616 0.635515827752} Si2 5814 -1 8 {} O 0.0 {0.592721638749 0.641566264494 0.653373711034} O2 5815 -1 14 {} Si 0.0 {0.587169276291 0.624404385427 0.656742946398} Si3 5816 -1 7 {} N 0.0 {0.601647370264 0.613018813972 0.65614005408} N1 5817 -1 14 {} Si 0.0 {0.595547397691 0.596343620673 0.649578929629} Si4 5818 -1 14 {} Si 0.0 {0.60753992575 0.611400929205 0.673702248434} Si5 5819 -1 7 {} N 0.0 {0.599802576466 0.582288109073 0.661232042744} N2 5820 -1 7 {} N 0.0 {0.603658538017 0.593168038524 0.633119165373} N3 5821 -1 7 {} N 0.0 {0.577207100779 0.596959230184 0.64720166802} N4 5822 -1 7 {} N 0.0 {0.601623495192 0.595589990777 0.681072749594} N6 5823 -1 8 {} O 0.0 {0.634620605295 0.646107851647 0.625879876216} O3 5824 -1 6 {} C 0.0 {0.615216937836 0.664768544118 0.639945025212} C1 5825 -1 8 {} O 0.0 {0.615302578219 0.662419438971 0.609661654357} O4 5826 -1 7 {} N 0.0 {0.574973912533 0.619227365675 0.643911700418} N8 5827 -1 8 {} O 0.0 {0.579400304493 0.623584217994 0.673417727895} O5 5828 -1 1 {} H 0.0 {0.578986502426 0.63807895881 0.630731319089} H1 5829 -1 1 {} H 0.0 {0.588664871214 0.659146210367 0.633603731017} H2 5830 -1 1 {} H 0.0 {0.591047641217 0.576785425497 0.663076649293} H3 5831 -1 1 {} H 0.0 {0.602581648783 0.586657050466 0.670429152803} H4 5832 -1 1 {} H 0.0 {0.60259535238 0.60204080704 0.627302801586} H5 5833 -1 1 {} H 0.0 {0.597840063194 0.585575602819 0.628210517873} H6 5834 -1 1 {} H 0.0 {0.573027017137 0.588988028549 0.652872571842} H7 5835 -1 1 {} H 0.0 {0.575377035382 0.594652356334 0.636858996681} H8 5836 -1 1 {} H 0.0 {0.591764453839 0.5973221004 0.684656713238} H11 5837 -1 1 {} H 0.0 {0.60771589681 0.593734858923 0.68967843947} H12 5838 -1 1 {} H 0.0 {0.604789496005 0.664536375771 0.643102148188} H17 5839 -1 1 {} H 0.0 {0.606499408034 0.668108240836 0.610245662019} H19 5840 -1 1 {} H 0.0 {0.569867560775 0.610736964175 0.647729985914} H20 5841 -1 1 {} H 0.0 {0.580659398859 0.615854155185 0.635437769053} H21 5842 -1 1 {} H 0.0 {0.582808956674 0.631629202758 0.679262155707} H22 5843 -1 14 {} Si 0.0 {0.623763039699 0.448708521022 0.528425786169} Si1 5844 -1 8 {} O 0.0 {0.607482198889 0.454254184098 0.534824167044} O1 5845 -1 14 {} Si 0.0 {0.599049011226 0.46277233412 0.521310385281} Si2 5846 -1 8 {} O 0.0 {0.594746255329 0.450522911139 0.509889794033} O2 5847 -1 14 {} Si 0.0 {0.605035353959 0.436347077071 0.512354628091} Si3 5848 -1 7 {} N 0.0 {0.602956716541 0.423701958596 0.498426137718} N1 5849 -1 14 {} Si 0.0 {0.612501301121 0.430351934528 0.483902883028} Si4 5850 -1 14 {} Si 0.0 {0.584314724885 0.419163241181 0.49384696348} Si5 5851 -1 7 {} N 0.0 {0.61285289518 0.417740096851 0.469946931398} N2 5852 -1 7 {} N 0.0 {0.629828600421 0.432900075584 0.489856248139} N3 5853 -1 7 {} N 0.0 {0.605437121066 0.448230798363 0.477676111695} N4 5854 -1 7 {} N 0.0 {0.577076949653 0.428292444824 0.478441144314} N5 5855 -1 7 {} N 0.0 {0.58443245134 0.401102430824 0.48946655658} N6 5856 -1 7 {} N 0.0 {0.573103766757 0.421454544079 0.508466100512} N7 5857 -1 8 {} O 0.0 {0.622712985105 0.43098937153 0.523614367019} O3 5858 -1 6 {} C 0.0 {0.636660471333 0.450873874551 0.541656182553} C1 5859 -1 8 {} O 0.0 {0.628391384125 0.458862338977 0.513720192862} O4 5860 -1 7 {} N 0.0 {0.601757535444 0.428856140233 0.529129181128} N8 5861 -1 8 {} O 0.0 {0.622310592643 0.442451276645 0.51196132176} O5 5862 -1 1 {} H 0.0 {0.608020622173 0.472408603356 0.515391607116} H1 5863 -1 1 {} H 0.0 {0.587075619329 0.469419211376 0.525978212008} H2 5864 -1 1 {} H 0.0 {0.622864580208 0.41699421836 0.466549230153} H3 5865 -1 1 {} H 0.0 {0.607016059004 0.42174148163 0.461835477247} H4 5866 -1 1 {} H 0.0 {0.632009857083 0.424949901659 0.496613301606} H5 5867 -1 1 {} H 0.0 {0.629707580032 0.441930794106 0.495719563642} H6 5868 -1 1 {} H 0.0 {0.601183736396 0.44734925561 0.467976798376} H7 5869 -1 1 {} H 0.0 {0.614061787518 0.454694011062 0.476328442386} H8 5870 -1 1 {} H 0.0 {0.566957533561 0.43082462832 0.480503263446} H9 5871 -1 1 {} H 0.0 {0.57680367382 0.421164532263 0.470288181362} H10 5872 -1 1 {} H 0.0 {0.589290754547 0.400227492506 0.479989720398} H11 5873 -1 1 {} H 0.0 {0.574254588553 0.398235159614 0.487889446772} H12 5874 -1 1 {} H 0.0 {0.576049657359 0.414327022979 0.515766399609} H13 5875 -1 1 {} H 0.0 {0.563214727627 0.418534338239 0.505263749563} H14 5876 -1 1 {} H 0.0 {0.629452567866 0.425425332082 0.529363811054} H15 5877 -1 1 {} H 0.0 {0.635711481152 0.442857926914 0.548945733303} H16 5878 -1 1 {} H 0.0 {0.635191041103 0.460461941594 0.546516942127} H17 5879 -1 1 {} H 0.0 {0.646539949384 0.450573400644 0.537174796649} H18 5880 -1 1 {} H 0.0 {0.638653485264 0.457695244695 0.511734993728} H19 5881 -1 1 {} H 0.0 {0.601934976626 0.418337908004 0.527985020043} H20 5882 -1 1 {} H 0.0 {0.591692352671 0.431512330898 0.531878766488} H21 5883 -1 1 {} H 0.0 {0.628595158206 0.43483969974 0.508689919983} H22 5884 -1 14 {} Si 0.0 {0.323790420111 0.408724845613 0.613636623945} Si1 5885 -1 8 {} O 0.0 {0.34209363162 0.41473108406 0.613427142216} O1 5886 -1 14 {} Si 0.0 {0.351066350732 0.409392686251 0.598482525131} Si2 5887 -1 8 {} O 0.0 {0.339385910893 0.407789859844 0.584809156903} O2 5888 -1 14 {} Si 0.0 {0.327221274753 0.422405132368 0.584743391801} Si3 5889 -1 7 {} N 0.0 {0.317656176085 0.424238772625 0.602099507406} N1 5890 -1 14 {} Si 0.0 {0.329523314992 0.421939919611 0.617809206931} Si4 5891 -1 14 {} Si 0.0 {0.300077091516 0.413381378816 0.603465736078} Si5 5892 -1 7 {} N 0.0 {0.343659754712 0.433863005194 0.616234999522} N2 5893 -1 7 {} N 0.0 {0.33701700629 0.403637374841 0.619564678127} N3 5894 -1 7 {} N 0.0 {0.320249056594 0.425998906685 0.633472520381} N4 5895 -1 7 {} N 0.0 {0.28613187272 0.424540300185 0.598352481803} N6 5896 -1 7 {} N 0.0 {0.299689549309 0.398589560247 0.592293484982} N7 5897 -1 8 {} O 0.0 {0.313004247691 0.424076937576 0.615020988463} O3 5898 -1 6 {} C 0.0 {0.320742800986 0.397820293792 0.628833823291} C1 5899 -1 8 {} O 0.0 {0.319924184844 0.398667259999 0.598748339517} O4 5900 -1 7 {} N 0.0 {0.314995516321 0.420846920001 0.570409293303} N8 5901 -1 8 {} O 0.0 {0.337320995001 0.437628826567 0.581935745864} O5 5902 -1 1 {} H 0.0 {0.357394344467 0.396825659399 0.600866735233} H1 5903 -1 1 {} H 0.0 {0.360963804919 0.419156427951 0.595149223871} H2 5904 -1 1 {} H 0.0 {0.349057067323 0.433566133738 0.625420708499} H3 5905 -1 1 {} H 0.0 {0.339333198397 0.443682769013 0.615546014352} H4 5906 -1 1 {} H 0.0 {0.330442409728 0.396312852448 0.615094882598} H5 5907 -1 1 {} H 0.0 {0.337367145383 0.401459514787 0.630035262793} H6 5908 -1 1 {} H 0.0 {0.325454688655 0.433938796774 0.638270837316} H7 5909 -1 1 {} H 0.0 {0.321135330921 0.41742085862 0.63990884601} H8 5910 -1 1 {} H 0.0 {0.292075904427 0.40024248415 0.585192707917} H13 5911 -1 1 {} H 0.0 {0.309226424461 0.424995465175 0.62478575535} H15 5912 -1 1 {} H 0.0 {0.325448071174 0.402272230486 0.637601006527} H17 5913 -1 1 {} H 0.0 {0.324868074384 0.387921642642 0.627072920191} H18 5914 -1 1 {} H 0.0 {0.323429489605 0.388848950993 0.600203825905} H19 5915 -1 1 {} H 0.0 {0.305515052062 0.423449846144 0.573980568552} H20 5916 -1 1 {} H 0.0 {0.314536178499 0.410518730234 0.567766947744} H21 5917 -1 1 {} H 0.0 {0.347026685518 0.436099632602 0.585637277539} H22 5918 -1 14 {} Si 0.0 {0.505123273852 0.683365995833 0.467035679769} Si1 5919 -1 8 {} O 0.0 {0.522966955709 0.687068263791 0.469287381961} O1 5920 -1 14 {} Si 0.0 {0.52690290211 0.687104873816 0.487225857544} Si2 5921 -1 8 {} O 0.0 {0.513640957448 0.695924603903 0.496467244584} O2 5922 -1 14 {} Si 0.0 {0.5171442327 0.694628885648 0.514431346681} Si3 5923 -1 7 {} N 0.0 {0.501264526423 0.693749152298 0.523977007751} N1 5924 -1 14 {} Si 0.0 {0.487209123429 0.693462501907 0.511841551235} Si4 5925 -1 14 {} Si 0.0 {0.499788041063 0.709233879432 0.53442611631} Si5 5926 -1 7 {} N 0.0 {0.471167434888 0.695835409477 0.520920152603} N2 5927 -1 7 {} N 0.0 {0.48703935276 0.67702042416 0.503196324505} N3 5928 -1 7 {} N 0.0 {0.489363859832 0.706981497974 0.499282869776} N4 5929 -1 7 {} N 0.0 {0.481838133271 0.71256430111 0.537876081893} N5 5930 -1 7 {} N 0.0 {0.508833982557 0.706325711531 0.5503880091} N6 5931 -1 7 {} N 0.0 {0.507229249125 0.723988347706 0.52567070834} N7 5932 -1 8 {} O 0.0 {0.495172824351 0.697891705392 0.472353892173} O3 5933 -1 6 {} C 0.0 {0.500468123704 0.668402751678 0.477440934072} C1 5934 -1 8 {} O 0.0 {0.501800592771 0.679804147982 0.449304414099} O4 5935 -1 7 {} N 0.0 {0.526908693649 0.709289793206 0.519965079261} N8 5936 -1 8 {} O 0.0 {0.526892747906 0.679388961438 0.5175518712} O5 5937 -1 1 {} H 0.0 {0.539406215609 0.693716864759 0.489354708107} H1 5938 -1 1 {} H 0.0 {0.527773407547 0.673655264108 0.49191644637} H2 5939 -1 1 {} H 0.0 {0.463308940886 0.694029390714 0.513967580644} H3 5940 -1 1 {} H 0.0 {0.470613608049 0.706249648404 0.523536745227} H4 5941 -1 1 {} H 0.0 {0.496297533405 0.672207160401 0.505406225659} H5 5942 -1 1 {} H 0.0 {0.487113171189 0.679089303943 0.492645030337} H6 5943 -1 1 {} H 0.0 {0.479729549009 0.709133329668 0.495279286228} H7 5944 -1 1 {} H 0.0 {0.495159714905 0.702817388411 0.491237050727} H8 5945 -1 1 {} H 0.0 {0.48134567352 0.718976554025 0.546350220622} H9 5946 -1 1 {} H 0.0 {0.477498017223 0.703217954846 0.540826037862} H10 5947 -1 1 {} H 0.0 {0.506391086516 0.696526463299 0.553627410207} H11 5948 -1 1 {} H 0.0 {0.504772954911 0.713041770715 0.557544287351} H12 5949 -1 1 {} H 0.0 {0.513599818566 0.72893964452 0.532619019203} H13 5950 -1 1 {} H 0.0 {0.499160834159 0.730785800246 0.523630778452} H14 5951 -1 1 {} H 0.0 {0.48509989742 0.695090602552 0.473215031002} H15 5952 -1 1 {} H 0.0 {0.503263728852 0.670185221043 0.487825600693} H16 5953 -1 1 {} H 0.0 {0.50572994562 0.659609076506 0.473723405239} H17 5954 -1 1 {} H 0.0 {0.489715651257 0.666739653559 0.476807726306} H18 5955 -1 1 {} H 0.0 {0.508865507893 0.684811113002 0.44336375083} H19 5956 -1 1 {} H 0.0 {0.529540460922 0.707565898554 0.530063034281} H20 5957 -1 1 {} H 0.0 {0.520231643392 0.717667475085 0.519906554633} H21 5958 -1 1 {} H 0.0 {0.525312628482 0.672582756342 0.509720951206} H22 5959 -1 14 {} Si 0.0 {0.664743877666 0.411669844643 0.484434254539} Si1 5960 -1 8 {} O 0.0 {0.679754193357 0.401617426985 0.480751850514} O1 5961 -1 14 {} Si 0.0 {0.680016000848 0.386697608353 0.491535799267} Si2 5962 -1 8 {} O 0.0 {0.677541763905 0.391724823295 0.50906586944} O2 5963 -1 14 {} Si 0.0 {0.693013608586 0.388434857183 0.518392476509} Si3 5964 -1 7 {} N 0.0 {0.6946081884 0.400313886322 0.532621723705} N1 5965 -1 14 {} Si 0.0 {0.678605375379 0.400576481957 0.542423242259} Si4 5966 -1 14 {} Si 0.0 {0.697477659967 0.417334332872 0.52541644399} Si5 5967 -1 7 {} N 0.0 {0.68141354562 0.409777859774 0.55841441898} N2 5968 -1 7 {} N 0.0 {0.673402748255 0.383165024774 0.546238090835} N3 5969 -1 7 {} N 0.0 {0.665159654078 0.409059060151 0.532580481286} N4 5970 -1 7 {} N 0.0 {0.708482482815 0.415659164403 0.510358096635} N5 5971 -1 7 {} N 0.0 {0.680898797241 0.424884067925 0.520583808063} N6 5972 -1 7 {} N 0.0 {0.705932358108 0.42813094414 0.538045937296} N7 5973 -1 8 {} O 0.0 {0.663327735188 0.414126257512 0.502596568177} O3 5974 -1 6 {} C 0.0 {0.649392410584 0.402760135599 0.478103235081} C1 5975 -1 8 {} O 0.0 {0.666178654146 0.428017115505 0.476126018974} O4 5976 -1 7 {} N 0.0 {0.707562815719 0.390615854929 0.507006560439} N8 5977 -1 8 {} O 0.0 {0.69284372715 0.371197924353 0.524777721839} O5 5978 -1 1 {} H 0.0 {0.692656378004 0.380125426362 0.490222445667} H1 5979 -1 1 {} H 0.0 {0.669583516353 0.37774204271 0.487612203633} H2 5980 -1 1 {} H 0.0 {0.688419528969 0.404139992888 0.564105252314} H3 5981 -1 1 {} H 0.0 {0.67214984136 0.409483638471 0.563861703488} H4 5982 -1 1 {} H 0.0 {0.673313876915 0.377810579485 0.537035522632} H5 5983 -1 1 {} H 0.0 {0.663190631831 0.383674746254 0.549592852334} H6 5984 -1 1 {} H 0.0 {0.668079188505 0.41922231443 0.531230739866} H7 5985 -1 1 {} H 0.0 {0.6563645864 0.409204500067 0.538791869398} H8 5986 -1 1 {} H 0.0 {0.717699778431 0.411491064018 0.513612171034} H9 5987 -1 1 {} H 0.0 {0.710651503324 0.425611556906 0.506915546202} H10 5988 -1 1 {} H 0.0 {0.678148470129 0.420838396426 0.511178603451} H11 5989 -1 1 {} H 0.0 {0.682465971216 0.43540698304 0.519004004569} H12 5990 -1 1 {} H 0.0 {0.698735469549 0.430549318122 0.545514917007} H13 5991 -1 1 {} H 0.0 {0.708400506256 0.437345642857 0.533078494193} H14 5992 -1 1 {} H 0.0 {0.653770943279 0.411172592627 0.505776736443} H15 5993 -1 1 {} H 0.0 {0.646706419766 0.39477049065 0.485022789782} H16 5994 -1 1 {} H 0.0 {0.651426986177 0.398520811927 0.468261858999} H17 5995 -1 1 {} H 0.0 {0.641148834095 0.409825263707 0.477363102342} H18 5996 -1 1 {} H 0.0 {0.664132285455 0.426911482865 0.465882009501} H19 5997 -1 1 {} H 0.0 {0.704672027105 0.397946348578 0.49967093342} H21 5998 -1 6 {} C 0.0 {0.697762415453 0.527068819126 0.605364183399} C1 5999 -1 1 {} H 0.0 {0.683970275953 0.525754696464 0.631215405883} H15 6000 -1 1 {} H 0.0 {0.688534987664 0.521396763042 0.606552048429} H16 6001 -1 1 {} H 0.0 {0.704520524832 0.521671935725 0.59873150899} H17 6002 -1 1 {} H 0.0 {0.695507667115 0.536834430526 0.601095388964} H18 6003 -1 14 {} Si 0.0 {0.328674421572 0.469756801929 0.434441216124} Si1 6004 -1 8 {} O 0.0 {0.31431968371 0.479679552861 0.439860095883} O1 6005 -1 14 {} Si 0.0 {0.317258393614 0.497109009245 0.435209913109} Si2 6006 -1 8 {} O 0.0 {0.306848449889 0.501584975053 0.420741516909} O2 6007 -1 14 {} Si 0.0 {0.30028611557 0.518293322354 0.423816129385} Si3 6008 -1 7 {} N 0.0 {0.303764042209 0.522380196255 0.441492939169} N1 6009 -1 14 {} Si 0.0 {0.28844551117 0.518929171557 0.451365907914} Si4 6010 -1 14 {} Si 0.0 {0.307116835204 0.540433207288 0.442364455359} Si5 6011 -1 7 {} N 0.0 {0.292587337657 0.519440213339 0.469469921649} N2 6012 -1 7 {} N 0.0 {0.281994729417 0.502049439321 0.447027090368} N3 6013 -1 7 {} N 0.0 {0.275542792304 0.53175057246 0.447578211612} N4 6014 -1 7 {} N 0.0 {0.31171245279 0.544823509248 0.45997734211} N5 6015 -1 7 {} N 0.0 {0.321228616936 0.544537680153 0.430604564813} N6 6016 -1 7 {} N 0.0 {0.291942510359 0.549892530297 0.437373274471} N7 6017 -1 8 {} O 0.0 {0.332443746426 0.473886423038 0.416946862518} O3 6018 -1 6 {} C 0.0 {0.32449120192 0.451552131101 0.435959513797} C1 6019 -1 8 {} O 0.0 {0.343225027683 0.473651453146 0.444977281834} O4 6020 -1 7 {} N 0.0 {0.282003758731 0.518722500065 0.420726884735} N8 6021 -1 8 {} O 0.0 {0.30870390076 0.530455240722 0.412839785339} O5 6022 -1 1 {} H 0.0 {0.331047464742 0.498892646598 0.431894376309} H1 6023 -1 1 {} H 0.0 {0.313891509255 0.505557765604 0.446238619687} H2 6024 -1 1 {} H 0.0 {0.285577385676 0.513184215892 0.474487138053} H3 6025 -1 1 {} H 0.0 {0.290661719004 0.529483879224 0.472791973727} H4 6026 -1 1 {} H 0.0 {0.28263495803 0.501038439696 0.436439735618} H5 6027 -1 1 {} H 0.0 {0.271525002217 0.502017545601 0.449502220615} H6 6028 -1 1 {} H 0.0 {0.280635966221 0.540934301323 0.445859588457} H7 6029 -1 1 {} H 0.0 {0.269795061295 0.533083567221 0.456570396452} H8 6030 -1 1 {} H 0.0 {0.308265930885 0.554730534435 0.461802717084} H9 6031 -1 1 {} H 0.0 {0.322471312149 0.545161921378 0.460454952112} H10 6032 -1 1 {} H 0.0 {0.326965946378 0.535655029779 0.429341774353} H11 6033 -1 1 {} H 0.0 {0.327672229821 0.551650493182 0.435589069948} H12 6034 -1 1 {} H 0.0 {0.294187939966 0.554849201407 0.428221089868} H13 6035 -1 1 {} H 0.0 {0.290549837428 0.557587525529 0.444764526521} H14 6036 -1 1 {} H 0.0 {0.339122701225 0.481975196392 0.416624579276} H15 6037 -1 1 {} H 0.0 {0.314506282476 0.450483042919 0.440159815964} H16 6038 -1 1 {} H 0.0 {0.331743906514 0.446760186457 0.442486374768} H17 6039 -1 1 {} H 0.0 {0.324770937792 0.446885403656 0.426175199171} H18 6040 -1 1 {} H 0.0 {0.351410000506 0.467848676858 0.441889723695} H19 6041 -1 1 {} H 0.0 {0.279134846508 0.52897441612 0.420403517608} H20 6042 -1 1 {} H 0.0 {0.277334070482 0.514545459119 0.429415874902} H21 6043 -1 1 {} H 0.0 {0.318843072462 0.527906423177 0.411919651383} H22 6044 -1 14 {} Si 0.0 {0.676378624772 0.56936561556 0.608060004784} Si1 6045 -1 8 {} O 0.0 {0.665385196209 0.583776405299 0.604863397229} O1 6046 -1 14 {} Si 0.0 {0.675559291967 0.598293462645 0.599883963691} Si2 6047 -1 7 {} N 0.0 {0.660159619133 0.60807272877 0.643255321578} N5 6048 -1 7 {} N 0.0 {0.650715008957 0.627659070075 0.622055192596} N7 6049 -1 8 {} O 0.0 {0.693863770964 0.575036446053 0.608810503715} O3 6050 -1 6 {} C 0.0 {0.674454618662 0.556795072714 0.594204618433} C1 6051 -1 8 {} O 0.0 {0.671762556922 0.561575994331 0.624078059366} O4 6052 -1 8 {} O 0.0 {0.67200493337 0.594913147908 0.63374043018} O5 6053 -1 1 {} H 0.0 {0.667858344164 0.610246240319 0.601405550135} H1 6054 -1 1 {} H 0.0 {0.679497306042 0.596878823099 0.586207327522} H2 6055 -1 1 {} H 0.0 {0.651132592036 0.609433341387 0.64873730157} H9 6056 -1 1 {} H 0.0 {0.641420075724 0.628151341533 0.627241167246} H13 6057 -1 1 {} H 0.0 {0.650195845581 0.61902865658 0.615655885105} H14 6058 -1 1 {} H 0.0 {0.699110335656 0.571265590182 0.600534446496} H15 6059 -1 1 {} H 0.0 {0.683499744429 0.556676992002 0.588122994554} H16 6060 -1 1 {} H 0.0 {0.665929310775 0.559517072897 0.587983749685} H17 6061 -1 1 {} H 0.0 {0.67282149808 0.546899570923 0.598477718366} H18 6062 -1 1 {} H 0.0 {0.6672461024 0.55227193231 0.622258479259} H19 6063 -1 1 {} H 0.0 {0.673893482305 0.584810477203 0.631594537923} H22 6064 -1 14 {} Si 0.0 {0.63633855377 0.438564467884 0.584944326646} Si1 6065 -1 8 {} O 0.0 {0.627777622136 0.449855790625 0.572845369803} O1 6066 -1 14 {} Si 0.0 {0.616341843911 0.46170134272 0.581294641995} Si2 6067 -1 8 {} O 0.0 {0.60053564918 0.453151431723 0.585401149201} O2 6068 -1 14 {} Si 0.0 {0.586349363216 0.464770724936 0.583186011817} Si3 6069 -1 7 {} N 0.0 {0.585897080827 0.470829181941 0.565587798698} N1 6070 -1 14 {} Si 0.0 {0.573973171889 0.485062659116 0.564592447732} Si4 6071 -1 14 {} Si 0.0 {0.578876116084 0.457076906289 0.555337163471} Si5 6072 -1 7 {} N 0.0 {0.583370527514 0.500786583343 0.561925700536} N2 6073 -1 7 {} N 0.0 {0.56433591386 0.486249261492 0.580367046303} N3 6074 -1 7 {} N 0.0 {0.562302407763 0.482439762233 0.550362022776} N4 6075 -1 7 {} N 0.0 {0.569882202853 0.464192995003 0.540675913734} N5 6076 -1 7 {} N 0.0 {0.592719582161 0.446240123513 0.549678695996} N6 6077 -1 7 {} N 0.0 {0.567132591474 0.446991053437 0.56553340217} N7 6078 -1 8 {} O 0.0 {0.624806253354 0.424923608242 0.590040808828} O3 6079 -1 6 {} C 0.0 {0.641786992128 0.448372702934 0.600612318309} C1 6080 -1 8 {} O 0.0 {0.651373993146 0.431686852248 0.576501445208} O4 6081 -1 7 {} N 0.0 {0.588293956153 0.479167513189 0.59472632397} N8 6082 -1 8 {} O 0.0 {0.570671677912 0.455959872872 0.586947958106} O5 6083 -1 1 {} H 0.0 {0.613649473322 0.472684689958 0.572525948354} H1 6084 -1 1 {} H 0.0 {0.622424258417 0.466605377521 0.593269396707} H2 6085 -1 1 {} H 0.0 {0.580157406676 0.507662898948 0.569400045083} H3 6086 -1 1 {} H 0.0 {0.580084320465 0.504770238643 0.552471545632} H4 6087 -1 1 {} H 0.0 {0.567300829575 0.478079940889 0.586484072702} H5 6088 -1 1 {} H 0.0 {0.554024211936 0.484587767571 0.577808186565} H6 6089 -1 1 {} H 0.0 {0.566562149577 0.487267064907 0.541859536787} H7 6090 -1 1 {} H 0.0 {0.5532955074 0.487824268711 0.552734783995} H8 6091 -1 1 {} H 0.0 {0.570612591826 0.457120264771 0.532760099676} H9 6092 -1 1 {} H 0.0 {0.5754215244 0.472883027435 0.537564750626} H10 6093 -1 1 {} H 0.0 {0.600962760679 0.452555116178 0.547636546107} H11 6094 -1 1 {} H 0.0 {0.589702996984 0.442033905038 0.540384086696} H12 6095 -1 1 {} H 0.0 {0.570954548643 0.437031665984 0.565761280954} H13 6096 -1 1 {} H 0.0 {0.557890623933 0.446584460058 0.56006223219} H14 6097 -1 1 {} H 0.0 {0.62964901958 0.415649713935 0.589343577981} H15 6098 -1 1 {} H 0.0 {0.65265812842 0.449184230524 0.600940026182} H16 6099 -1 1 {} H 0.0 {0.63829187195 0.443109035194 0.609556779127} H17 6100 -1 1 {} H 0.0 {0.63745533039 0.458402635899 0.600402960058} H18 6101 -1 1 {} H 0.0 {0.653137711186 0.437009350461 0.567629605438} H19 6102 -1 1 {} H 0.0 {0.582258660148 0.487072276379 0.590942705941} H20 6103 -1 1 {} H 0.0 {0.598512279208 0.482420519932 0.593884762986} H21 6104 -1 1 {} H 0.0 {0.572581749072 0.448149793499 0.593694040687} H22 6105 -1 14 {} Si 0.0 {0.471181746929 0.719569028655 0.394565639167} Si1 6106 -1 8 {} O 0.0 {0.462319404852 0.735554800611 0.391356062995} O1 6107 -1 7 {} N 0.0 {0.476845310809 0.715386195945 0.348342142446} N1 6108 -1 14 {} Si 0.0 {0.480594209487 0.69914032605 0.357591227943} Si4 6109 -1 7 {} N 0.0 {0.497007845893 0.700427455505 0.366135125675} N2 6110 -1 7 {} N 0.0 {0.481140999805 0.685264924237 0.345200741438} N3 6111 -1 7 {} N 0.0 {0.467114572719 0.695646804103 0.370004650335} N4 6112 -1 7 {} N 0.0 {0.496262540021 0.69747261462 0.334540795191} N5 6113 -1 8 {} O 0.0 {0.486167698124 0.718453430757 0.383878116081} O3 6114 -1 6 {} C 0.0 {0.459769897543 0.705182429055 0.390730153296} C1 6115 -1 8 {} O 0.0 {0.476224785306 0.718665380705 0.412180773806} O4 6116 -1 7 {} N 0.0 {0.503540078699 0.722971146315 0.361104664673} N8 6117 -1 1 {} H 0.0 {0.504385396545 0.696885425758 0.359296947308} H3 6118 -1 1 {} H 0.0 {0.496780077401 0.693435866422 0.374278316646} H4 6119 -1 1 {} H 0.0 {0.471499984728 0.684714639428 0.340641793228} H5 6120 -1 1 {} H 0.0 {0.482397060775 0.676177582012 0.350790166759} H6 6121 -1 1 {} H 0.0 {0.469128454359 0.686101528828 0.3742364558} H7 6122 -1 1 {} H 0.0 {0.457956523215 0.694650824621 0.364406436121} H8 6123 -1 1 {} H 0.0 {0.504152208149 0.701021012239 0.340762030134} H9 6124 -1 1 {} H 0.0 {0.500745793821 0.695066998372 0.324984101653} H10 6125 -1 1 {} H 0.0 {0.492328621701 0.710651822375 0.38728197363} H15 6126 -1 1 {} H 0.0 {0.465649888648 0.696054549307 0.38974083706} H16 6127 -1 1 {} H 0.0 {0.454478041997 0.707126543293 0.381414662452} H17 6128 -1 1 {} H 0.0 {0.452576802618 0.70400649707 0.398828383583} H18 6129 -1 1 {} H 0.0 {0.480791872066 0.709367195931 0.414026200891} H19 6130 -1 1 {} H 0.0 {0.502193229063 0.720463771722 0.371326437986} H20 6131 -1 14 {} Si 0.0 {0.414884229583 0.618072248116 0.691246342796} Si5 6132 -1 7 {} N 0.0 {0.413718608753 0.602160743676 0.700727202688} N5 6133 -1 7 {} N 0.0 {0.419519694146 0.614444853226 0.673657460395} N6 6134 -1 7 {} N 0.0 {0.427773909389 0.629036650354 0.698944972745} N7 6135 -1 1 {} H 0.0 {0.384912166053 0.640925616349 0.669233546749} H2 6136 -1 1 {} H 0.0 {0.387385512933 0.596585484618 0.695314992201} H5 6137 -1 1 {} H 0.0 {0.419484169033 0.603315699428 0.709593032051} H9 6138 -1 1 {} H 0.0 {0.418655354603 0.594704580682 0.694801453626} H10 6139 -1 1 {} H 0.0 {0.412924286275 0.606845982329 0.670196456381} H11 6140 -1 1 {} H 0.0 {0.429346827372 0.610090975266 0.673898668396} H12 6141 -1 1 {} H 0.0 {0.436443391952 0.628487184845 0.69262411585} H14 6142 -1 1 {} H 0.0 {0.413614550759 0.653764148094 0.678366893244} H22 6143 -1 14 {} Si 0.0 {0.60783242948 0.45108388713 0.45440785789} Si1 6144 -1 8 {} O 0.0 {0.603201730347 0.466638266699 0.463040109289} O1 6145 -1 14 {} Si 0.0 {0.585260487914 0.470449003792 0.461197459668} Si2 6146 -1 8 {} O 0.0 {0.582407799423 0.479386617667 0.445660789319} O2 6147 -1 14 {} Si 0.0 {0.588399987608 0.496729182643 0.447207292476} Si3 6148 -1 7 {} N 0.0 {0.588029625627 0.505576512696 0.430512164977} N1 6149 -1 14 {} Si 0.0 {0.573073139145 0.500209855931 0.419523474147} Si4 6150 -1 14 {} Si 0.0 {0.604284696982 0.5051745598 0.421485770539} Si5 6151 -1 7 {} N 0.0 {0.578793973139 0.497657340149 0.402027540822} N2 6152 -1 7 {} N 0.0 {0.559249446933 0.513657255243 0.419613836746} N3 6153 -1 7 {} N 0.0 {0.566046003911 0.484304169802 0.426039692363} N4 6154 -1 7 {} N 0.0 {0.613019563942 0.521629941944 0.423896691003} N5 6155 -1 7 {} N 0.0 {0.617852414735 0.490131628465 0.426343867712} N6 6156 -1 7 {} N 0.0 {0.599945220175 0.503425176741 0.403041780729} N7 6157 -1 8 {} O 0.0 {0.621504605258 0.443158373198 0.463855407829} O3 6158 -1 6 {} C 0.0 {0.613506534811 0.455158800392 0.437234601808} C1 6159 -1 8 {} O 0.0 {0.593508136909 0.439521951196 0.453331632354} O4 6160 -1 7 {} N 0.0 {0.605269281244 0.497133420744 0.454978623614} N8 6161 -1 8 {} O 0.0 {0.577238902728 0.505943145873 0.458299599496} O5 6162 -1 1 {} H 0.0 {0.581106214793 0.478713191712 0.472102034248} H1 6163 -1 1 {} H 0.0 {0.577668511429 0.458378156719 0.461130516585} H2 6164 -1 1 {} H 0.0 {0.577984058223 0.507044085336 0.397047980354} H3 6165 -1 1 {} H 0.0 {0.571628948164 0.491119255053 0.397384474707} H4 6166 -1 1 {} H 0.0 {0.560828701573 0.520457532794 0.427654340976} H5 6167 -1 1 {} H 0.0 {0.550179112999 0.508926856635 0.421334625587} H6 6168 -1 1 {} H 0.0 {0.570056131982 0.476429293581 0.420117773929} H7 6169 -1 1 {} H 0.0 {0.555491093966 0.484570355653 0.424031565259} H8 6170 -1 1 {} H 0.0 {0.609360194775 0.528257712477 0.416594121616} H9 6171 -1 1 {} H 0.0 {0.623407173114 0.52015236473 0.421576538588} H10 6172 -1 1 {} H 0.0 {0.627250736892 0.494724037593 0.429421604914} H11 6173 -1 1 {} H 0.0 {0.620509029342 0.484587676604 0.417121589745} H12 6174 -1 1 {} H 0.0 {0.608767660388 0.500509385911 0.397757398045} H13 6175 -1 1 {} H 0.0 {0.597352732763 0.513256907209 0.399507281165} H14 6176 -1 1 {} H 0.0 {0.629554895175 0.44972603529 0.464355332926} H15 6177 -1 1 {} H 0.0 {0.621636011199 0.462378247527 0.437735627346} H16 6178 -1 1 {} H 0.0 {0.605179388262 0.459400631239 0.431646883732} H17 6179 -1 1 {} H 0.0 {0.616919329618 0.446093053656 0.432300956976} H18 6180 -1 1 {} H 0.0 {0.588232192079 0.441351521649 0.444440379398} H19 6181 -1 1 {} H 0.0 {0.606215070939 0.506501670505 0.459988715006} H20 6182 -1 1 {} H 0.0 {0.612121718332 0.497333025111 0.447222703441} H21 6183 -1 1 {} H 0.0 {0.582843464207 0.510274568967 0.466071592548} H22 6184 -1 8 {} O 0.0 {0.592450068702 0.493185261223 0.262787013309} O1 6185 -1 8 {} O 0.0 {0.616993103757 0.504966096219 0.275308363124} O4 6186 -1 14 {} Si 0.0 {0.591804053623 0.615470013738 0.452870120529} Si1 6187 -1 8 {} O 0.0 {0.589172655845 0.62997055405 0.441904146599} O1 6188 -1 14 {} Si 0.0 {0.605143184805 0.638550258838 0.439047592818} Si2 6189 -1 8 {} O 0.0 {0.601962969903 0.656484405535 0.436579229725} O2 6190 -1 14 {} Si 0.0 {0.61790079132 0.665283402281 0.434225601515} Si3 6191 -1 7 {} N 0.0 {0.614486249625 0.682719666376 0.428839217177} N1 6192 -1 14 {} Si 0.0 {0.612827231992 0.682391117539 0.410355276691} Si4 6193 -1 14 {} Si 0.0 {0.629495480051 0.693004148673 0.432923384485} Si5 6194 -1 7 {} N 0.0 {0.617807251515 0.69880965709 0.40346577382} N2 6195 -1 7 {} N 0.0 {0.595097972379 0.678853134805 0.405839257812} N3 6196 -1 7 {} N 0.0 {0.623955114282 0.669172411341 0.40334338083} N4 6197 -1 7 {} N 0.0 {0.644343443615 0.686309373433 0.423933710525} N5 6198 -1 7 {} N 0.0 {0.632583303284 0.692442398878 0.451233074998} N7 6199 -1 8 {} O 0.0 {0.591892382918 0.600072689562 0.442810822323} O3 6200 -1 6 {} C 0.0 {0.577836362957 0.614730056805 0.465405439748} C1 6201 -1 8 {} O 0.0 {0.607905076425 0.617190722048 0.461635914259} O4 6202 -1 7 {} N 0.0 {0.62773306442 0.656644729112 0.42112828753} N8 6203 -1 8 {} O 0.0 {0.627305434842 0.665316401537 0.45001454264} O5 6204 -1 1 {} H 0.0 {0.611444858265 0.633136314641 0.427405812039} H1 6205 -1 1 {} H 0.0 {0.613664731987 0.636724813559 0.450378740988} H2 6206 -1 1 {} H 0.0 {0.618134454402 0.697784418715 0.392881649072} H3 6207 -1 1 {} H 0.0 {0.627902293602 0.700504246695 0.406686605654} H4 6208 -1 1 {} H 0.0 {0.593819152107 0.668254528553 0.40599240815} H5 6209 -1 1 {} H 0.0 {0.593827978007 0.681965342151 0.395598968989} H6 6210 -1 1 {} H 0.0 {0.633925638706 0.67295423664 0.403646864762} H7 6211 -1 1 {} H 0.0 {0.62141313629 0.668146242681 0.392943449804} H8 6212 -1 1 {} H 0.0 {0.643344518787 0.689306860689 0.413650233147} H10 6213 -1 1 {} H 0.0 {0.634584329961 0.702424199091 0.454394622974} H13 6214 -1 1 {} H 0.0 {0.641688994511 0.686899990731 0.452654950131} H14 6215 -1 1 {} H 0.0 {0.595050478435 0.592031020446 0.448774922998} H15 6216 -1 1 {} H 0.0 {0.569718708035 0.60865068668 0.461437929354} H16 6217 -1 1 {} H 0.0 {0.574210704904 0.624790748846 0.467316693334} H17 6218 -1 1 {} H 0.0 {0.581461876184 0.610361291916 0.474698570553} H18 6219 -1 1 {} H 0.0 {0.615640660315 0.613714763734 0.455446873018} H19 6220 -1 1 {} H 0.0 {0.634839723928 0.663652186362 0.417368586434} H20 6221 -1 1 {} H 0.0 {0.620886725581 0.654576941837 0.413078356412} H21 6222 -1 1 {} H 0.0 {0.625151362601 0.656528882519 0.455357246429} H22 6223 -1 1 {} H 0.0 {0.71421414074 0.610351960136 0.477009574872} H7 6224 -1 1 {} H 0.0 {0.706499342256 0.623853617864 0.484265823895} H8 6225 -1 7 {} N 0.0 {0.533155472482 0.588716354239 0.720756067752} N8 6226 -1 1 {} H 0.0 {0.519285203051 0.586588020836 0.723504104827} H18 6227 -1 1 {} H 0.0 {0.542387464307 0.590999457161 0.715791056465} H21 6228 -1 14 {} Si 0.0 {0.416099812177 0.628396836373 0.321624755684} Si1 6229 -1 8 {} O 0.0 {0.423610859617 0.642112250432 0.311720452672} O1 6230 -1 14 {} Si 0.0 {0.426495191635 0.657031791618 0.322255984621} Si2 6231 -1 8 {} O 0.0 {0.416705053276 0.671247075075 0.315839768129} O2 6232 -1 8 {} O 0.0 {0.398798231487 0.625723633857 0.316069359142} O3 6233 -1 6 {} C 0.0 {0.416122900976 0.632730201372 0.33989189962} C1 6234 -1 8 {} O 0.0 {0.425744227041 0.612904508253 0.319060290079} O4 6235 -1 1 {} H 0.0 {0.44036680149 0.660404035483 0.321859829767} H1 6236 -1 1 {} H 0.0 {0.422670966347 0.65430529446 0.335712831715} H2 6237 -1 1 {} H 0.0 {0.395728359493 0.633879563301 0.310227655056} H15 6238 -1 1 {} H 0.0 {0.407621421768 0.627940791424 0.344706816327} H16 6239 -1 1 {} H 0.0 {0.415342793642 0.643465682249 0.341101624386} H17 6240 -1 1 {} H 0.0 {0.4253823878 0.62919863597 0.344470194465} H18 6241 -1 1 {} H 0.0 {0.424677386142 0.606687261828 0.327476700111} H19 6242 -1 1 {} H 0.0 {0.448511931131 0.669709701697 0.304712436455} H22 6243 -1 14 {} Si 0.0 {0.343502695697 0.464047196539 0.313033190188} Si1 6244 -1 8 {} O 0.0 {0.313324475498 0.472913265726 0.318089381619} O2 6245 -1 14 {} Si 0.0 {0.289425990287 0.500970639517 0.341626410071} Si4 6246 -1 7 {} N 0.0 {0.300680649074 0.508942775039 0.354115809447} N4 6247 -1 8 {} O 0.0 {0.334956384487 0.473383386172 0.32626697873} O3 6248 -1 6 {} C 0.0 {0.350595400319 0.476059972789 0.30045785192} C1 6249 -1 8 {} O 0.0 {0.357526531437 0.454523998589 0.320884248813} O4 6250 -1 1 {} H 0.0 {0.2945077115 0.513804783042 0.361301745009} H7 6251 -1 1 {} H 0.0 {0.3060515743 0.516698222644 0.34893567752} H8 6252 -1 1 {} H 0.0 {0.339542164802 0.482695208541 0.327327127581} H15 6253 -1 1 {} H 0.0 {0.343451857494 0.484076239143 0.298656371291} H16 6254 -1 1 {} H 0.0 {0.352565316544 0.47077820191 0.291117003129} H17 6255 -1 1 {} H 0.0 {0.359889383347 0.480258912035 0.30428044045} H18 6256 -1 1 {} H 0.0 {0.354804498275 0.444360375008 0.322512797642} H19 6257 -1 14 {} Si 0.0 {0.514387868356 0.72572886475 0.608364554442} Si2 6258 -1 8 {} O 0.0 {0.502158714975 0.718791874265 0.621555055588} O2 6259 -1 7 {} N 0.0 {0.482759371132 0.699412009982 0.638346797508} N2 6260 -1 1 {} H 0.0 {0.512707113587 0.718897012591 0.595832305271} H1 6261 -1 1 {} H 0.0 {0.475864876735 0.691809853045 0.641513051967} H3 6262 -1 1 {} H 0.0 {0.492197724731 0.694475775751 0.636918818307} H4 6263 -1 1 {} H 0.0 {0.559585099221 0.71898382137 0.60476729056} H17 6264 -1 14 {} Si 0.0 {0.64061227834 0.498415113572 0.674146495387} Si2 6265 -1 8 {} O 0.0 {0.63401881098 0.484564282471 0.664157476088} O2 6266 -1 14 {} Si 0.0 {0.634492218685 0.488971141454 0.646209912945} Si3 6267 -1 7 {} N 0.0 {0.63741120432 0.507237939153 0.643957093282} N1 6268 -1 14 {} Si 0.0 {0.621274584543 0.514398127136 0.638121269486} Si4 6269 -1 14 {} Si 0.0 {0.64954214715 0.509072405177 0.629900906441} Si5 6270 -1 7 {} N 0.0 {0.621207070054 0.532807601653 0.640652352403} N2 6271 -1 7 {} N 0.0 {0.607372362447 0.506728847549 0.647768047816} N3 6272 -1 7 {} N 0.0 {0.619069625671 0.510658481125 0.620047800884} N4 6273 -1 7 {} N 0.0 {0.665800188479 0.501409415949 0.634646197785} N5 6274 -1 7 {} N 0.0 {0.642821330529 0.500466711173 0.614855852839} N6 6275 -1 7 {} N 0.0 {0.652088827464 0.527096991611 0.626055586237} N7 6276 -1 7 {} N 0.0 {0.61825063941 0.484464090673 0.638477117653} N8 6277 -1 8 {} O 0.0 {0.647978726695 0.479662886588 0.637922426744} O5 6278 -1 1 {} H 0.0 {0.645509259858 0.508547256875 0.665256209215} H1 6279 -1 1 {} H 0.0 {0.630158529096 0.503882203153 0.682226842681} H2 6280 -1 1 {} H 0.0 {0.611117216868 0.536097924825 0.639550076328} H3 6281 -1 1 {} H 0.0 {0.626718231139 0.537071266811 0.632460509059} H4 6282 -1 1 {} H 0.0 {0.61177252378 0.500335820338 0.655083021095} H5 6283 -1 1 {} H 0.0 {0.602041632775 0.500346967 0.640943016817} H6 6284 -1 1 {} H 0.0 {0.625344416336 0.517370492263 0.614647435811} H7 6285 -1 1 {} H 0.0 {0.608936023199 0.513279022897 0.61757163157} H8 6286 -1 1 {} H 0.0 {0.673414864495 0.506573719162 0.629261409421} H9 6287 -1 1 {} H 0.0 {0.665677507476 0.491337733962 0.630865438832} H10 6288 -1 1 {} H 0.0 {0.636744003965 0.49241258631 0.61828150218} H11 6289 -1 1 {} H 0.0 {0.651229898221 0.496032187716 0.609821324407} H12 6290 -1 1 {} H 0.0 {0.649696948923 0.528493800505 0.615754457777} H13 6291 -1 1 {} H 0.0 {0.662641747559 0.528995131848 0.627021518547} H14 6292 -1 1 {} H 0.0 {0.615364530663 0.492614582122 0.632254692382} H20 6293 -1 1 {} H 0.0 {0.61106550992 0.484026651116 0.646477136184} H21 6294 -1 1 {} H 0.0 {0.646000116726 0.479078299954 0.627638961671} H22 6295 -1 7 {} N 0.0 {0.531251402639 0.268291007741 0.441894811165} N2 6296 -1 7 {} N 0.0 {0.537586753769 0.266572849515 0.473239215023} N3 6297 -1 6 {} C 0.0 {0.534853445559 0.279732619124 0.465749560966} C1 6298 -1 8 {} O 0.0 {0.564111767643 0.273893572817 0.471061348611} O4 6299 -1 1 {} H 0.0 {0.540472364526 0.272799470966 0.438941539994} H3 6300 -1 1 {} H 0.0 {0.524763837487 0.276365025441 0.44486103835} H4 6301 -1 1 {} H 0.0 {0.528645513271 0.26668911244 0.479234567903} H6 6302 -1 1 {} H 0.0 {0.525351821396 0.274788531443 0.463690043427} H16 6303 -1 1 {} H 0.0 {0.535764543479 0.288597666649 0.45948139968} H17 6304 -1 1 {} H 0.0 {0.535239188333 0.282667042951 0.476248157159} H18 6305 -1 1 {} H 0.0 {0.56108966622 0.278713839571 0.479887993681} H19 6306 -1 14 {} Si 0.0 {0.663158077017 0.351471584121 0.411603406666} Si1 6307 -1 6 {} C 0.0 {0.645295864846 0.357403420615 0.411112579738} C1 6308 -1 8 {} O 0.0 {0.669097393098 0.351201313945 0.428975930621} O4 6309 -1 1 {} H 0.0 {0.640196075616 0.35285992489 0.402613504066} H16 6310 -1 1 {} H 0.0 {0.64508336751 0.368249922192 0.410100368601} H17 6311 -1 1 {} H 0.0 {0.64024621032 0.354513577386 0.420338404905} H18 6312 -1 8 {} O 0.0 {0.314641334498 0.51922898322 0.65800870874} O2 6313 -1 14 {} Si 0.0 {0.307348838796 0.544201836962 0.638274895539} Si5 6314 -1 7 {} N 0.0 {0.280893484355 0.532780093347 0.623910618915} N3 6315 -1 7 {} N 0.0 {0.300180658934 0.554564216771 0.6246065582} N5 6316 -1 7 {} N 0.0 {0.320638952651 0.553812581661 0.647029580968} N6 6317 -1 7 {} N 0.0 {0.314590341563 0.528649829058 0.631127166312} N7 6318 -1 1 {} H 0.0 {0.331405051256 0.514197258852 0.678329981449} H2 6319 -1 1 {} H 0.0 {0.290391723795 0.536235510428 0.620581288828} H5 6320 -1 1 {} H 0.0 {0.30244419682 0.549682005019 0.615418344542} H9 6321 -1 1 {} H 0.0 {0.305629917998 0.563836421203 0.624578337299} H10 6322 -1 1 {} H 0.0 {0.316400570229 0.563152407136 0.649918508562} H11 6323 -1 1 {} H 0.0 {0.328188712967 0.556020372637 0.639681932643} H12 6324 -1 1 {} H 0.0 {0.325106114102 0.529014981985 0.632771150459} H13 6325 -1 1 {} H 0.0 {0.313129690423 0.529179715827 0.620481659551} H14 6326 -1 1 {} H 0.0 {0.295885182265 0.512464498381 0.63351640121} H22 6327 -1 7 {} N 0.0 {0.287616416024 0.648011242793 0.477757310884} N1 6328 -1 14 {} Si 0.0 {0.293203182582 0.630417864346 0.476208339321} Si4 6329 -1 14 {} Si 0.0 {0.290000188646 0.653135381521 0.495711297942} Si5 6330 -1 7 {} N 0.0 {0.291476364204 0.624938994729 0.45846688548} N2 6331 -1 7 {} N 0.0 {0.282627627179 0.619594313891 0.486996966653} N3 6332 -1 7 {} N 0.0 {0.310951871774 0.629138657966 0.481504911671} N4 6333 -1 7 {} N 0.0 {0.307491489759 0.658970009222 0.498040537958} N5 6334 -1 7 {} N 0.0 {0.28688112417 0.63857563374 0.506818756711} N7 6335 -1 1 {} H 0.0 {0.282156196683 0.628637598078 0.454888467212} H3 6336 -1 1 {} H 0.0 {0.290678091907 0.614218861147 0.458599319893} H4 6337 -1 1 {} H 0.0 {0.2748778984 0.625722569232 0.490987653102} H5 6338 -1 1 {} H 0.0 {0.288747810969 0.616594468943 0.495303903889} H6 6339 -1 1 {} H 0.0 {0.316168058103 0.63728346418 0.477037102908} H7 6340 -1 1 {} H 0.0 {0.314850538912 0.620215917702 0.477043496531} H8 6341 -1 1 {} H 0.0 {0.309781577017 0.658039748718 0.508399755121} H9 6342 -1 1 {} H 0.0 {0.307536991114 0.669503487574 0.495827414786} H10 6343 -1 1 {} H 0.0 {0.284126969775 0.642427882175 0.516366184939} H13 6344 -1 1 {} H 0.0 {0.296349877528 0.633629807553 0.508132744371} H14 6345 -1 1 {} H 0.0 {0.269380661981 0.610054534689 0.45747348568} H15 6346 -1 7 {} N 0.0 {0.732322546565 0.478324284609 0.437754360207} N3 6347 -1 6 {} C 0.0 {0.258733587398 0.498759978976 0.431275575027} C1 6348 -1 8 {} O 0.0 {0.249409632097 0.526308879727 0.439977100949} O4 6349 -1 1 {} H 0.0 {0.248608741072 0.48952507113 0.457163215815} H2 6350 -1 1 {} H 0.0 {0.722954154609 0.473268880388 0.437129391957} H5 6351 -1 1 {} H 0.0 {0.73050969328 0.488496530505 0.434780039544} H6 6352 -1 1 {} H 0.0 {0.259802643013 0.495027662296 0.421111798009} H16 6353 -1 1 {} H 0.0 {0.257037423552 0.490392410085 0.438071819235} H17 6354 -1 1 {} H 0.0 {0.267761495445 0.503990579447 0.434179556976} H18 6355 -1 1 {} H 0.0 {0.259889887764 0.526819286158 0.440094638673} H19 6356 -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} {100 100 100 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{100 0 0} {0 100 0} {0 0 100}} {{0.01 0 0} {0 0.01 0} {0 0 0.01}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 3 2 0 0 4 2 0 0 5 2 0 0 7 1 0 0 8 1 0 0 10 3 0 0 11 3 0 0 12 4 0 0 13 4 0 0 14 5 0 0 15 5 0 0 16 6 0 0 17 6 0 0 19 7 0 0 20 8 0 0 21 8 0 0 22 8 0 0 27 26 0 0 28 26 0 0 33 32 0 0 34 33 0 0 35 34 0 0 36 35 0 0 37 36 0 0 38 37 0 0 39 37 0 0 40 38 0 0 41 38 0 0 42 38 0 0 43 39 0 0 44 39 0 0 45 39 0 0 46 32 0 0 47 32 0 0 48 32 0 0 49 36 0 0 50 36 0 0 51 34 0 0 52 34 0 0 53 40 0 0 54 40 0 0 55 41 0 0 56 41 0 0 57 42 0 0 58 42 0 0 59 43 0 0 60 43 0 0 61 44 0 0 62 44 0 0 63 45 0 0 64 45 0 0 65 46 0 0 66 47 0 0 67 47 0 0 68 47 0 0 69 48 0 0 70 49 0 0 71 49 0 0 72 50 0 0 74 73 0 0 75 74 0 0 76 75 0 0 77 76 0 0 78 77 0 0 79 78 0 0 80 78 0 0 81 79 0 0 82 79 0 0 83 79 0 0 84 80 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6314 {0 0 0} 0 5881 6320 6315 {0 0 0} 0 5882 6321 6315 {0 0 0} 0 5883 6322 6316 {0 0 0} 0 5884 6323 6316 {0 0 0} 0 5885 6324 6317 {0 0 0} 0 5886 6325 6317 {0 0 0} 0 5887 6328 6327 {0 0 0} 0 5888 6329 6327 {0 0 0} 0 5889 6330 6328 {0 0 0} 0 5890 6331 6328 {0 0 0} 0 5891 6332 6328 {0 0 0} 0 5892 6333 6329 {0 0 0} 0 5893 6334 6329 {0 0 0} 0 5894 6335 6330 {0 0 0} 0 5895 6336 6330 {0 0 0} 0 5896 6337 6331 {0 0 0} 0 5897 6338 6331 {0 0 0} 0 5898 6339 6332 {0 0 0} 0 5899 6340 6332 {0 0 0} 0 5900 6341 6333 {0 0 0} 0 5901 6342 6333 {0 0 0} 0 5902 6343 6334 {0 0 0} 0 5903 6344 6334 {0 0 0} 0 5904 6350 6346 {0 0 0} 0 5905 6351 6346 {0 0 0} 0 5906 6352 6347 {0 0 0} 0 5907 6353 6347 {0 0 0} 0 5908 6354 6347 {0 0 0} 0 5909 6355 6348 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end}} } Namespace { ::thread { } } Namespace { ::tsv { } } Namespace { ::tpool { } } Namespace { ::chemistry { } } Namespace { ::chemistry::PeriodicTable { scalar ::chemistry::PeriodicTable::gProperties {symbol {atomic radius} {covalent radius} {atomic number} {atomic mass} {discovery date} {electrical conductivity} {thermal conductivity} {specific heat} electronegativity {boiling point} {melting point} density {atomic volume} {lattice spacing a} structure {c/a, alpha, b/a} {coherent scattering length} {incoherent X-section} {absorption @1.8A} name state valency {ldf spin-polarization energy} {atomic heat of formation at 0 K} {Pettifor index} {alternate radius}} scalar ::chemistry::PeriodicTable::gSymbols {X H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn Fr Ra Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr Rf Db Sg Bh Hs Mt Ds Rg Cn Nh Fl Mc Lv Ts Og } scalar ::chemistry::PeriodicTable::gType {{} continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous continuous discrete {} continuous continuous continuous {} discrete discrete continuous continuous discrete continuous} scalar ::chemistry::PeriodicTable::gUnits {{} Ang Ang {} amu {} {10^6 / (cm * ohm)} {W /(cm * K)} {[J/g/K]} {} K\] K {} {} Ang {} {} {1.0E-12 cm} barn barn {} {} {} kJ/mol kJ/mol {} Ang} scalar ::chemistry::PeriodicTable::gNElements 118 scalar ::chemistry::PeriodicTable::gElementData {{X --- --- 0 0.0 ---- --- ---- --- --- --- --- --- --- --- --- --- --- --- --- Dummy --- --- --- --- 999 1.10} {H 0.79 0.32 1 1.00794 1766 --- 0.001815 14.304 2.20 20.268 14.025 0.0899 14.4 3.75 HEX --- -0.374 79.9 0.3326 Hydrogen gas 1 86.64 216.035 103 0.20} {He 0.49 0.93 2 4.002602 1895 --- 0.00152 5.193 --- 4.215 0.95 0.1787 0.0 3.57 HEX --- 0.326 0.0 0.00747 Helium gas 0 0.00 0 1 1.00} {Li 2.05 1.23 3 6.941 1817 0.108 0.847 3.6 0.98 1615 453.7 0.53 13.10 3.49 BCC --- -0.190 0.91 70.5 Lithium solid 1 23.00 157.735 12 0.90} {Be 1.40 0.90 4 9.012182 1798 0.313 2.00 1.82 1.57 2745 1560.0 1.85 5.0 2.29 HEX 1.567 0.779 0.005 0.0076 Beryllium solid 2 0.00 319.753 77 0.80} {B 1.17 0.82 5 10.811 1828 1.0e-12 0.270 1.02 2.04 4275 2300.0 2.34 4.6 8.73 TET 0.576 0.530 1.7 767.0 Boron solid 3 24.72 559.906 86 0.65} {C 0.91 0.77 6 12.011 ???? 0.00061 1.29 0.71 2.55 4470.0 4100.0 2.62 4.58 3.57 DIA --- 0.6648 0.001 0.0035 Carbon solid 4 116.26 711.194 95 0.70} {N 0.75 0.75 7 14.00674 1772 --- 0.0002598 1.04 3.04 77.35 63.14 1.251 17.3 4.039 HEX 1.051 0.936 0.49 1.90 Nitrogen gas 3 293.49 470.818 100 0.80} {O 0.65 0.73 8 15.9994 1774 --- 0.0002674 0.92 3.44 90.18 50.35 1.429 14.0 6.83 CUB --- 0.5805 0.000 0.00019 Oxygen gas 2 142.65 246.795 101 0.90} {F 0.57 0.72 9 18.9984032 1886 --- 0.000279 0.82 3.98 84.95 53.48 1.696 17.1 --- MCL --- 0.5654 0.0008 0.0096 Fluorine gas 1 38.19 77.2745 102 0.95} {Ne 0.51 0.71 10 20.1797 1898 --- 0.000493 0.904 --- 27.096 24.553 0.901 16.7 4.43 FCC --- 0.4547 0.008 0.039 Neon gas 0 0.00 0 2 1.40} {Na 2.23 1.54 11 22.989768 1807 0.139 1.41 1.23 0.93 1156 371.0 0.97 23.7 4.23 BCC --- 0.363 1.62 0.530 Sodium solid 1 19.86 107.763 11 1.10} {Mg 1.72 1.36 12 24.3050 1808 0.226 1.56 1.02 1.31 1363 922 1.74 13.97 3.21 HEX 1.624 0.5375 0.077 0.063 Magnesium solid 2 0.00 145.901 73 0.95} {Al 1.82 1.18 13 26.981539 1825 0.377 2.37 0.90 1.61 2793 933.25 2.70 10.0 4.05 FCC --- 0.3449 0.0085 0.231 Aluminum solid 3 14.66 327.621 80 0.85} {Si 1.46 1.11 14 28.0855 1823 2.52e-12 1.48 0.71 1.90 3540.0 1685 2.33 12.1 5.43 DIA --- 0.4149 0.015 0.171 Silicon solid 4 64.45 445.667 85 0.80} {P 1.23 1.06 15 30.97362 1669 1.0e-17 0.00235 0.77 2.19 550.0 317.30 1.82 17.0 7.17 CUB --- 0.513 0.006 0.172 Phosphorus solid 3 156.41 315.663 90 0.90} {S 1.09 1.02 16 32.066 ???? 0.5e-23 0.00269 0.71 2.58 717.75 388.36 2.07 15.5 10.47 ORC 2.339/1.229 0.2847 0.007 0.53 Sulfur solid 2 73.16 274.925 94 1.25} {Cl 0.97 0.99 17 35.4527 1774 --- 0.000089 0.48 3.16 239.1 172.16 3.17 22.7 6.24 ORC 1.324/0.718 0.95792 5.2 33.5 Chlorine gas 1 19.12 119.6195 99 1.35} {Ar 0.88 0.98 18 39.948 1894 --- 0.0001772 0.520 --- 87.30 83.81 1.784 28.5 5.26 FCC --- 0.1909 0.22 0.675 Argon gas 0 0.00 0 3 1.70} {K 2.77 2.03 19 39.0983 1807 0.139 1 0.75 0.82 1032 336.35 0.86 45.46 5.23 BCC --- 0.371 0.25 2.1 Potassium solid 1 14.29 89.891 10 1.50} {Ca 2.23 1.91 20 40.078 1808 0.298 2.00 0.63 1.00 1757 1112 1.55 29.9 5.58 FCC --- 0.490 0.03 0.43 Calcium solid 2 0.00 177.339 16 1.30} {Sc 2.09 1.62 21 44.955910 1879 0.0177 0.158 0.6 1 3104 1812 3.0 15.0 3.31 HEX 1.594 1.229 4.5 27.2 Scandium solid 3 15.68 376.22 19 1.05} {Ti 2.00 1.45 22 47.88 1791 0.0234 0.219 0.52 1.54 3562 1943 4.50 10.64 2.95 HEX 1.588 -0.330 2.67 6.09 Titanium solid 4 68.91 470.285 51 1.00} {V 1.92 1.34 23 50.9415 1830 0.0489 0.307 0.49 1.63 3682 2175 5.8 8.78 3.02 BCC --- -0.0382 5.187 5.08 Vanadium solid 5 166.19 514.84 54 0.98} {Cr 1.85 1.18 24 51.9961 1797 0.0774 0.937 0.45 1.66 2945 2130.0 7.19 7.23 2.88 BCC --- 0.3635 1.83 3.07 Chromium solid 3 493.88 394.86 57 0.97} {Mn 1.79 1.17 25 54.93085 1774 0.00695 0.0782 0.48 1.55 2335 1517 7.43 1.39 8.89 FCC --- -0.373 0.40 13.3 Manganese solid 2 511.24 279.8 60 0.96} {Fe 1.72 1.17 26 55.847 ???? 0.0993 0.802 0.44 1.83 3135 1809 7.86 7.1 2.87 BCC --- 0.954 0.39 2.56 Iron solid 2 341.93 411.405 61 0.95} {Co 1.67 1.16 27 58.93320 1737 0.172 1.00 0.42 1.88 3201 1768 8.90 6.7 2.51 HEX 1.622 0.250 4.8 37.18 Cobalt solid 2 199.63 423.41 64 0.94} {Ni 1.62 1.15 28 58.69 1751 0.143 0.907 0.44 1.91 3187 1726 8.90 6.59 3.52 FCC --- 1.03 5.2 4.49 Nickel solid 2 91.65 427.97 67 0.93} {Cu 1.57 1.17 29 63.546 ???? 0.596 4.01 0.38 1.90 2836 1357.6 8.96 7.1 3.61 FCC --- 0.7718 0.52 3.78 Copper solid 2 19.68 336.207 72 0.95} {Zn 1.53 1.25 30 65.39 1746 0.166 1.16 0.39 1.65 1180.0 692.73 7.14 9.2 2.66 HEX 1.856 0.5680 0.077 1.11 Zinc solid 2 0.00 129.86 76 1.00} {Ga 1.81 1.26 31 69.723 1875 0.0678 0.406 0.37 1.81 2478 302.90 5.91 11.8 4.51 ORC 1.695/1.001 0.7288 0.0 2.9 Gallium solid 3 14.36 276.02 81 0.90} {Ge 1.52 1.22 32 72.61 1886 1 0.599 0.32 2.01 3107 1210.4 5.32 13.6 5.66 DIA --- 0.81929 0.17 2.3 Germanium solid 4 59.15 369.238 84 0.85} {As 1.33 1.20 33 74.92159 ???? 0.0345 0.500 0.33 2.18 876 1081 5.72 13.1 4.13 RHL 54\"10' 0.658 0.060 4.5 Arsenic solid 3 136.99 301.93 89 1.00} {Se 1.22 1.16 34 78.96 1817 1.0e-12 0.0204 0.32 2.55 958 494 4.80 16.45 4.36 HEX 1.136 0.797 0.33 11.7 Selenium solid 2 61.67 226.421 93 1.30} {Br 1.12 1.14 35 79.904 1826 --- 0.00122 0.473 2.96 332.25 265.90 3.12 23.5 6.67 ORC 1.307/0.672 0.679 0.10 6.9 Bromine liquid 1 15.62 117.933 98 1.40} {Kr 1.03 1.12 36 83.80 1898 --- 0.0000949 0.248 --- 119.80 115.78 3.74 38.9 5.72 FCC --- 0.780 0.03 25. Krypton gas 0 0.00 0 4 1.90} {Rb 2.98 2.16 37 85.4678 1861 0.0779 0.582 0.363 0.82 961 312.64 1.53 55.9 5.59 BCC --- 0.708 0.3 0.38 Rubidium solid 1 12.78 82.192 9 1.80} {Sr 2.45 1.91 38 87.62 1790 0.0762 0.353 0.30 0.95 1650.0 1041 2.6 33.7 6.08 FCC --- 0.702 0.04 1.28 Strontium solid 2 0.00 164 15 1.60} {Y 2.27 1.62 39 88.90585 1794 0.0166 0.172 0.30 1.22 3611 1799 4.5 19.8 3.65 HEX 1.571 0.775 0.15 1.28 Yttrium solid 3 11.91 420.11 25 1.30} {Zr 2.16 1.45 40 91.224 1789 0.0236 0.227 0.27 1.33 4682 2125 6.49 14.1 3.23 HEX 1.593 0.716 0.16 0.185 Zirconium solid 4 51.13 607.71 49 1.15} {Nb 2.09 1.34 41 92.90638 1801 0.0693 0.537 0.26 1.6 5017 2740.0 8.55 10.87 3.30 BCC --- 0.7054 0.0024 1.15 Niobium solid 5 261.09 722.89 53 1.12} {Mo 2.01 1.30 42 95.94 1778 0.187 1.38 0.25 2.16 4912 2890.0 10.2 9.4 3.15 BCC --- 0.695 0.28 2.55 Molybdenum solid 6 392.14 656.393 56 1.11} {Tc 1.95 1.27 43 98.91 1937 0.067 0.506 0.21 1.9 4538 2473 11.5 8.5 2.74 HEX 1.604 0.68 0.0 20.0 Technetium solid ? 359.05 678 59 1.10} {Ru 1.89 1.25 44 101.07 1844 0.137 1.17 0.238 2.2 4423 2523 12.2 8.3 2.70 HEX 1.584 0.721 0.07 2.56 Ruthenium solid 3 166.40 641.37 62 1.09} {Rh 1.83 1.25 45 102.90550 1803 0.211 1.50 0.242 2.28 3970.0 2236 12.4 8.3 3.90 FCC --- 0.588 0.0 145.0 Rhodium solid 3 88.99 555.71 65 1.08} {Pd 1.79 1.28 46 106.42 1803 0.0950 0.718 0.24 2.20 3237 1825 12.0 8.9 3.89 FCC --- 0.591 0.093 6.9 Palladium solid 2 0.00 377.24 69 1.07} {Ag 1.75 1.34 47 107.8682 ???? 0.630 4.29 0.235 1.93 2436 1234 10.5 10.3 4.09 FCC --- 0.5922 0.58 63.3 Silver solid 1 16.11 284.45 71 1.10} {Cd 1.71 1.48 48 112.411 1817 0.138 0.968 0.23 1.69 1040.0 594.18 8.65 13.1 2.98 HEX 1.886 0.51 2.4 2520.0 Cadmium solid 2 0.00 111.85 75 1.20} {In 2.00 1.44 49 114.82 1863 0.116 0.816 0.23 1.78 2346 429.76 7.31 15.7 4.59 TET 1.076 0.4065 0.54 193.8 Indium solid 3 12.46 243.7 79 1.05} {Sn 1.72 1.41 50 118.710 ???? 0.0917 0.666 0.227 1.96 2876 505.06 7.30 16.3 5.82 TET 0.546 0.6228 0.022 0.626 Tin solid 4 49.86 301.308 83 1.00} {Sb 1.53 1.40 51 121.75 ???? 0.0288 0.243 0.21 2.05 1860.0 904 6.68 18.23 4.51 RHL 58\"6' 0.5641 0.3 5.1 Antimony solid 3 113.05 262.7 88 1.30} {Te 1.42 1.36 52 127.60 1782 2.0e-6 0.0235 0.20 2.1 1261 722.65 6.24 20.5 4.45 HEX 1.33 0.543 0.02 4.7 Tellurium solid 2 50.05 196.62 92 1.70} {I 1.32 1.33 53 126.90447 1804 8.0e-16 0.00449 0.214 2.66 458.4 386.7 4.92 25.74 7.27 ORC 1.347/0.659 0.528 0.0 6.2 Iodine solid 1 12.51 113.759 97 1.80} {Xe 1.24 1.31 54 131.29 1898 --- 0.0000569 0.158 --- 165.03 161.36 5.89 37.3 6.20 FCC --- 0.485 0.0 23.9 Xenon gas 0 0.00 0 5 2.10} {Cs 3.34 2.35 55 132.90543 1860 0.0489 0.359 0.24 0.79 944 301.55 1.87 71.07 6.05 BCC --- 0.542 0.21 29.0 Cesium solid 1 10.91 78.014 8 1.80} {Ba 2.78 1.98 56 137.327 1808 0.030 0.184 0.204 0.89 2171 1002 3.5 39.24 5.02 BCC --- 0.525 0.01 1.2 Barium solid 2 0.00 181.7 14 1.60} {La 2.74 1.69 57 138.9055 1839 0.0126 0.135 0.19 1.10 3730.0 1193 6.7 20.73 3.75 HEX 1.619 0.824 1.13 8.97 Lanthanum solid 3 10.68 431.36 33 1.30} {Ce 2.70 1.65 58 140.115 1803 0.0115 0.114 0.19 1.12 3699 1071 6.78 20.67 5.16 FCC --- 0.484 0.0 0.63 Cerium solid 3 33.37 424.33 32 1.20} {Pr 2.67 1.65 59 140.90765 1885 0.0148 0.125 0.19 1.13 3785 1204 6.77 20.8 3.67 HEX 1.614 0.445 0.016 11.5 Praseodymium solid 3 134.97 357.08 31 1.19} {Nd 2.64 1.64 60 144.24 1925 0.0157 0.165 0.19 1.14 3341 1289 7.00 20.6 3.66 HEX 1.614 0.769 11. 50.5 Neodymium solid 3 248.46 328.93 30 1.18} {Pm 2.62 1.63 61 146.9151 1945 --- 0.179 0.18 1.13 3785 1204 6.475 22.39 --- --- --- 1.26 1.3 168.4 Promethium solid 3 399.56 --- 29 1.17} {Sm 2.59 1.62 62 150.36 1879 0.00956 0.133 0.20 1.17 2064 1345 7.54 19.95 9.00 RHL 23\"13' 0.42 50. 5670. Samarium solid 3 589.70 206.43 28 1.16} {Eu 2.56 1.85 63 151.965 1901 0.0112 0.139 0.18 1.2 1870.0 1090.0 5.26 28.9 4.61 BCC --- 0.668 2.2 4600. Europium solid 3 820.13 176.8 18 1.15} {Gd 2.54 1.61 64 157.25 1880 0.00736 0.106 0.23 1.20 3539 1585 7.89 19.9 3.64 HEX 1.588 0.95 158.0 48890. Gadolinium solid 3 949.67 398.47 27 1.14} {Tb 2.51 1.59 65 158.92534 1843 0.00889 0.111 0.18 1.2 3496 1630.0 8.27 19.2 3.60 HEX 1.581 0.738 0.004 23.4 Terbium solid 3 436.00 390.91 26 1.13} {Dy 2.49 1.59 66 162.50 1886 0.0108 0.107 0.17 1.22 2835 1682 8.54 19.0 3.59 HEX 1.573 1.69 54.5 940. Dysprosium solid 3 283.86 291.8 24 1.12} {Ho 2.47 1.58 67 164.93032 1878 0.0124 0.162 0.16 1.23 2968 1743 8.80 18.7 3.58 HEX 1.570 0.808 0.36 64.7 Holmium solid 3 162.17 302.8 23 1.11} {Er 2.45 1.57 68 167.26 1843 0.0117 0.143 0.17 1.24 3136 1795 9.05 18.4 3.56 HEX 1.570 0.803 1.2 159.2 Erbium solid 3 73.11 318.18 22 1.10} {Tm 2.42 1.56 69 168.93421 1879 0.0150 0.168 0.16 1.25 2220.0 1818 9.33 18.1 3.54 HEX 1.570 0.705 0.41 105. Thulium solid 3 18.52 233.19 21 1.09} {Yb 2.40 1.74 70 173.04 1878 0.0351 0.349 0.15 1.1 1467 1097 6.98 24.79 5.49 FCC --- 1.24 3.0 35.1 Ytterbium solid 3 0.00 152.51 17 1.08} {Lu 2.25 1.56 71 174.967 1907 0.0185 0.164 0.15 1.27 3668 1936 9.84 17.78 3.51 HEX 1.585 0.73 0.1 76.4 Lutetium solid 3 11.53 428.18 20 1.07} {Hf 2.16 1.44 72 178.49 1923 0.0312 0.230 0.14 1.3 4876 2500.0 13.1 13.6 3.20 HEX 1.582 0.777 2.6 104.1 Hafnium solid 4 48.55 618.65 50 1.15} {Ta 2.09 1.34 73 180.9479 1802 0.0761 0.575 0.14 1.5 5731 3287 16.6 10.90 3.31 BCC --- 0.691 0.02 20.6 Tantalum solid 5 112.72 781.44 52 1.12} {W 2.02 1.30 74 183.85 1783 0.189 1.74 0.13 2.36 5828 3680.0 19.3 9.53 3.16 BCC --- 0.477 2.00 18.4 Tungsten solid 6 204.93 847.76 55 1.11} {Re 1.97 1.28 75 186.207 1925 0.0542 0.479 0.13 1.9 5869 3453 21.0 8.85 2.76 HEX 1.615 0.92 0.9 90.7 Rhenium solid 5 325.85 769.22 58 1.10} {Os 1.92 1.26 76 190.2 1804 0.109 0.876 0.13 2.2 5285 3300.0 22.4 8.49 2.74 HEX 1.579 1.10 0.4 16.0 Osmium solid 4 210.26 791 63 1.09} {Ir 1.87 1.27 77 192.22 1804 0.197 1.47 0.130 2.20 4701 2716 22.5 8.54 3.84 FCC --- 1.06 0.2 425.3 Iridium solid 4 119.17 664.07 66 1.08} {Pt 1.83 1.30 78 195.08 1735 0.0966 0.716 0.13 2.28 4100.0 2045 21.4 9.10 3.92 FCC --- 0.963 0.13 10.3 Platinum solid 4 36.06 564.16 68 1.07} {Au 1.79 1.34 79 196.96654 ???? 0.452 3.17 0.128 2.54 3130.0 1337.58 19.3 10.2 4.08 FCC --- 0.763 0.36 98.65 Gold solid 3 14.78 365.81 70 1.10} {Hg 1.76 1.49 80 200.59 ???? 0.0104 0.0834 0.139 2.00 630.0 234.28 13.53 14.82 2.99 RHL 70\"45' 1.266 6.7 372.3 Mercury liquid 2 0.00 64.525 74 1.20} {Tl 2.08 1.48 81 204.3833 1861 0.0617 0.461 0.13 2.04 1746 577 11.85 17.2 3.46 HEX 1.599 0.8785 0.14 3.43 Thallium solid 3 11.75 182.83 78 1.20} {Pb 1.81 1.47 82 207.2 ???? 0.0481 0.353 0.13 2.33 2023 600.6 11.4 18.17 4.95 FCC --- 0.94003 0.003 0.171 Lead solid 4 46.28 195.873 82 1.10} {Bi 1.63 1.46 83 208.98037 ???? 0.00867 0.0787 0.12 2.02 1837 544.52 9.8 21.3 4.75 RHL 58\"14' 0.85256 0.0072 0.0338 Bismuth solid 3 103.69 207.23 87 1.30} {Po 1.53 1.46 84 209.98 1898 0.0219 0.20 0.12 2.0 1235 527 9.4 22.23 3.35 SC --- --- --- --- Polonium solid 2 45.46 --- 91 1.90} {At 1.43 1.45 85 209.9871 1940 --- 0.017 --- 2.2 610.0 575 --- --- --- --- --- --- --- --- Astatine solid 1 11.27 --- 96 2.00} {Rn 1.34 1.43 86 (222) 1898 --- 0.0000364 0.09 --- 211 202 9.91 50.5 --- --- --- --- --- --- Radon gas 0 0.00 0 6 2.20} {Fr 3.50 2.50 87 223.0197 1939 0.03 0.15 --- 0.7 950.0 300.0 --- --- --- --- --- 0.8495 0.0072 0.036 Francium solid 1 10.15 --- 7 2.00} {Ra 3.00 2.40 88 226.025 1898 --- 0.186 0.12 0.9 1809 973 5 45.20 --- --- --- 1.0 0.0 12.8 Radium solid 2 0.00 159 13 1.50} {Ac 3.20 2.20 89 227.028 1899 --- 0.12 --- 1.1 3473 1323 10.07 22.54 5.31 FCC --- --- --- --- Actinium solid 3 9.74 406 48 1.30} {Th 3.16 1.65 90 232.0381 1828 0.0653 0.540 0.12 1.3 5061 2028 11.7 19.9 5.08 FCC --- 0.984 0.0 7.37 Thorium solid 3 39.72 602 47 1.20} {Pa 3.14 1.535 91 231.03588 1917 0.0529 0.47 0.12 1.5 --- --- 15.4 15.0 3.92 TET 0.825 0.91 0.0 200.6 Protactinium solid 3 75.76 607 46 1.10} {U 3.11 1.42 92 238.0289 1789 0.0380 0.276 0.12 1.38 4407 1405 18.90 12.59 2.85 ORC 2.056/1.736 0.8417 0.004 7.57 Uranium solid 3 148.67 533 45 1.10} {Np 3.08 1.42 93 237.048 1940 0.00822 0.063 0.12 1.36 --- 910.0 20.4 11.62 4.72 ORC 1.411/1.035 1.055 0.0 175.9 Neptunium solid 3 {} --- 44 1.10} {Pu 3.05 1.42 94 244.0642 1940 0.00666 0.0674 0.13 1.28 3503 913 19.8 12.32 --- MCL --- 1.41 0.0 558. Plutonium solid 3 {} --- 43 1.10} {Am 3.02 --- 95 243.061375 1945 0.022 0.1 0.11 1.3 2880.0 1268 13.6 17.86 --- --- --- 0.83 0.0 75.3 Americium solid 3 {} --- 42 1.10} {Cm 2.99 --- 96 247.0703 1944 --- 0.1 --- 1.3 --- 1340.0 13.511 18.28 --- --- --- 0.7 0.0 0.0 Curium solid 3 {} --- 41 1.10} {Bk 2.97 --- 97 (247) 1949 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Berkelium solid 3 {} --- 40 1.10} {Cf 2.95 --- 98 (251) 1950 --- 0.1 --- 1.3 --- 900.0 --- --- --- --- --- --- --- --- Californium solid 3 {} --- 39 1.10} {Es 2.92 --- 99 (252) 1952 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Einsteinium solid 3 {} --- 38 1.10} {Fm 2.90 --- 100 257.0951 1953 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Fermium solid 3 {} --- 37 1.10} {Md 2.87 --- 101 (258) 1955 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Mendelevium solid 3 {} --- 36 1.10} {No 2.85 --- 102 (259) 1957 --- 0.1 --- 1.3 --- --- --- --- --- --- --- --- --- --- Nobelium solid 3 {} --- 35 1.10} {Lr 2.82 --- 103 (266) 1961 --- 0.1 --- --- --- --- --- --- --- --- --- --- --- --- Lawrencium solid 3 {} --- 34 1.10} {Rf --- --- 104 261.1087 1964 --- 0.23 --- --- --- --- --- --- --- --- --- --- --- --- Rutherfordium solid ? {} --- 104 1.10} {Db --- --- 105 262.1138 1970 --- 0.58 --- --- --- --- --- --- --- --- --- --- --- --- Dubnium solid ? {} --- 105 1.10} {Sg --- --- 106 263.1182 1974 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Seaborgium solid ? {} --- 106 1.10} {Bh --- --- 107 262.1229 1976 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Bohrium solid ? {} --- 107 1.10} {Hs --- --- 108 (270) 1984 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Hassium solid ? {} --- 108 1.10} {Mt --- --- 109 (268) 1982 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Meitnerium solid ? {} --- 109 1.10} {Ds --- --- 110 (281) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Darmstadtium solid ? {} --- {} 1.10} {Rg --- --- 111 (280) 1994 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Roentgenium solid ? {} {} {} {}} {Cn --- --- 112 (277) 1996 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Copernicium solid ? {} {} {} {}} {Nh --- --- 113 (287) 2003 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Nihonium solid ? {} {} {} {}} {Fl --- --- 114 (289) 1999 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Flerovium solid ? {} {} {} {}} {Mc --- --- 115 (289) 2004 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Moscovium solid ? {} {} {} {}} {Lv --- --- 116 (293) 2000 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Livermorium solid ? {} {} {} {}} {Ts --- --- 117 (294) 2010 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Tennessine solid ? {} {} {} {}} {Og --- --- 118 (294) 2006 --- --- --- --- --- --- --- --- --- --- --- --- --- --- Oganesson solid ? {} {} {} {}}} } } }