job.id 435 job.name {3D WY-9 cubic init velocity-NVT 0.2.fs, 500} job.description { } job.status finished job.submitted {2024-12-31 23:44:10} job.started {2024-12-31 23:44:10} job.finished {2025-01-01 01:34:39} job.queue 1 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 $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c out}} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 Options {-zerorotation 0 -autorandom 0 -randomseed 72489 -temperature {$T} -zerotranslation 1 -ff ::fF0 -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 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 {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1 out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb Options {-finaltemperature {$T} -trajectorysampling {0 frames} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {100 ps} -temperaturecontrol Nose-Hoover -dpd_seed 1234567 -initialtemperature {$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 {} } } } Connections { md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298,md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7 1 md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1,md-lammps-stage-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298 1 md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7,md-lammps-stage-695d1b89-8739-4ed6-ac80-e3f60925c7cb 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-c56e0f85-db94-4ab0-90e5-04ec40dc6ef1} } md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 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-d5419fa4-dc2d-4ae2-b7d2-46d5afc77298} } md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 Options {-height 120 -selected 0 -description {Temp: $T Time: 100 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-695d1b89-8739-4ed6-ac80-e3f60925c7cb} } md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 Options {-height 120 -selected 0 -description {Initial velocities for $T No net translation Random seed: 72489} -fill LightBlue -x 110 -width 160 -y 234 -title velocities -stage md-lammps-stage-6d655a8a-46eb-4581-b804-90754a4fcda7} } } Connections { md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48,md-flowchart-rectangle-851c8dff-fe47-4a8f-8a13-871dbb7171a3 66 md-flowchart-circle1-60556790-504c-4dc0-82b5-7ce708451b34,md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5 70 md-flowchart-oval-a7afb3ce-4403-4657-802d-67cccb938de5,md-flowchart-rectangle-1a7521ca-fbcc-401c-a534-7f0f69adac48 76 } } } } md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2 Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c,md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14 1 md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2,md-stage-variables-39f92d30-7571-49da-b5df-e1c665e1fc8c 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-731d4e9a-b557-47e9-b8c7-dbf6458b53f2} } md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe 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-39f92d30-7571-49da-b5df-e1c665e1fc8c} } md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 112 -width 160 -y 245 -title LAMMPS -stage md-lammps-stage-2e0d3f20-d5b4-4d2c-b375-a5961c24bb14} } } Connections { md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe,md-flowchart-rectangle-16534dfe-dac8-4b1e-9a37-0df3e21552ed 56 md-flowchart-circle1-7bfcbc62-f151-4f41-b41f-7a4d7e82f785,md-flowchart-oval-8954ba79-e7fa-4d45-a1d9-d44b3384babe 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) @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 14 {} Si 0.0 {0.492417534072 0.720105457725 0.502955482683} Si1 1 -1 8 {} O 0.0 {0.503412894985 0.707507889305 0.495174663835} O1 2 -1 14 {} Si 0.0 {0.494226448835 0.698210586707 0.482134178422} Si2 3 -1 8 {} O 0.0 {0.488112116129 0.709803994995 0.469349208489} O2 4 -1 14 {} Si 0.0 {0.472078048867 0.703565504397 0.462836592634} Si3 5 -1 7 {} N 0.0 {0.464779856964 0.69129074091 0.474788453229} N1 6 -1 14 {} Si 0.0 {0.456538298568 0.677994976402 0.4646115786} Si4 7 -1 14 {} Si 0.0 {0.451501403333 0.700131111005 0.484406535213} Si5 8 -1 7 {} N 0.0 {0.449410049564 0.685497202034 0.449151463766} N2 9 -1 7 {} N 0.0 {0.442918207965 0.670030831647 0.474453148692} N3 10 -1 7 {} N 0.0 {0.469135236594 0.66512857931 0.459958649635} N4 11 -1 7 {} N 0.0 {0.45267810565 0.69544911613 0.502357444814} N5 12 -1 7 {} N 0.0 {0.453813299706 0.718487049174 0.482638459952} N6 13 -1 7 {} N 0.0 {0.434790707852 0.69533196219 0.477892409409} N7 14 -1 8 {} O 0.0 {0.500847483971 0.267180322702 0.517635590621} O3 15 -1 6 {} C 0.0 {0.476302089196 0.712040532686 0.508368668342} C1 16 -1 8 {} O 0.0 {0.488821273112 0.273331637146 0.490826968426} O4 17 -1 7 {} N 0.0 {0.474854811577 0.695153553691 0.446515694436} N8 18 -1 8 {} O 0.0 {0.460525990985 0.717692416429 0.460632731698} O5 19 -1 1 {} H 0.0 {0.483071495985 0.691410007736 0.487974088461} H1 20 -1 1 {} H 0.0 {0.502985651913 0.688660599332 0.476080959942} H2 21 -1 1 {} H 0.0 {0.440153143061 0.680573056895 0.447227997906} H3 22 -1 1 {} H 0.0 {0.456024255991 0.682824765175 0.441092630716} H4 23 -1 1 {} H 0.0 {0.447441989113 0.665273796673 0.482838292393} H5 24 -1 1 {} H 0.0 {0.438859099188 0.662176940778 0.468297986893} H6 25 -1 1 {} H 0.0 {0.470518133568 0.665730237071 0.449409467922} H7 26 -1 1 {} H 0.0 {0.464637841368 0.655554279403 0.461915772513} H8 27 -1 1 {} H 0.0 {0.451505244997 0.704388769356 0.5080344467} H9 28 -1 1 {} H 0.0 {0.462754091749 0.6920695805 0.504010537395} H10 29 -1 1 {} H 0.0 {0.464291314526 0.720291275358 0.481926071763} H11 30 -1 1 {} H 0.0 {0.450566615788 0.722910024174 0.491889248674} H12 31 -1 1 {} H 0.0 {0.427810449841 0.702534427094 0.481488923445} H13 32 -1 1 {} H 0.0 {0.432226080626 0.685983472925 0.48256848943} H14 33 -1 1 {} H 0.0 {0.500796942419 0.720311869385 0.52545545768} H15 34 -1 1 {} H 0.0 {0.478310103138 0.704740072884 0.516219349099} H16 35 -1 1 {} H 0.0 {0.471705983379 0.707049315051 0.499848197364} H17 36 -1 1 {} H 0.0 {0.469538236933 0.719675025855 0.51218850742} H18 37 -1 1 {} H 0.0 {0.488352345066 0.282551587749 0.495834075596} H19 38 -1 1 {} H 0.0 {0.467195458228 0.698477187031 0.439912068645} H20 39 -1 1 {} H 0.0 {0.473140445514 0.684643450046 0.448151639387} H21 40 -1 1 {} H 0.0 {0.466026705635 0.726429995714 0.458753750091} H22 41 -1 14 {} Si 0.0 {0.629865325426 0.271548455979 0.291851858123} Si1 42 -1 8 {} O 0.0 {0.623888542687 0.266831455991 0.308514463956} O1 43 -1 14 {} Si 0.0 {0.636600460251 0.271779056369 0.320729019907} Si2 44 -1 8 {} O 0.0 {0.644055230061 0.717024677281 0.328532745921} O2 45 -1 14 {} Si 0.0 {0.657110679283 0.72262692741 0.34012199947} Si3 46 -1 7 {} N 0.0 {0.671566267486 0.269934740317 0.330491033897} N1 47 -1 14 {} Si 0.0 {0.676199973343 0.718191624359 0.316924252253} Si4 48 -1 14 {} Si 0.0 {0.686869321962 0.270242670464 0.342111829541} Si5 49 -1 7 {} N 0.0 {0.685808639971 0.703829537442 0.325046489307} N2 50 -1 7 {} N 0.0 {0.687417335175 0.266880649956 0.304959126601} N3 51 -1 7 {} N 0.0 {0.661540731798 0.711223172028 0.307026514967} N4 52 -1 7 {} N 0.0 {0.700940541494 0.279137913814 0.333801410456} N5 53 -1 7 {} N 0.0 {0.682928806192 0.278251992274 0.358461566336} N6 54 -1 7 {} N 0.0 {0.691869321691 0.712670752277 0.345327055676} N7 55 -1 8 {} O 0.0 {0.617036461443 0.267509107778 0.279261726034} O3 56 -1 6 {} C 0.0 {0.645681438872 0.722224682625 0.288243020897} C1 57 -1 8 {} O 0.0 {0.633415008141 0.289601382009 0.291489556438} O4 58 -1 7 {} N 0.0 {0.662997004812 0.708317376037 0.350513520332} N8 59 -1 8 {} O 0.0 {0.649814572791 0.275422784323 0.351008129643} O5 60 -1 1 {} H 0.0 {0.630621730325 0.279937569039 0.330815671536} H1 61 -1 1 {} H 0.0 {0.646851675832 0.279211182362 0.314074215317} H2 62 -1 1 {} H 0.0 {0.69559417224 0.707376138721 0.327321283304} H3 63 -1 1 {} H 0.0 {0.68703438972 0.696166360453 0.317505344627} H4 64 -1 1 {} H 0.0 {0.681972449628 0.275216112426 0.301100687596} H5 65 -1 1 {} H 0.0 {0.68897839449 0.720301802089 0.296681302547} H6 66 -1 1 {} H 0.0 {0.657647577178 0.70264282717 0.31228149355} H7 67 -1 1 {} H 0.0 {0.66565555246 0.7074406023 0.297898029047} H8 68 -1 1 {} H 0.0 {0.709827471461 0.276707908682 0.339171492921} H9 69 -1 1 {} H 0.0 {0.699257246201 0.289638681696 0.335250892723} H10 70 -1 1 {} H 0.0 {0.690930555891 0.284967543763 0.360685291821} H11 71 -1 1 {} H 0.0 {0.683361900261 0.270456420395 0.365871836522} H12 72 -1 1 {} H 0.0 {0.688466961043 0.710149695179 0.355107426684} H13 73 -1 1 {} H 0.0 {0.702579788917 0.712446495717 0.345658075315} H14 74 -1 1 {} H 0.0 {0.607614580421 0.267176156534 0.283876864941} H15 75 -1 1 {} H 0.0 {0.644763251414 0.716993136873 0.278733344827} H16 76 -1 1 {} H 0.0 {0.647445005191 0.715006860316 0.296224315231} H17 77 -1 1 {} H 0.0 {0.654027047596 0.269062409525 0.287762316988} H18 78 -1 1 {} H 0.0 {0.643043688133 0.29133716128 0.295372944861} H19 79 -1 1 {} H 0.0 {0.673468601952 0.707323035775 0.348940633609} H20 80 -1 1 {} H 0.0 {0.658439734036 0.699464521543 0.346460687583} H21 81 -1 1 {} H 0.0 {0.639828708708 0.277127528142 0.348167527412} H22 82 -1 14 {} Si 0.0 {0.475926568558 0.376354631415 0.328249032895} Si1 83 -1 8 {} O 0.0 {0.489312835312 0.364044221138 0.331222578803} O1 84 -1 14 {} Si 0.0 {0.486287630363 0.349095936089 0.32101314978} Si2 85 -1 8 {} O 0.0 {0.487622001418 0.333781233628 0.331364800289} O2 86 -1 14 {} Si 0.0 {0.495117493581 0.337280897693 0.347996487202} Si3 87 -1 7 {} N 0.0 {0.510443262441 0.347755470093 0.346178902318} N1 88 -1 14 {} Si 0.0 {0.516822531279 0.351476188329 0.363330004726} Si4 89 -1 14 {} Si 0.0 {0.504793472066 0.363729033825 0.339106066403} Si5 90 -1 7 {} N 0.0 {0.534745539831 0.355920063337 0.362491394053} N2 91 -1 7 {} N 0.0 {0.514874648122 0.336620153689 0.374102173094} N3 92 -1 7 {} N 0.0 {0.507239098061 0.365682583133 0.370546700102} N4 93 -1 7 {} N 0.0 {0.517337094246 0.376975930558 0.34248603122} N5 94 -1 7 {} N 0.0 {0.502523824354 0.361801365978 0.320746542707} N6 95 -1 7 {} N 0.0 {0.488645371016 0.368276453096 0.347177483859} N7 96 -1 8 {} O 0.0 {0.46099788949 0.367760662703 0.321840296304} O3 97 -1 6 {} C 0.0 {0.481757180594 0.389012815951 0.3156365845} C1 98 -1 8 {} O 0.0 {0.471771413269 0.384876391642 0.344058252773} O4 99 -1 7 {} N 0.0 {0.499592334882 0.321080434124 0.355996166962} N8 100 -1 8 {} O 0.0 {0.482869246564 0.346110256053 0.358482052806} O5 101 -1 1 {} H 0.0 {0.495907116844 0.348521274908 0.31044255186} H1 102 -1 1 {} H 0.0 {0.473172542538 0.349850868653 0.31537218775} H2 103 -1 1 {} H 0.0 {0.539681642156 0.348201620434 0.357065445131} H3 104 -1 1 {} H 0.0 {0.538507379638 0.35548909185 0.3725683145} H4 105 -1 1 {} H 0.0 {0.524622241567 0.33253647456 0.375619471035} H5 106 -1 1 {} H 0.0 {0.509443945187 0.329481458289 0.368353710183} H6 107 -1 1 {} H 0.0 {0.511157892215 0.374629479405 0.36628408045} H7 108 -1 1 {} H 0.0 {0.509612150991 0.365992360052 0.381034379272} H8 109 -1 1 {} H 0.0 {0.512084031643 0.386248864315 0.342821209466} H9 110 -1 1 {} H 0.0 {0.523751830033 0.377409612575 0.333867772744} H10 111 -1 1 {} H 0.0 {0.508326424725 0.353361571726 0.317742900852} H11 112 -1 1 {} H 0.0 {0.507053253483 0.370397364852 0.316156296594} H12 113 -1 1 {} H 0.0 {0.481310321494 0.361213782385 0.343906491791} H13 114 -1 1 {} H 0.0 {0.485787457888 0.377769962873 0.343163527793} H14 115 -1 1 {} H 0.0 {0.459453841912 0.370475009525 0.311821209234} H15 116 -1 1 {} H 0.0 {0.473152780643 0.394429256765 0.311692083099} H16 117 -1 1 {} H 0.0 {0.486892952538 0.383925559403 0.307480348621} H17 118 -1 1 {} H 0.0 {0.488602633931 0.396022432142 0.320425980182} H18 119 -1 1 {} H 0.0 {0.461738564046 0.387919718269 0.343857864277} H19 120 -1 1 {} H 0.0 {0.510213882206 0.320060350511 0.355543635434} H20 121 -1 1 {} H 0.0 {0.495518044738 0.313412176134 0.349689011233} H21 122 -1 1 {} H 0.0 {0.476939413196 0.339094502211 0.363561512533} H22 123 -1 14 {} Si 0.0 {0.580623723677 0.520992980277 0.347187906295} Si1 124 -1 8 {} O 0.0 {0.577366451146 0.531228870698 0.362119726344} O1 125 -1 14 {} Si 0.0 {0.569081183959 0.546866384147 0.357119155099} Si2 126 -1 8 {} O 0.0 {0.581397740777 0.557920245823 0.349218581501} O2 127 -1 14 {} Si 0.0 {0.597295038979 0.556214684042 0.358163765806} Si3 128 -1 7 {} N 0.0 {0.604791522134 0.572910293018 0.360840692492} N1 129 -1 14 {} Si 0.0 {0.623141088411 0.5707238189 0.358500470895} Si4 130 -1 14 {} Si 0.0 {0.601501995541 0.577430876489 0.378655371624} Si5 131 -1 7 {} N 0.0 {0.632512504979 0.582443402322 0.369436959723} N2 132 -1 7 {} N 0.0 {0.627441251025 0.574063127249 0.340711352502} N3 133 -1 7 {} N 0.0 {0.62777471795 0.553216642246 0.362724480214} N4 134 -1 7 {} N 0.0 {0.58501492193 0.58597506647 0.379883227857} N5 135 -1 7 {} N 0.0 {0.601197948167 0.56202487188 0.389042490367} N6 136 -1 7 {} N 0.0 {0.614706113581 0.588787542387 0.384929180629} N7 137 -1 8 {} O 0.0 {0.564818868005 0.513772663359 0.341180930997} O3 138 -1 6 {} C 0.0 {0.592549605623 0.507155595027 0.351580398293} C1 139 -1 8 {} O 0.0 {0.58799339734 0.531497809155 0.333986318916} O4 140 -1 7 {} N 0.0 {0.609003509481 0.5457712767 0.348218789999} N8 141 -1 8 {} O 0.0 {0.594276389986 0.548189256205 0.374433571408} O5 142 -1 1 {} H 0.0 {0.563638126567 0.553285390773 0.368675488204} H1 143 -1 1 {} H 0.0 {0.558596818498 0.5439798807 0.347879704355} H2 144 -1 1 {} H 0.0 {0.640309627376 0.586698683433 0.363522251446} H3 145 -1 1 {} H 0.0 {0.637328079157 0.576437718705 0.376954516055} H4 146 -1 1 {} H 0.0 {0.619209521793 0.570740399276 0.334798290442} H5 147 -1 1 {} H 0.0 {0.635732203832 0.567650432255 0.338282196524} H6 148 -1 1 {} H 0.0 {0.632291721078 0.553372662843 0.372360516971} H7 149 -1 1 {} H 0.0 {0.635456185603 0.550295897656 0.355780396267} H8 150 -1 1 {} H 0.0 {0.583744309713 0.588959440399 0.390039004839} H9 151 -1 1 {} H 0.0 {0.57751580037 0.578512702125 0.377925923046} H10 152 -1 1 {} H 0.0 {0.606701083549 0.554570432311 0.383802373839} H11 153 -1 1 {} H 0.0 {0.590967188073 0.558683693316 0.389302813638} H12 154 -1 1 {} H 0.0 {0.623571265623 0.583004261971 0.386068891632} H13 155 -1 1 {} H 0.0 {0.611677253978 0.591737313146 0.394820641263} H14 156 -1 1 {} H 0.0 {0.560883625261 0.507404381489 0.348543165309} H15 157 -1 1 {} H 0.0 {0.587763843249 0.500336036777 0.358607344108} H16 158 -1 1 {} H 0.0 {0.601499463897 0.511384022591 0.356143267331} H17 159 -1 1 {} H 0.0 {0.595298165137 0.50172155587 0.342541952431} H18 160 -1 1 {} H 0.0 {0.597902868328 0.528478780674 0.332244558696} H19 161 -1 1 {} H 0.0 {0.614970389642 0.540277346546 0.355138333214} H20 162 -1 1 {} H 0.0 {0.615653374513 0.552561821755 0.343169648711} H21 163 -1 1 {} H 0.0 {0.583971660235 0.546645393402 0.375701410664} H22 164 -1 14 {} Si 0.0 {0.317168157152 0.531660107668 0.332202223746} Si1 165 -1 8 {} O 0.0 {0.326085682921 0.547677876684 0.33066298814} O1 166 -1 14 {} Si 0.0 {0.343543667405 0.544234351282 0.325956849433} Si2 167 -1 8 {} O 0.0 {0.351034111396 0.559148643402 0.318231917835} O2 168 -1 14 {} Si 0.0 {0.350139465365 0.55756311247 0.299915014002} Si3 169 -1 7 {} N 0.0 {0.367009355928 0.553549832156 0.293091792686} N1 170 -1 14 {} Si 0.0 {0.379353527874 0.553359483245 0.307402236206} Si4 171 -1 14 {} Si 0.0 {0.371236711689 0.566980178311 0.280391521704} Si5 172 -1 7 {} N 0.0 {0.392321774406 0.566694406349 0.305524493344} N2 173 -1 7 {} N 0.0 {0.387790232561 0.536796017807 0.30784256103} N3 174 -1 7 {} N 0.0 {0.37021535065 0.555710458242 0.323425752942} N4 175 -1 7 {} N 0.0 {0.382086104031 0.559715085585 0.267223222463} N5 176 -1 7 {} N 0.0 {0.35545627499 0.572987937097 0.272634770338} N6 177 -1 7 {} N 0.0 {0.379974841771 0.581502910186 0.288062981405} N7 178 -1 8 {} O 0.0 {0.327205585994 0.518448016574 0.324228463489} O3 179 -1 6 {} C 0.0 {0.300478834873 0.532848787075 0.323673062906} C1 180 -1 8 {} O 0.0 {0.31467233859 0.527641103507 0.350000297969} O4 181 -1 7 {} N 0.0 {0.34401919133 0.573477058097 0.29239586818} N8 182 -1 8 {} O 0.0 {0.338474138187 0.544005753758 0.295653737246} O5 183 -1 1 {} H 0.0 {0.343842074833 0.5334291566 0.31661397214} H1 184 -1 1 {} H 0.0 {0.350999502247 0.540645529671 0.337614274104} H2 185 -1 1 {} H 0.0 {0.400494456392 0.56247066628 0.300123640035} H3 186 -1 1 {} H 0.0 {0.396007690963 0.56878941356 0.315392671472} H4 187 -1 1 {} H 0.0 {0.38096762941 0.529673685276 0.303813937911} H5 188 -1 1 {} H 0.0 {0.389070981627 0.534264668837 0.318235578282} H6 189 -1 1 {} H 0.0 {0.377477991911 0.55575257815 0.331241231165} H7 190 -1 1 {} H 0.0 {0.364225539694 0.546882660491 0.324874408985} H8 191 -1 1 {} H 0.0 {0.38605409892 0.567842244002 0.261586533467} H9 192 -1 1 {} H 0.0 {0.375626183119 0.554256049795 0.260592989881} H10 193 -1 1 {} H 0.0 {0.349770065326 0.564388086381 0.269979716795} H11 194 -1 1 {} H 0.0 {0.358188794032 0.577825626949 0.263432319619} H12 195 -1 1 {} H 0.0 {0.373164360388 0.589705066556 0.287965264811} H13 196 -1 1 {} H 0.0 {0.388011877257 0.584144753712 0.281417361277} H14 197 -1 1 {} H 0.0 {0.324066469874 0.509079590413 0.327715358227} H15 198 -1 1 {} H 0.0 {0.296800522411 0.522820785677 0.321487008363} H16 199 -1 1 {} H 0.0 {0.301536711834 0.538436270519 0.314381598131} H17 200 -1 1 {} H 0.0 {0.293412844026 0.537963088907 0.330209701107} H18 201 -1 1 {} H 0.0 {0.30441386587 0.527883605518 0.352234918883} H19 202 -1 1 {} H 0.0 {0.342761612489 0.580467158183 0.300292913698} H20 203 -1 1 {} H 0.0 {0.334196272298 0.571470269226 0.288491411877} H21 204 -1 1 {} H 0.0 {0.331072965049 0.543321514527 0.303082071771} H22 205 -1 14 {} Si 0.0 {0.487028788157 0.649758246978 0.622865825878} Si1 206 -1 8 {} O 0.0 {0.489692334751 0.66697864932 0.628627525094} O1 207 -1 14 {} Si 0.0 {0.49605719463 0.665585064666 0.645689466557} Si2 208 -1 8 {} O 0.0 {0.487602030647 0.651169025105 0.653174188191} O2 209 -1 14 {} Si 0.0 {0.475171141112 0.645180866046 0.640835003929} Si3 210 -1 7 {} N 0.0 {0.460156334306 0.638703986678 0.649641143149} N1 211 -1 14 {} Si 0.0 {0.464736882177 0.622329769134 0.657402470697} Si4 212 -1 14 {} Si 0.0 {0.446794590909 0.635691470562 0.63674048641} Si5 213 -1 7 {} N 0.0 {0.461057626238 0.608472387001 0.645615443952} N2 214 -1 7 {} N 0.0 {0.455011571271 0.620020749471 0.673116020195} N3 215 -1 7 {} N 0.0 {0.482875065817 0.622192964959 0.661438056472} N4 216 -1 7 {} N 0.0 {0.444349501515 0.651120705575 0.626628889224} N5 217 -1 7 {} N 0.0 {0.45170850661 0.621783971421 0.625388983972} N6 218 -1 7 {} N 0.0 {0.430812253707 0.631417663002 0.645270920457} N7 219 -1 8 {} O 0.0 {0.469004063256 0.645279162548 0.623931632561} O3 220 -1 6 {} C 0.0 {0.497344029721 0.638414591839 0.633912054919} C1 221 -1 8 {} O 0.0 {0.4926422217 0.648100065494 0.605542333523} O4 222 -1 7 {} N 0.0 {0.482624332373 0.631589216696 0.630339714962} N8 223 -1 8 {} O 0.0 {0.470290512523 0.659360349928 0.630007579215} O5 224 -1 1 {} H 0.0 {0.493127294166 0.677455332813 0.653091020316} H1 225 -1 1 {} H 0.0 {0.510180997011 0.663327609722 0.645402611605} H2 226 -1 1 {} H 0.0 {0.452193572442 0.611044456615 0.640421438373} H3 227 -1 1 {} H 0.0 {0.468982826753 0.608407392272 0.638341630128} H4 228 -1 1 {} H 0.0 {0.447190123042 0.627275793285 0.673091421714} H5 229 -1 1 {} H 0.0 {0.461576164902 0.622637886982 0.6812195313} H6 230 -1 1 {} H 0.0 {0.487579784183 0.615538607772 0.654570659469} H7 231 -1 1 {} H 0.0 {0.48381977853 0.617704253393 0.671177691339} H8 232 -1 1 {} H 0.0 {0.436285007776 0.656530147753 0.631009089453} H9 233 -1 1 {} H 0.0 {0.440976139628 0.647932843522 0.616906848522} H10 234 -1 1 {} H 0.0 {0.461662441006 0.619024824194 0.627853602435} H11 235 -1 1 {} H 0.0 {0.445449583267 0.613379570479 0.627876100877} H12 236 -1 1 {} H 0.0 {0.424776852942 0.626153894072 0.638238956814} H13 237 -1 1 {} H 0.0 {0.425783193592 0.640736798137 0.64724586614} H14 238 -1 1 {} H 0.0 {0.467861211103 0.635949513835 0.628662103094} H15 239 -1 1 {} H 0.0 {0.49115692915 0.634425090359 0.641981024807} H16 240 -1 1 {} H 0.0 {0.505577971673 0.644127956348 0.638215949955} H17 241 -1 1 {} H 0.0 {0.501352949285 0.630214313297 0.62797513102} H18 242 -1 1 {} H 0.0 {0.487253988019 0.640374295394 0.60088963617} H19 243 -1 1 {} H 0.0 {0.479885673654 0.633468526177 0.620230086906} H20 244 -1 1 {} H 0.0 {0.477749847538 0.622454239116 0.633191561343} H21 245 -1 1 {} H 0.0 {0.459830898036 0.660177350092 0.629806246493} H22 246 -1 14 {} Si 0.0 {0.631047186758 0.627678582746 0.475278063678} Si1 247 -1 8 {} O 0.0 {0.635257099902 0.612756689786 0.485239460765} O1 248 -1 14 {} Si 0.0 {0.640293912398 0.61781760359 0.502218130688} Si2 249 -1 8 {} O 0.0 {0.655473177334 0.608589834511 0.507008651724} O2 250 -1 14 {} Si 0.0 {0.666120017024 0.60697080061 0.492152326327} Si3 251 -1 7 {} N 0.0 {0.683083885283 0.600901394182 0.496942218195} N1 252 -1 14 {} Si 0.0 {0.682725389973 0.582347985344 0.4963186118} Si4 253 -1 14 {} Si 0.0 {0.686076694144 0.605791279539 0.514591704018} Si5 254 -1 7 {} N 0.0 {0.667652660579 0.57687751699 0.486869409944} N2 255 -1 7 {} N 0.0 {0.682036044834 0.575496907388 0.513593762017} N3 256 -1 7 {} N 0.0 {0.698126329424 0.576196375784 0.487836785102} N4 257 -1 7 {} N 0.0 {0.669878883928 0.60649295892 0.523664257139} N5 258 -1 7 {} N 0.0 {0.697212507591 0.593267210125 0.522662615299} N6 259 -1 7 {} N 0.0 {0.694212844794 0.622492769956 0.51502469913} N7 260 -1 8 {} O 0.0 {0.615768952771 0.624405932305 0.465573462745} O3 261 -1 6 {} C 0.0 {0.645194570347 0.631667621288 0.463525703908} C1 262 -1 8 {} O 0.0 {0.628208501665 0.641969929811 0.486464918137} O4 263 -1 7 {} N 0.0 {0.667551325957 0.623566664815 0.483960086724} N8 264 -1 8 {} O 0.0 {0.658416206717 0.595049053881 0.48045689762} O5 265 -1 1 {} H 0.0 {0.629748887155 0.614871755774 0.511428509872} H1 266 -1 1 {} H 0.0 {0.643022527853 0.631841716507 0.502363310329} H2 267 -1 1 {} H 0.0 {0.667237956974 0.566241362488 0.487375183257} H3 268 -1 1 {} H 0.0 {0.6693902429 0.579411007794 0.476564334534} H4 269 -1 1 {} H 0.0 {0.675581617462 0.581801315028 0.519243102349} H5 270 -1 1 {} H 0.0 {0.691880129236 0.576657428622 0.517768046919} H6 271 -1 1 {} H 0.0 {0.697031124774 0.578183854232 0.477432914732} H7 272 -1 1 {} H 0.0 {0.698209318994 0.565491288122 0.488930445591} H8 273 -1 1 {} H 0.0 {0.670968135926 0.613596395026 0.531521421842} H9 274 -1 1 {} H 0.0 {0.668560852059 0.596904380999 0.528361523402} H10 275 -1 1 {} H 0.0 {0.692423406714 0.590086847763 0.531628738107} H11 276 -1 1 {} H 0.0 {0.706123671988 0.598519580562 0.525639036871} H12 277 -1 1 {} H 0.0 {0.704735592496 0.620864568875 0.515499522907} H13 278 -1 1 {} H 0.0 {0.691396070611 0.62705539695 0.524340752175} H14 279 -1 1 {} H 0.0 {0.615582946313 0.630660990762 0.457148557955} H15 280 -1 1 {} H 0.0 {0.643285171926 0.627048070578 0.453839549948} H16 281 -1 1 {} H 0.0 {0.65452663496 0.627805316147 0.467617064223} H17 282 -1 1 {} H 0.0 {0.645963823557 0.642478331147 0.462302283884} H18 283 -1 1 {} H 0.0 {0.622375788581 0.649150504527 0.481500679282} H19 284 -1 1 {} H 0.0 {0.674436564626 0.622535183404 0.475924692842} H20 285 -1 1 {} H 0.0 {0.672148654511 0.630149475132 0.491125356251} H21 286 -1 1 {} H 0.0 {0.652801727192 0.600312718191 0.473313424002} H22 287 -1 14 {} Si 0.0 {0.573904140334 0.372017767773 0.704608373001} Si1 288 -1 8 {} O 0.0 {0.555619465047 0.372441896359 0.706260988635} O1 289 -1 14 {} Si 0.0 {0.549026322787 0.374582090396 0.689459446273} Si2 290 -1 8 {} O 0.0 {0.563460181089 0.376054416358 0.678271845878} O2 291 -1 14 {} Si 0.0 {0.560972651997 0.389580177274 0.666264790872} Si3 292 -1 7 {} N 0.0 {0.555679220603 0.405682994721 0.675137813822} N1 293 -1 14 {} Si 0.0 {0.541436331976 0.402440993901 0.687305176297} Si4 294 -1 14 {} Si 0.0 {0.549966158199 0.417657497718 0.661989692872} Si5 295 -1 7 {} N 0.0 {0.533814117217 0.418605371446 0.693073377478} N2 296 -1 7 {} N 0.0 {0.548270250268 0.393628209639 0.702193136992} N3 297 -1 7 {} N 0.0 {0.528209100963 0.391849114232 0.679547503588} N4 298 -1 7 {} N 0.0 {0.564815267033 0.422777603209 0.651757487015} N5 299 -1 7 {} N 0.0 {0.537263961825 0.409019637753 0.651119185992} N6 300 -1 7 {} N 0.0 {0.542565359822 0.432873454288 0.66987510697} N7 301 -1 8 {} O 0.0 {0.580637215973 0.357433382872 0.253371670109} O3 302 -1 6 {} C 0.0 {0.581217958907 0.387772193802 0.251561692754} C1 303 -1 8 {} O 0.0 {0.578251140809 0.370798434065 0.686730707428} O4 304 -1 7 {} N 0.0 {0.548509474079 0.38381434343 0.653644417229} N8 305 -1 8 {} O 0.0 {0.576906037164 0.392650171395 0.657602087573} O5 306 -1 1 {} H 0.0 {0.541085222656 0.386352918902 0.688764033259} H1 307 -1 1 {} H 0.0 {0.54115984704 0.363214637293 0.685837865096} H2 308 -1 1 {} H 0.0 {0.525100825493 0.416174242979 0.698703514649} H3 309 -1 1 {} H 0.0 {0.530414812306 0.423862608374 0.684354674808} H4 310 -1 1 {} H 0.0 {0.557597264014 0.389364857751 0.699329944139} H5 311 -1 1 {} H 0.0 {0.541629862538 0.38541125642 0.70426061717} H6 312 -1 1 {} H 0.0 {0.521803976023 0.398267799761 0.673978488432} H7 313 -1 1 {} H 0.0 {0.522298163029 0.387877039005 0.687634287411} H8 314 -1 1 {} H 0.0 {0.565093849674 0.433407366757 0.651664790878} H9 315 -1 1 {} H 0.0 {0.562923391248 0.419665930461 0.641627980898} H10 316 -1 1 {} H 0.0 {0.542602765035 0.404445343587 0.64315193643} H11 317 -1 1 {} H 0.0 {0.531120623905 0.416602948491 0.646649690454} H12 318 -1 1 {} H 0.0 {0.539899041259 0.439567437078 0.661988427933} H13 319 -1 1 {} H 0.0 {0.550500205378 0.437663088425 0.675338034773} H14 320 -1 1 {} H 0.0 {0.574256273166 0.354944890366 0.261291174999} H15 321 -1 1 {} H 0.0 {0.585861420265 0.385614073534 0.26116266258} H16 322 -1 1 {} H 0.0 {0.573313381787 0.395157650284 0.252911495066} H17 323 -1 1 {} H 0.0 {0.588717922644 0.391695748777 0.704814670428} H18 324 -1 1 {} H 0.0 {0.586414099656 0.377067470586 0.684665609106} H19 325 -1 1 {} H 0.0 {0.547013675815 0.391614292072 0.646703714771} H20 326 -1 1 {} H 0.0 {0.539314942253 0.382383083192 0.658786739158} H21 327 -1 1 {} H 0.0 {0.57803034834 0.385686493744 0.649808079496} H22 328 -1 14 {} Si 0.0 {0.365465758006 0.358202780576 0.592834891585} Si1 329 -1 8 {} O 0.0 {0.373968179236 0.346651719202 0.581264985105} O1 330 -1 14 {} Si 0.0 {0.392170432574 0.347961311312 0.583730179164} Si2 331 -1 8 {} O 0.0 {0.400909228562 0.336336540212 0.572403729279} O2 332 -1 14 {} Si 0.0 {0.388701884449 0.325265556938 0.564258025632} Si3 333 -1 7 {} N 0.0 {0.384031183198 0.311556261506 0.576007135647} N1 334 -1 14 {} Si 0.0 {0.399671384552 0.302610942891 0.580549741337} Si4 335 -1 14 {} Si 0.0 {0.373244305822 0.29931242598 0.566828768618} Si5 336 -1 7 {} N 0.0 {0.397756912936 0.295068161773 0.597406952955} N2 337 -1 7 {} N 0.0 {0.413944921036 0.314511382061 0.580718178168} N3 338 -1 7 {} N 0.0 {0.402926576831 0.289249662017 0.568069640054} N4 339 -1 7 {} N 0.0 {0.380486517907 0.282275564957 0.568453716926} N5 340 -1 7 {} N 0.0 {0.356120362626 0.29943762849 0.574075329328} N6 341 -1 7 {} N 0.0 {0.372302890269 0.303798336919 0.548884940251} N7 342 -1 8 {} O 0.0 {0.356420440797 0.371007321709 0.583213724731} O3 343 -1 6 {} C 0.0 {0.378247702293 0.366507902251 0.60385330666} C1 344 -1 8 {} O 0.0 {0.35353844022 0.348830869209 0.603256236574} O4 345 -1 7 {} N 0.0 {0.396324362251 0.318041150121 0.548868819075} N8 346 -1 8 {} O 0.0 {0.3737571767 0.335044508534 0.559880097176} O5 347 -1 1 {} H 0.0 {0.395363537899 0.344681396476 0.597270079184} H1 348 -1 1 {} H 0.0 {0.396373070459 0.361346504437 0.580966318718} H2 349 -1 1 {} H 0.0 {0.40535486545 0.287677676756 0.59843563471} H3 350 -1 1 {} H 0.0 {0.38834862004 0.289838991835 0.597390827674} H4 351 -1 1 {} H 0.0 {0.418233222044 0.3144301953 0.570968659821} H5 352 -1 1 {} H 0.0 {0.421341792552 0.310345093795 0.587345729975} H6 353 -1 1 {} H 0.0 {0.400954102005 0.279959813026 0.572835179532} H7 354 -1 1 {} H 0.0 {0.41348455822 0.289462591023 0.565994786221} H8 355 -1 1 {} H 0.0 {0.37240449275 0.275347763913 0.567960740441} H9 356 -1 1 {} H 0.0 {0.384518751019 0.281576470365 0.57839050956} H10 357 -1 1 {} H 0.0 {0.357166291123 0.299091762706 0.58466478627} H11 358 -1 1 {} H 0.0 {0.351467190767 0.290177710293 0.571149937901} H12 359 -1 1 {} H 0.0 {0.375609261756 0.313799073129 0.547985320374} H13 360 -1 1 {} H 0.0 {0.361866508731 0.303741347647 0.546257467275} H14 361 -1 1 {} H 0.0 {0.362149896739 0.373803725396 0.574875279722} H15 362 -1 1 {} H 0.0 {0.383479012589 0.374208914487 0.598181771102} H16 363 -1 1 {} H 0.0 {0.385411409359 0.359070609231 0.607341702872} H17 364 -1 1 {} H 0.0 {0.373268291404 0.371053506922 0.612417279804} H18 365 -1 1 {} H 0.0 {0.358417610415 0.345350955791 0.611874917967} H19 366 -1 1 {} H 0.0 {0.388462031263 0.316230666562 0.541953676968} H20 367 -1 1 {} H 0.0 {0.400288194827 0.308414740205 0.551606720024} H21 368 -1 1 {} H 0.0 {0.376038794055 0.345287359551 0.560322658136} H22 369 -1 14 {} Si 0.0 {0.722153785476 0.494266395155 0.39912459293} Si1 370 -1 8 {} O 0.0 {0.709392391748 0.494519405655 0.412388510558} O1 371 -1 14 {} Si 0.0 {0.698884149649 0.509474756947 0.410403896361} Si2 372 -1 8 {} O 0.0 {0.681313243195 0.504464153158 0.408362401838} O2 373 -1 14 {} Si 0.0 {0.675341367722 0.510268557098 0.391990564649} Si3 374 -1 7 {} N 0.0 {0.680362094678 0.528015618149 0.389510349698} N1 375 -1 14 {} Si 0.0 {0.695094261976 0.527628143634 0.378175880719} Si4 376 -1 14 {} Si 0.0 {0.686077212619 0.534651543679 0.406058457386} Si5 377 -1 7 {} N 0.0 {0.700886175921 0.510035316933 0.376503880003} N2 378 -1 7 {} N 0.0 {0.708794796199 0.538057487749 0.385154583129} N3 379 -1 7 {} N 0.0 {0.690274468105 0.534153371111 0.361458099949} N4 380 -1 7 {} N 0.0 {0.676035859681 0.526925798565 0.419692753419} N5 381 -1 7 {} N 0.0 {0.704048029047 0.53062434388 0.408676317754} N6 382 -1 7 {} N 0.0 {0.683804088111 0.55312489744 0.406466145294} N7 383 -1 8 {} O 0.0 {0.725246866373 0.51143255859 0.393247234086} O3 384 -1 6 {} C 0.0 {0.716068285232 0.48374169623 0.384788580747} C1 385 -1 8 {} O 0.0 {0.277640578183 0.487154634608 0.405758896765} O4 386 -1 7 {} N 0.0 {0.656820559711 0.508705160902 0.391112067879} N8 387 -1 8 {} O 0.0 {0.682974892358 0.500006712189 0.378749192247} O5 388 -1 1 {} H 0.0 {0.70310756409 0.516714768487 0.398821862632} H1 389 -1 1 {} H 0.0 {0.700162987463 0.517787015626 0.421965666791} H2 390 -1 1 {} H 0.0 {0.711498287893 0.51010729935 0.377209519392} H3 391 -1 1 {} H 0.0 {0.698488004021 0.506932783611 0.366484349588} H4 392 -1 1 {} H 0.0 {0.704612377198 0.547520657944 0.387656274141} H5 393 -1 1 {} H 0.0 {0.715740664317 0.539795413778 0.377123600104} H6 394 -1 1 {} H 0.0 {0.682563041122 0.527835402149 0.357704373853} H7 395 -1 1 {} H 0.0 {0.698792185318 0.532738581177 0.355032610178} H8 396 -1 1 {} H 0.0 {0.681484528237 0.518482688189 0.42323932617} H9 397 -1 1 {} H 0.0 {0.66707428468 0.523104522758 0.415152804755} H10 398 -1 1 {} H 0.0 {0.708004183902 0.53799868112 0.415273713809} H11 399 -1 1 {} H 0.0 {0.708938846076 0.53204509024 0.39925656905} H12 400 -1 1 {} H 0.0 {0.688681629359 0.557104049108 0.397875548346} H13 401 -1 1 {} H 0.0 {0.689262885867 0.556723377696 0.415025436445} H14 402 -1 1 {} H 0.0 {0.273781941895 0.511581987956 0.387311284101} H15 403 -1 1 {} H 0.0 {0.712244506906 0.490213954612 0.376896149381} H16 404 -1 1 {} H 0.0 {0.708113781942 0.477143396204 0.388249413513} H17 405 -1 1 {} H 0.0 {0.724317256285 0.477766973336 0.380910818315} H18 406 -1 1 {} H 0.0 {0.281361521098 0.480017491147 0.399017045953} H19 407 -1 1 {} H 0.0 {0.653475439335 0.515048985129 0.3832327108} H20 408 -1 1 {} H 0.0 {0.652928385688 0.512838304045 0.400241346166} H21 409 -1 1 {} H 0.0 {0.677501967824 0.491137961161 0.377602994245} H22 410 -1 14 {} Si 0.0 {0.558623292105 0.725268042606 0.567786179456} Si1 411 -1 8 {} O 0.0 {0.55763695786 0.281988348104 0.574877014995} O1 412 -1 14 {} Si 0.0 {0.54067453188 0.288416014447 0.571790097429} Si2 413 -1 8 {} O 0.0 {0.530631314037 0.288275954373 0.587334771473} O2 414 -1 14 {} Si 0.0 {0.541757123655 0.286301649069 0.601721392798} Si3 415 -1 7 {} N 0.0 {0.532100256086 0.28740073085 0.61773446012} N1 416 -1 14 {} Si 0.0 {0.530519195981 0.270254330391 0.624755093065} Si4 417 -1 14 {} Si 0.0 {0.514765322332 0.293109833288 0.614074918169} Si5 418 -1 7 {} N 0.0 {0.544361279022 0.719676838043 0.618533346372} N2 419 -1 7 {} N 0.0 {0.514225583906 0.723061899413 0.619552369732} N3 420 -1 7 {} N 0.0 {0.531195463543 0.271193855428 0.643308522225} N4 421 -1 7 {} N 0.0 {0.507870851286 0.283698586795 0.599580749489} N5 422 -1 7 {} N 0.0 {0.504267686045 0.289955670759 0.629096540683} N6 423 -1 7 {} N 0.0 {0.514721399036 0.311292602199 0.610327590924} N7 424 -1 8 {} O 0.0 {0.568342567027 0.714391221924 0.579027063606} O3 425 -1 6 {} C 0.0 {0.566763017017 0.725607145248 0.550777877858} C1 426 -1 8 {} O 0.0 {0.541532483257 0.718867723032 0.566157500126} O4 427 -1 7 {} N 0.0 {0.554525946758 0.299802233137 0.601282454187} N8 428 -1 8 {} O 0.0 {0.550090175234 0.269934011257 0.600727136879} O5 429 -1 1 {} H 0.0 {0.534295952005 0.280067295596 0.562044823765} H1 430 -1 1 {} H 0.0 {0.541634130501 0.3017657653 0.56678491142} H2 431 -1 1 {} H 0.0 {0.539969577318 0.712023292055 0.612551956315} H3 432 -1 1 {} H 0.0 {0.548567441991 0.714782699535 0.627136080783} H4 433 -1 1 {} H 0.0 {0.507669208753 0.271039763743 0.617376426489} H5 434 -1 1 {} H 0.0 {0.510176462631 0.718085504427 0.628193407976} H6 435 -1 1 {} H 0.0 {0.539500022929 0.725470489938 0.646471946229} H7 436 -1 1 {} H 0.0 {0.522372672027 0.726370705107 0.646974762759} H8 437 -1 1 {} H 0.0 {0.504264537444 0.290882935889 0.592580933284} H9 438 -1 1 {} H 0.0 {0.499243823778 0.278356135563 0.603191183264} H10 439 -1 1 {} H 0.0 {0.499842468166 0.280339582862 0.627931679077} H11 440 -1 1 {} H 0.0 {0.496258269385 0.297097289305 0.62881057961} H12 441 -1 1 {} H 0.0 {0.513418276655 0.31640299202 0.61959803816} H13 442 -1 1 {} H 0.0 {0.505864264195 0.313209111809 0.604518740534} H14 443 -1 1 {} H 0.0 {0.578571405157 0.715301089439 0.576776679313} H15 444 -1 1 {} H 0.0 {0.576825324819 0.269553943462 0.551617531092} H16 445 -1 1 {} H 0.0 {0.560868584524 0.271681485964 0.544033305492} H17 446 -1 1 {} H 0.0 {0.567289449389 0.715434757997 0.54681113653} H18 447 -1 1 {} H 0.0 {0.536219445905 0.720997246714 0.574944149531} H19 448 -1 1 {} H 0.0 {0.564080162348 0.295171029627 0.602112259816} H20 449 -1 1 {} H 0.0 {0.553140671963 0.305649511681 0.610208240945} H21 450 -1 1 {} H 0.0 {0.559979055599 0.271248941772 0.597477618774} H22 451 -1 14 {} Si 0.0 {0.329540882417 0.33338321453 0.29592496378} Si1 452 -1 8 {} O 0.0 {0.332752106156 0.317841555116 0.286563910659} O1 453 -1 14 {} Si 0.0 {0.318971733425 0.305996745789 0.28944092492} Si2 454 -1 8 {} O 0.0 {0.307770544019 0.305908933269 0.274847503152} O2 455 -1 14 {} Si 0.0 {0.292407211339 0.314896869141 0.279281362097} Si3 456 -1 7 {} N 0.0 {0.282165313925 0.318069691453 0.264061158066} N1 457 -1 14 {} Si 0.0 {0.728032038884 0.306150845734 0.264342392441} Si4 458 -1 14 {} Si 0.0 {0.292457816297 0.313834643817 0.709289997873} Si5 459 -1 7 {} N 0.0 {0.72345221146 0.30232834895 0.281942130149} N2 460 -1 7 {} N 0.0 {0.272760224728 0.290438328965 0.255657064803} N3 461 -1 7 {} N 0.0 {0.713481466084 0.313774769155 0.255657052074} N4 462 -1 7 {} N 0.0 {0.297710502502 0.296042185053 0.24999454131} N5 463 -1 7 {} N 0.0 {0.282336557569 0.316643406512 0.693947795065} N6 464 -1 7 {} N 0.0 {0.307512206931 0.324606973154 0.708764864194} N7 465 -1 8 {} O 0.0 {0.311437236076 0.335423072679 0.298480259943} O3 466 -1 6 {} C 0.0 {0.336164410634 0.348023314415 0.286194422585} C1 467 -1 8 {} O 0.0 {0.33795407588 0.332585004252 0.312261026618} O4 468 -1 7 {} N 0.0 {0.296938726853 0.331086377657 0.287189822504} N8 469 -1 8 {} O 0.0 {0.282686280505 0.30481056411 0.291195850238} O5 470 -1 1 {} H 0.0 {0.311603322827 0.310025393688 0.301021192973} H1 471 -1 1 {} H 0.0 {0.324270772974 0.292880495143 0.291494838239} H2 472 -1 1 {} H 0.0 {0.725918014595 0.292108940038 0.28369472058} H3 473 -1 1 {} H 0.0 {0.712735183039 0.303039176273 0.282558504667} H4 474 -1 1 {} H 0.0 {0.280842964262 0.29279697299 0.709272274222} H5 475 -1 1 {} H 0.0 {0.72459762873 0.287698746993 0.709501411073} H6 476 -1 1 {} H 0.0 {0.708179610738 0.319556766436 0.262862791965} H7 477 -1 1 {} H 0.0 {0.706984415968 0.305679437615 0.252840626352} H8 478 -1 1 {} H 0.0 {0.305474075556 0.295389374735 0.257265339234} H9 479 -1 1 {} H 0.0 {0.302212858918 0.293721749392 0.700627069194} H10 480 -1 1 {} H 0.0 {0.273954282628 0.310086282421 0.694450185435} H11 481 -1 1 {} H 0.0 {0.288318343227 0.313344782268 0.685649291049} H12 482 -1 1 {} H 0.0 {0.311075597323 0.324473967634 0.698722886467} H13 483 -1 1 {} H 0.0 {0.315003369806 0.319714721366 0.254598547342} H14 484 -1 1 {} H 0.0 {0.309644173667 0.344294060957 0.303814939403} H15 485 -1 1 {} H 0.0 {0.327846102528 0.354246166582 0.282896584109} H16 486 -1 1 {} H 0.0 {0.341687819998 0.344414511123 0.277513572053} H17 487 -1 1 {} H 0.0 {0.342794267922 0.35389119239 0.292530152299} H18 488 -1 1 {} H 0.0 {0.332702006066 0.33849647787 0.319176145287} H19 489 -1 1 {} H 0.0 {0.288789768131 0.337749220517 0.285652268964} H20 490 -1 1 {} H 0.0 {0.305230388339 0.335035765522 0.281585471042} H21 491 -1 1 {} H 0.0 {0.284153573052 0.308519536869 0.300907052593} H22 492 -1 14 {} Si 0.0 {0.528356877907 0.596590280892 0.566520883693} Si1 493 -1 8 {} O 0.0 {0.53585897307 0.612221340171 0.572522174683} O1 494 -1 14 {} Si 0.0 {0.547307749697 0.608413365981 0.586378666122} Si2 495 -1 8 {} O 0.0 {0.546319048667 0.590500403695 0.59036441262} O2 496 -1 14 {} Si 0.0 {0.563234449912 0.583571166489 0.590341970707} Si3 497 -1 7 {} N 0.0 {0.575354205393 0.597368417657 0.592453498841} N1 498 -1 14 {} Si 0.0 {0.59040842064 0.592548549069 0.582819698268} Si4 499 -1 14 {} Si 0.0 {0.580003116355 0.597159746928 0.610288352918} Si5 500 -1 7 {} N 0.0 {0.599201378867 0.578928039682 0.591872875245} N2 501 -1 7 {} N 0.0 {0.601781210299 0.607168833353 0.580964047539} N3 502 -1 7 {} N 0.0 {0.585176258042 0.586532807793 0.566044137415} N4 503 -1 7 {} N 0.0 {0.575420131955 0.613243178134 0.61827114516} N5 504 -1 7 {} N 0.0 {0.570726866662 0.583399542933 0.618630462755} N6 505 -1 7 {} N 0.0 {0.598282182932 0.594333051054 0.611765581355} N7 506 -1 8 {} O 0.0 {0.51234340947 0.600223618617 0.558220081144} O3 507 -1 6 {} C 0.0 {0.525429036827 0.585190102454 0.581151524026} C1 508 -1 8 {} O 0.0 {0.539769372144 0.588479533077 0.554576083648} O4 509 -1 7 {} N 0.0 {0.566443584997 0.57479816455 0.574300315522} N8 510 -1 8 {} O 0.0 {0.565171745904 0.571703197991 0.604274436467} O5 511 -1 1 {} H 0.0 {0.543656649779 0.616064275519 0.597877190073} H1 512 -1 1 {} H 0.0 {0.560686027331 0.611674243963 0.582531013576} H2 513 -1 1 {} H 0.0 {0.607153301525 0.575608586386 0.585649294724} H3 514 -1 1 {} H 0.0 {0.592247855661 0.570742197695 0.592612968873} H4 515 -1 1 {} H 0.0 {0.595997518636 0.615227713753 0.577090116784} H5 516 -1 1 {} H 0.0 {0.608915926127 0.604568740205 0.573325590875} H6 517 -1 1 {} H 0.0 {0.592329695817 0.579320867214 0.562898644563} H7 518 -1 1 {} H 0.0 {0.586086834432 0.59489888441 0.559343714476} H8 519 -1 1 {} H 0.0 {0.583212501469 0.61569787911 0.625049566036} H9 520 -1 1 {} H 0.0 {0.566695995348 0.611284468875 0.624251761932} H10 521 -1 1 {} H 0.0 {0.560525184659 0.584234229046 0.615591099813} H11 522 -1 1 {} H 0.0 {0.570925741414 0.585462882791 0.629161537923} H12 523 -1 1 {} H 0.0 {0.599959305298 0.583877664681 0.610639731856} H13 524 -1 1 {} H 0.0 {0.600978121376 0.596798404009 0.621827498967} H14 525 -1 1 {} H 0.0 {0.507727223542 0.608366201216 0.562962360866} H15 526 -1 1 {} H 0.0 {0.514810764068 0.584826873335 0.583391446754} H16 527 -1 1 {} H 0.0 {0.530796295834 0.588966282015 0.589821272392} H17 528 -1 1 {} H 0.0 {0.528997123049 0.575173567566 0.578737308708} H18 529 -1 1 {} H 0.0 {0.545383974498 0.58113285014 0.55954669484} H19 530 -1 1 {} H 0.0 {0.576198193574 0.570541560698 0.574939100442} H20 531 -1 1 {} H 0.0 {0.566897226576 0.582366139987 0.566686981859} H21 532 -1 1 {} H 0.0 {0.55585222543 0.56997974794 0.60872131145} H22 533 -1 14 {} Si 0.0 {0.397644675282 0.356067487018 0.313712250132} Si1 534 -1 8 {} O 0.0 {0.409424379067 0.36275171906 0.301285639703} O1 535 -1 14 {} Si 0.0 {0.408021674293 0.381052493441 0.301011817616} Si2 536 -1 8 {} O 0.0 {0.401501554884 0.386831441102 0.317179538867} O2 537 -1 14 {} Si 0.0 {0.41080248517 0.401740076932 0.322440282706} Si3 538 -1 7 {} N 0.0 {0.413607047345 0.412697603726 0.307693416415} N1 539 -1 14 {} Si 0.0 {0.417329246728 0.42981130692 0.313960159249} Si4 540 -1 14 {} Si 0.0 {0.397480779124 0.413683228421 0.298506546029} Si5 541 -1 7 {} N 0.0 {0.434648177754 0.434541477622 0.30915197414} N2 542 -1 7 {} N 0.0 {0.415686790253 0.430203757349 0.332471768167} N3 543 -1 7 {} N 0.0 {0.405328969123 0.441846055133 0.306419229893} N4 544 -1 7 {} N 0.0 {0.385836221886 0.400666402529 0.304902436499} N5 545 -1 7 {} N 0.0 {0.389941764845 0.430486748466 0.301007162952} N6 546 -1 7 {} N 0.0 {0.400514947311 0.410932018643 0.280427348821} N7 547 -1 8 {} O 0.0 {0.38811241015 0.369941238772 0.321155133833} O3 548 -1 6 {} C 0.0 {0.407161247201 0.34708944293 0.327200091693} C1 549 -1 8 {} O 0.0 {0.386060887112 0.344373154378 0.305502510628} O4 550 -1 7 {} N 0.0 {0.427119884046 0.396613348396 0.329726648661} N8 551 -1 8 {} O 0.0 {0.401050415204 0.410804057392 0.33499103945} O5 552 -1 1 {} H 0.0 {0.399090231191 0.385011850655 0.290571689539} H1 553 -1 1 {} H 0.0 {0.420905487263 0.386817048098 0.298727300094} H2 554 -1 1 {} H 0.0 {0.43983780236 0.437051672574 0.318108393869} H3 555 -1 1 {} H 0.0 {0.433882172511 0.443612332304 0.303410161444} H4 556 -1 1 {} H 0.0 {0.419273158078 0.420880571406 0.33616228979} H5 557 -1 1 {} H 0.0 {0.405148798119 0.430506659105 0.334625734711} H6 558 -1 1 {} H 0.0 {0.411059136553 0.449386844648 0.301542096193} H7 559 -1 1 {} H 0.0 {0.40024300474 0.446660321518 0.314583805639} H8 560 -1 1 {} H 0.0 {0.380803912288 0.396514838277 0.296474789744} H9 561 -1 1 {} H 0.0 {0.378362511857 0.40579643087 0.31070380978} H10 562 -1 1 {} H 0.0 {0.38029690711 0.429015423771 0.305276152957} H11 563 -1 1 {} H 0.0 {0.388350067676 0.434637983372 0.291210884279} H12 564 -1 1 {} H 0.0 {0.392897136664 0.416178319769 0.275149200357} H13 565 -1 1 {} H 0.0 {0.398882096329 0.400450712132 0.278590743791} H14 566 -1 1 {} H 0.0 {0.378655627049 0.366484653174 0.324118303246} H15 567 -1 1 {} H 0.0 {0.400183641331 0.343364758904 0.334697232343} H16 568 -1 1 {} H 0.0 {0.414190282309 0.353981731639 0.33188336009} H17 569 -1 1 {} H 0.0 {0.412623516984 0.338729573297 0.322842527897} H18 570 -1 1 {} H 0.0 {0.388454306477 0.33454849828 0.308304159925} H19 571 -1 1 {} H 0.0 {0.433913312872 0.404674313966 0.328261491595} H20 572 -1 1 {} H 0.0 {0.430731500917 0.388428207082 0.323746410845} H21 573 -1 1 {} H 0.0 {0.390828803648 0.409195033671 0.333228184458} H22 574 -1 14 {} Si 0.0 {0.669198530537 0.274764196285 0.345283009745} Si1 575 -1 8 {} O 0.0 {0.677557762724 0.719198902766 0.339119195602} O1 576 -1 14 {} Si 0.0 {0.690310450436 0.722944733804 0.325778697685} Si2 577 -1 8 {} O 0.0 {0.687646199088 0.710507496497 0.312444819971} O2 578 -1 14 {} Si 0.0 {0.671678785142 0.702300386724 0.317767633054} Si3 579 -1 7 {} N 0.0 {0.66657205239 0.689385694914 0.30562983442} N1 580 -1 14 {} Si 0.0 {0.662574885898 0.674583911489 0.316176668294} Si4 581 -1 14 {} Si 0.0 {0.681770536746 0.685046195282 0.295668432273} Si5 582 -1 7 {} N 0.0 {0.646764640644 0.677671433486 0.325477340659} N2 583 -1 7 {} N 0.0 {0.676401675769 0.672028094119 0.328356315622} N3 584 -1 7 {} N 0.0 {0.660739311287 0.659453121112 0.305620656549} N4 585 -1 7 {} N 0.0 {0.68192967283 0.666803250648 0.292249065246} N5 586 -1 7 {} N 0.0 {0.68171788952 0.694300846441 0.279579419831} N6 587 -1 7 {} N 0.0 {0.697002542879 0.689667557917 0.305255899922} N7 588 -1 8 {} O 0.0 {0.660881845408 0.271090459769 0.361282513393} O3 589 -1 6 {} C 0.0 {0.656414805412 0.280542576738 0.33271970795} C1 590 -1 8 {} O 0.0 {0.681452285051 0.288329500981 0.347537490835} O4 591 -1 7 {} N 0.0 {0.658086011346 0.715609349606 0.320219240793} N8 592 -1 8 {} O 0.0 {0.674484003232 0.694142688995 0.33398360424} O5 593 -1 1 {} H 0.0 {0.703528599636 0.721670874179 0.331095831769} H1 594 -1 1 {} H 0.0 {0.68832315994 0.276036267052 0.32066940594} H2 595 -1 1 {} H 0.0 {0.649207151298 0.6779141097 0.335862379789} H3 596 -1 1 {} H 0.0 {0.640573654607 0.669005449143 0.323998781735} H4 597 -1 1 {} H 0.0 {0.685501479156 0.674480056231 0.323367119498} H5 598 -1 1 {} H 0.0 {0.676792318935 0.661498115616 0.330438747683} H6 599 -1 1 {} H 0.0 {0.651319095672 0.660162200904 0.30071921514} H7 600 -1 1 {} H 0.0 {0.660058480603 0.651086276989 0.312368194702} H8 601 -1 1 {} H 0.0 {0.691818811944 0.663347589439 0.294128397927} H9 602 -1 1 {} H 0.0 {0.680236881028 0.665636225288 0.28168722556} H10 603 -1 1 {} H 0.0 {0.686048419898 0.687894749848 0.272235259734} H11 604 -1 1 {} H 0.0 {0.68847142508 0.702597059028 0.280763817239} H12 605 -1 1 {} H 0.0 {0.704373902314 0.692722752917 0.298182269673} H13 606 -1 1 {} H 0.0 {0.70065975931 0.680627866859 0.309775050161} H14 607 -1 1 {} H 0.0 {0.6649936303 0.722500382095 0.365461153253} H15 608 -1 1 {} H 0.0 {0.647541301413 0.274326027228 0.333386404037} H16 609 -1 1 {} H 0.0 {0.660617934192 0.279844974914 0.322686002656} H17 610 -1 1 {} H 0.0 {0.653735402958 0.290903401463 0.33480026333} H18 611 -1 1 {} H 0.0 {0.676327481453 0.29729132639 0.349653214663} H19 612 -1 1 {} H 0.0 {0.649049235757 0.712145951585 0.315514155719} H20 613 -1 1 {} H 0.0 {0.661187661969 0.724420847263 0.314724833125} H21 614 -1 1 {} H 0.0 {0.682681536095 0.68769381891 0.333239022296} H22 615 -1 14 {} Si 0.0 {0.289079372166 0.686095170418 0.397373207242} Si1 616 -1 8 {} O 0.0 {0.304360786254 0.681407342871 0.406520452927} O1 617 -1 14 {} Si 0.0 {0.308512244337 0.66383198362 0.402933395386} Si2 618 -1 8 {} O 0.0 {0.314190588663 0.655569296983 0.418412923389} O2 619 -1 14 {} Si 0.0 {0.332589646141 0.654127979536 0.418454368907} Si3 620 -1 7 {} N 0.0 {0.339455661579 0.662637106742 0.433500203052} N1 621 -1 14 {} Si 0.0 {0.347588092537 0.678236571922 0.42754472085} Si4 622 -1 14 {} Si 0.0 {0.352901147695 0.651728282678 0.440366489295} Si5 623 -1 7 {} N 0.0 {0.365163695251 0.674569133521 0.422728186792} N2 624 -1 7 {} N 0.0 {0.347368671888 0.690951758183 0.441096716102} N3 625 -1 7 {} N 0.0 {0.338355473153 0.684732349436 0.412771525585} N4 626 -1 7 {} N 0.0 {0.367933726271 0.661964975192 0.444066376878} N5 627 -1 7 {} N 0.0 {0.347052547486 0.643658001909 0.456041961366} N6 628 -1 7 {} N 0.0 {0.357203847822 0.638648689485 0.42787702114} N7 629 -1 8 {} O 0.0 {0.275170548481 0.688114065919 0.409253507313} O3 630 -1 6 {} C 0.0 {0.284805757984 0.672627452817 0.384968374314} C1 631 -1 8 {} O 0.0 {0.291887856245 0.701956219231 0.388489964328} O4 632 -1 7 {} N 0.0 {0.339589097342 0.662137335215 0.40319646591} N8 633 -1 8 {} O 0.0 {0.337355510412 0.636356941295 0.418776056397} O5 634 -1 1 {} H 0.0 {0.318881809178 0.663282118532 0.39310368995} H1 635 -1 1 {} H 0.0 {0.296888988645 0.657134878686 0.397969342349} H2 636 -1 1 {} H 0.0 {0.371131409352 0.67565656577 0.431480911415} H3 637 -1 1 {} H 0.0 {0.368197085148 0.682362229488 0.41596310372} H4 638 -1 1 {} H 0.0 {0.343190154738 0.686302184427 0.449722611684} H5 639 -1 1 {} H 0.0 {0.340413263859 0.698574642644 0.438053916844} H6 640 -1 1 {} H 0.0 {0.345314191059 0.690207872258 0.406851706843} H7 641 -1 1 {} H 0.0 {0.33121425016 0.691864087495 0.416486884844} H8 642 -1 1 {} H 0.0 {0.376297409515 0.656924310909 0.439821042623} H9 643 -1 1 {} H 0.0 {0.369285275698 0.661682704558 0.454744519689} H10 644 -1 1 {} H 0.0 {0.343714526261 0.651358751432 0.462477555973} H11 645 -1 1 {} H 0.0 {0.355723920172 0.639337804173 0.460706786351} H12 646 -1 1 {} H 0.0 {0.356286278572 0.629211546586 0.432735545142} H13 647 -1 1 {} H 0.0 {0.367632109417 0.63990588946 0.425567050107} H14 648 -1 1 {} H 0.0 {0.726579448582 0.68392444483 0.405161657573} H15 649 -1 1 {} H 0.0 {0.27603578866 0.667151723812 0.388426943779} H16 650 -1 1 {} H 0.0 {0.293219948827 0.665772544395 0.38400404889} H17 651 -1 1 {} H 0.0 {0.282677715414 0.677147170847 0.375281431793} H18 652 -1 1 {} H 0.0 {0.288402769805 0.701090272985 0.37864008566} H19 653 -1 1 {} H 0.0 {0.348842301169 0.666666289851 0.40598097327} H20 654 -1 1 {} H 0.0 {0.332929852589 0.670162430657 0.400586596839} H21 655 -1 1 {} H 0.0 {0.333372096479 0.631522256121 0.410352745501} H22 656 -1 14 {} Si 0.0 {0.719696550765 0.320488853571 0.386648022565} Si1 657 -1 8 {} O 0.0 {0.275165382013 0.317386006123 0.395943658191} O1 658 -1 14 {} Si 0.0 {0.289562776318 0.320319377892 0.384837643017} Si2 659 -1 8 {} O 0.0 {0.305128038671 0.320230938554 0.394700119684} O2 660 -1 14 {} Si 0.0 {0.303256314171 0.308682092519 0.408872218384} Si3 661 -1 7 {} N 0.0 {0.28799307931 0.313244315839 0.418430439418} N1 662 -1 14 {} Si 0.0 {0.293356355497 0.321898640098 0.434044459793} Si4 663 -1 14 {} Si 0.0 {0.27952885376 0.297378737165 0.423231692779} Si5 664 -1 7 {} N 0.0 {0.311283232136 0.3266402953 0.432692652456} N2 665 -1 7 {} N 0.0 {0.291010441074 0.31062885278 0.448650627741} N3 666 -1 7 {} N 0.0 {0.28310316598 0.33724136837 0.436358043102} N4 667 -1 7 {} N 0.0 {0.272673040621 0.298894065448 0.440395849435} N5 668 -1 7 {} N 0.0 {0.725831419335 0.294001601876 0.411256671653} N6 669 -1 7 {} N 0.0 {0.291683627638 0.283361807282 0.422726930373} N7 670 -1 8 {} O 0.0 {0.706542708961 0.325911100608 0.398326470286} O3 671 -1 6 {} C 0.0 {0.714276848104 0.3046887445 0.37800544923} C1 672 -1 8 {} O 0.0 {0.722568798291 0.33365070618 0.374114431834} O4 673 -1 7 {} N 0.0 {0.318186880012 0.30982231306 0.419906603743} N8 674 -1 8 {} O 0.0 {0.301621940847 0.291479741355 0.402553972087} O5 675 -1 1 {} H 0.0 {0.288080378773 0.332991541306 0.378385459776} H1 676 -1 1 {} H 0.0 {0.290128181012 0.309989247481 0.374972016365} H2 677 -1 1 {} H 0.0 {0.314107783891 0.330997830188 0.442000663277} H3 678 -1 1 {} H 0.0 {0.311852249099 0.334481764986 0.425345632285} H4 679 -1 1 {} H 0.0 {0.292684953115 0.300673168656 0.44527256026} H5 680 -1 1 {} H 0.0 {0.2806203854 0.311240091386 0.451383547362} H6 681 -1 1 {} H 0.0 {0.289829323932 0.3454898008 0.436874026198} H7 682 -1 1 {} H 0.0 {0.278487513412 0.336441399565 0.44604047892} H8 683 -1 1 {} H 0.0 {0.272377718741 0.289086174562 0.444548282813} H9 684 -1 1 {} H 0.0 {0.722646013245 0.302043391138 0.439341776124} H10 685 -1 1 {} H 0.0 {0.718219458723 0.301225244939 0.413095904553} H11 686 -1 1 {} H 0.0 {0.721696237861 0.284441663532 0.413920987789} H12 687 -1 1 {} H 0.0 {0.287825495736 0.276090149564 0.415952430759} H13 688 -1 1 {} H 0.0 {0.291536171945 0.278826914361 0.432491430882} H14 689 -1 1 {} H 0.0 {0.699978276033 0.317917119085 0.400146993897} H15 690 -1 1 {} H 0.0 {0.70989977701 0.297870711918 0.385298788549} H16 691 -1 1 {} H 0.0 {0.722911823413 0.299954701364 0.37333375156} H17 692 -1 1 {} H 0.0 {0.706871374259 0.307078514559 0.370368501513} H18 693 -1 1 {} H 0.0 {0.714557389799 0.333817891948 0.367331876977} H19 694 -1 1 {} H 0.0 {0.314748417543 0.309148104561 0.429966377827} H20 695 -1 1 {} H 0.0 {0.322183799432 0.319734239175 0.418684687841} H21 696 -1 1 {} H 0.0 {0.310923613816 0.288188471333 0.398956028201} H22 697 -1 14 {} Si 0.0 {0.545835804374 0.288121818422 0.379902859389} Si1 698 -1 8 {} O 0.0 {0.556048349808 0.280260175192 0.393231983465} O1 699 -1 14 {} Si 0.0 {0.563078692938 0.724263576856 0.38744355006} Si2 700 -1 8 {} O 0.0 {0.549629713697 0.711604162992 0.386653257954} O2 701 -1 14 {} Si 0.0 {0.552612568011 0.700017175958 0.372574413074} Si3 702 -1 7 {} N 0.0 {0.567328990418 0.705549383037 0.362641900358} N1 703 -1 14 {} Si 0.0 {0.561226368536 0.717021794678 0.349288324318} Si4 704 -1 14 {} Si 0.0 {0.573532386241 0.690476287604 0.353943141126} Si5 705 -1 7 {} N 0.0 {0.561902969064 0.708078950056 0.333007122368} N2 706 -1 7 {} N 0.0 {0.572115227553 0.271942689633 0.348521636893} N3 707 -1 7 {} N 0.0 {0.543703163096 0.722203170809 0.352744062249} N4 708 -1 7 {} N 0.0 {0.578176287453 0.694948677465 0.336481813407} N5 709 -1 7 {} N 0.0 {0.588384094674 0.68366431199 0.362801289115} N6 710 -1 7 {} N 0.0 {0.559923861404 0.677757327286 0.353743543919} N7 711 -1 8 {} O 0.0 {0.537550201685 0.275086837775 0.369871908094} O3 712 -1 6 {} C 0.0 {0.556891033342 0.298491731568 0.36877424049} C1 713 -1 8 {} O 0.0 {0.533053255311 0.29895875452 0.3875505819} O4 714 -1 7 {} N 0.0 {0.537656370919 0.699435549078 0.361535090442} N8 715 -1 8 {} O 0.0 {0.555858669185 0.6831451033 0.37918355329} O5 716 -1 1 {} H 0.0 {0.573165089999 0.71991073261 0.396591629772} H1 717 -1 1 {} H 0.0 {0.568824670597 0.725938451901 0.374456078825} H2 718 -1 1 {} H 0.0 {0.565450298511 0.714989823431 0.325740307013} H3 719 -1 1 {} H 0.0 {0.551746980486 0.705749154194 0.330340146532} H4 720 -1 1 {} H 0.0 {0.577982861008 0.272061618921 0.357409448279} H5 721 -1 1 {} H 0.0 {0.565599603923 0.280487417178 0.349034307329} H6 722 -1 1 {} H 0.0 {0.537856340727 0.71939343746 0.344281160133} H7 723 -1 1 {} H 0.0 {0.543673703914 0.272822926968 0.353039482985} H8 724 -1 1 {} H 0.0 {0.586329958668 0.688716010396 0.333667074526} H9 725 -1 1 {} H 0.0 {0.581986397757 0.705005951711 0.336787674665} H10 726 -1 1 {} H 0.0 {0.596827780254 0.685268814375 0.356496176841} H11 727 -1 1 {} H 0.0 {0.586994306779 0.673007499062 0.36339707104} H12 728 -1 1 {} H 0.0 {0.564495540928 0.668176639206 0.354010225698} H13 729 -1 1 {} H 0.0 {0.555052305577 0.678588179425 0.34418282158} H14 730 -1 1 {} H 0.0 {0.52718096703 0.275488176379 0.371500147562} H15 731 -1 1 {} H 0.0 {0.559700347064 0.292675731665 0.360000952865} H16 732 -1 1 {} H 0.0 {0.565861312298 0.30138845271 0.37424025208} H17 733 -1 1 {} H 0.0 {0.55150760351 0.307439145707 0.365626396312} H18 734 -1 1 {} H 0.0 {0.536238187298 0.308952471506 0.387130201423} H19 735 -1 1 {} H 0.0 {0.537649798718 0.689903778477 0.356743278059} H20 736 -1 1 {} H 0.0 {0.539254356117 0.70669957944 0.353808106603} H21 737 -1 1 {} H 0.0 {0.548389590698 0.680604570041 0.386100850867} H22 738 -1 14 {} Si 0.0 {0.355221880686 0.347194645964 0.395899165342} Si1 739 -1 8 {} O 0.0 {0.362088819024 0.332682728548 0.405010671221} O1 740 -1 14 {} Si 0.0 {0.380591321768 0.333112934622 0.4055278688} Si2 741 -1 8 {} O 0.0 {0.387529897061 0.343586104625 0.391443195801} O2 742 -1 14 {} Si 0.0 {0.404339062349 0.336875454659 0.385684079607} Si3 743 -1 7 {} N 0.0 {0.41530780666 0.33239323059 0.400507453174} N1 744 -1 14 {} Si 0.0 {0.430642764494 0.34307219169 0.400267963873} Si4 745 -1 14 {} Si 0.0 {0.422245648845 0.314698212244 0.399330312778} Si5 746 -1 7 {} N 0.0 {0.44186816317 0.337356606719 0.386546667694} N2 747 -1 7 {} N 0.0 {0.439515251373 0.341051352815 0.416505054486} N3 748 -1 7 {} N 0.0 {0.426341663203 0.360935697754 0.39776202019} N4 749 -1 7 {} N 0.0 {0.424134890313 0.307988678657 0.416647593636} N5 750 -1 7 {} N 0.0 {0.411608553225 0.303066824856 0.389383789244} N6 751 -1 7 {} N 0.0 {0.439084001592 0.315377551435 0.391568618868} N7 752 -1 8 {} O 0.0 {0.342984128034 0.341265938137 0.383512027973} O3 753 -1 6 {} C 0.0 {0.368943532923 0.35649461933 0.387094941873} C1 754 -1 8 {} O 0.0 {0.346823703895 0.358481563003 0.407779121748} O4 755 -1 7 {} N 0.0 {0.412713481055 0.350148205253 0.375739414914} N8 756 -1 8 {} O 0.0 {0.401787220599 0.322099385379 0.375039815095} O5 757 -1 1 {} H 0.0 {0.385607796447 0.319735359664 0.404380401604} H1 758 -1 1 {} H 0.0 {0.38482979211 0.338587741674 0.418048915682} H2 759 -1 1 {} H 0.0 {0.450527492464 0.333094661792 0.391114942694} H3 760 -1 1 {} H 0.0 {0.44517830669 0.346178079527 0.381371938333} H4 761 -1 1 {} H 0.0 {0.432086221469 0.340604349081 0.424132430334} H5 762 -1 1 {} H 0.0 {0.44506785641 0.35010129211 0.418157352377} H6 763 -1 1 {} H 0.0 {0.433201066492 0.364813716733 0.390548633683} H7 764 -1 1 {} H 0.0 {0.428547341324 0.365938189753 0.407038146683} H8 765 -1 1 {} H 0.0 {0.427450307458 0.297956428161 0.415818079894} H9 766 -1 1 {} H 0.0 {0.414276102049 0.307644626847 0.4210000388} H10 767 -1 1 {} H 0.0 {0.408775845137 0.308043922112 0.380418664842} H11 768 -1 1 {} H 0.0 {0.402645166456 0.30132288133 0.395100990353} H12 769 -1 1 {} H 0.0 {0.439691568245 0.307281592082 0.384672111445} H13 770 -1 1 {} H 0.0 {0.446158711375 0.313252600254 0.399407038219} H14 771 -1 1 {} H 0.0 {0.347929125703 0.339001487915 0.374535710391} H15 772 -1 1 {} H 0.0 {0.372405483418 0.350659854482 0.37857580038} H16 773 -1 1 {} H 0.0 {0.377207272337 0.358152121271 0.393975246731} H17 774 -1 1 {} H 0.0 {0.36512561505 0.366104883828 0.383600835365} H18 775 -1 1 {} H 0.0 {0.351830235791 0.3582096419 0.416998664731} H19 776 -1 1 {} H 0.0 {0.415319230266 0.357970042659 0.382503090437} H20 777 -1 1 {} H 0.0 {0.405235642116 0.354206264673 0.369129267609} H21 778 -1 1 {} H 0.0 {0.406389579319 0.323678732588 0.365730030166} H22 779 -1 14 {} Si 0.0 {0.649266651541 0.377625155403 0.322218541239} Si1 780 -1 8 {} O 0.0 {0.660028495548 0.363814828336 0.327849563001} O1 781 -1 14 {} Si 0.0 {0.677364893243 0.366953601955 0.322481396127} Si2 782 -1 8 {} O 0.0 {0.680894423973 0.357258445464 0.307239281427} O2 783 -1 14 {} Si 0.0 {0.695210682014 0.36458581935 0.298176108042} Si3 784 -1 7 {} N 0.0 {0.709642894895 0.367003587174 0.30971333456} N1 785 -1 14 {} Si 0.0 {0.722613325511 0.354401871022 0.305373941129} Si4 786 -1 14 {} Si 0.0 {0.703975428138 0.363283796273 0.327071571551} Si5 787 -1 7 {} N 0.0 {0.279272724994 0.361525298679 0.30889373271} N2 788 -1 7 {} N 0.0 {0.721427762489 0.350013199133 0.287321344045} N3 789 -1 7 {} N 0.0 {0.720080448036 0.339129623145 0.315666574548} N4 790 -1 7 {} N 0.0 {0.718859051296 0.360617539311 0.337886611085} N5 791 -1 7 {} N 0.0 {0.694129587781 0.37764571831 0.333614360969} N6 792 -1 7 {} N 0.0 {0.693453454947 0.347937265 0.327160681408} N7 793 -1 8 {} O 0.0 {0.657607105369 0.393655698245 0.325635228384} O3 794 -1 6 {} C 0.0 {0.632886095267 0.376998708604 0.331440119515} C1 795 -1 8 {} O 0.0 {0.646202524141 0.376020186179 0.304147365376} O4 796 -1 7 {} N 0.0 {0.690368906032 0.381050808514 0.291016522504} N8 797 -1 8 {} O 0.0 {0.700131866377 0.353268311592 0.284531395501} O5 798 -1 1 {} H 0.0 {0.686312989733 0.362916454967 0.332855125293} H1 799 -1 1 {} H 0.0 {0.679098198063 0.380897108354 0.319814118163} H2 800 -1 1 {} H 0.0 {0.282384294912 0.357743782233 0.318348893284} H3 801 -1 1 {} H 0.0 {0.277911441098 0.372133059948 0.310135668966} H4 802 -1 1 {} H 0.0 {0.716468171382 0.358056613905 0.282415028324} H5 803 -1 1 {} H 0.0 {0.714892231483 0.341488399439 0.286629975226} H6 804 -1 1 {} H 0.0 {0.729396014646 0.33687835029 0.320318984155} H7 805 -1 1 {} H 0.0 {0.718056463022 0.331088441843 0.3088122304} H8 806 -1 1 {} H 0.0 {0.715557869688 0.361153927166 0.347998577242} H9 807 -1 1 {} H 0.0 {0.725348109082 0.369063639701 0.336329411703} H10 808 -1 1 {} H 0.0 {0.700128081744 0.386373227836 0.33245727304} H11 809 -1 1 {} H 0.0 {0.693038691718 0.376063646538 0.344207642101} H12 810 -1 1 {} H 0.0 {0.694180456007 0.343673497511 0.336914562342} H13 811 -1 1 {} H 0.0 {0.698103411998 0.34096293265 0.320425432545} H14 812 -1 1 {} H 0.0 {0.654346269431 0.397372763453 0.334896018291} H15 813 -1 1 {} H 0.0 {0.62986174756 0.387110576752 0.334167597028} H16 814 -1 1 {} H 0.0 {0.634017309582 0.370988935896 0.340464173086} H17 815 -1 1 {} H 0.0 {0.625277696587 0.372538767797 0.325037555328} H18 816 -1 1 {} H 0.0 {0.637991371745 0.381982232165 0.301459110201} H19 817 -1 1 {} H 0.0 {0.698414011941 0.384254532795 0.284774460574} H20 818 -1 1 {} H 0.0 {0.689944096225 0.387980792682 0.299234960981} H21 819 -1 1 {} H 0.0 {0.691908859589 0.347346032477 0.281773430605} H22 820 -1 14 {} Si 0.0 {0.627615639397 0.430370642482 0.388799418344} Si1 821 -1 8 {} O 0.0 {0.627586866235 0.443808426343 0.401302015308} O1 822 -1 14 {} Si 0.0 {0.630609588294 0.43650620944 0.41777800842} Si2 823 -1 8 {} O 0.0 {0.617942500935 0.423656259522 0.420821693892} O2 824 -1 14 {} Si 0.0 {0.601730190064 0.431128201161 0.417550855408} Si3 825 -1 7 {} N 0.0 {0.598316048968 0.444876511917 0.43059785194} N1 826 -1 14 {} Si 0.0 {0.583110624198 0.441176203209 0.441978481052} Si4 827 -1 14 {} Si 0.0 {0.595493545791 0.460922905575 0.420850808413} Si5 828 -1 7 {} N 0.0 {0.586353060662 0.448699424478 0.458683316411} N2 829 -1 7 {} N 0.0 {0.580873339374 0.422863064974 0.444331441935} N3 830 -1 7 {} N 0.0 {0.567045890902 0.448565331242 0.435450752367} N4 831 -1 7 {} N 0.0 {0.598303118525 0.457563077909 0.402775852969} N5 832 -1 7 {} N 0.0 {0.578235030109 0.467068546865 0.422948792815} N6 833 -1 7 {} N 0.0 {0.607452410889 0.473953127688 0.426635289449} N7 834 -1 8 {} O 0.0 {0.63726587925 0.435897617874 0.37407306574} O3 835 -1 6 {} C 0.0 {0.609922064119 0.426352604956 0.383718416868} C1 836 -1 8 {} O 0.0 {0.635388591283 0.415342975088 0.396070006135} O4 837 -1 7 {} N 0.0 {0.588441102847 0.417699960992 0.417852717245} N8 838 -1 8 {} O 0.0 {0.602078168658 0.438784979428 0.400828564379} O5 839 -1 1 {} H 0.0 {0.629582120502 0.446674364525 0.427786717422} H1 840 -1 1 {} H 0.0 {0.643624530158 0.430634005349 0.418182937483} H2 841 -1 1 {} H 0.0 {0.578713306839 0.44518306679 0.465260291227} H3 842 -1 1 {} H 0.0 {0.584831716388 0.45930001314 0.457639716529} H4 843 -1 1 {} H 0.0 {0.589771047827 0.418134931215 0.441197739707} H5 844 -1 1 {} H 0.0 {0.573113614565 0.419758740128 0.437561055628} H6 845 -1 1 {} H 0.0 {0.563571387516 0.455481777974 0.442850337058} H7 846 -1 1 {} H 0.0 {0.559721096223 0.440604777124 0.435282939149} H8 847 -1 1 {} H 0.0 {0.59603298374 0.466544561056 0.397498955039} H9 848 -1 1 {} H 0.0 {0.590888292644 0.450363025194 0.399818188791} H10 849 -1 1 {} H 0.0 {0.572252854626 0.462247143678 0.415569751879} H11 850 -1 1 {} H 0.0 {0.578368143023 0.477539855248 0.420415963468} H12 851 -1 1 {} H 0.0 {0.603581907877 0.483395301468 0.423535001788} H13 852 -1 1 {} H 0.0 {0.616575461449 0.472433348129 0.42113082501} H14 853 -1 1 {} H 0.0 {0.633173812169 0.444806689436 0.370346254769} H15 854 -1 1 {} H 0.0 {0.605120341684 0.435324154559 0.379832326088} H16 855 -1 1 {} H 0.0 {0.604388432728 0.422726107919 0.392388419719} H17 856 -1 1 {} H 0.0 {0.610005206375 0.418648769352 0.376009037851} H18 857 -1 1 {} H 0.0 {0.629168057815 0.411501670072 0.403633817829} H19 858 -1 1 {} H 0.0 {0.582225688088 0.419479122055 0.426286239289} H20 859 -1 1 {} H 0.0 {0.593468558538 0.408379558156 0.419646619975} H21 860 -1 1 {} H 0.0 {0.594046808341 0.435126776306 0.395139513602} H22 861 -1 14 {} Si 0.0 {0.701911219527 0.665723232616 0.644818181047} Si1 862 -1 8 {} O 0.0 {0.718069554783 0.668930949597 0.636481542101} O1 863 -1 14 {} Si 0.0 {0.715475306787 0.6768918768 0.620003425724} Si2 864 -1 8 {} O 0.0 {0.698531226757 0.684017908186 0.618958196548} O2 865 -1 14 {} Si 0.0 {0.698625869019 0.701464553724 0.625010370183} Si3 866 -1 7 {} N 0.0 {0.709756041974 0.71188603675 0.614279410567} N1 867 -1 14 {} Si 0.0 {0.718643322303 0.723774715192 0.625419069381} Si4 868 -1 14 {} Si 0.0 {0.69896694994 0.722376081797 0.603448210445} Si5 869 -1 7 {} N 0.0 {0.730313460937 0.714530813956 0.636562378221} N2 870 -1 7 {} N 0.0 {0.706284495623 0.272968456886 0.635659945836} N3 871 -1 7 {} N 0.0 {0.728134499005 0.275688871177 0.61494269227} N4 872 -1 7 {} N 0.0 {0.683626817613 0.713012276387 0.598803867687} N5 873 -1 7 {} N 0.0 {0.694319692303 0.277633166127 0.612801611092} N6 874 -1 7 {} N 0.0 {0.708307547188 0.266975847375 0.588072346375} N7 875 -1 8 {} O 0.0 {0.694553300138 0.650167442739 0.63828351932} O3 876 -1 6 {} C 0.0 {0.690138839608 0.680031363545 0.641715547402} C1 877 -1 8 {} O 0.0 {0.704693951057 0.663999174213 0.662930079808} O4 878 -1 7 {} N 0.0 {0.704785961192 0.701899287719 0.642533564728} N8 879 -1 8 {} O 0.0 {0.681521706577 0.7081939182 0.624381239143} O5 880 -1 1 {} H 0.0 {0.717134619746 0.667103982841 0.609698447166} H1 881 -1 1 {} H 0.0 {0.725107546401 0.687300378295 0.618227294435} H2 882 -1 1 {} H 0.0 {0.727874082582 0.717197039488 0.646593258588} H3 883 -1 1 {} H 0.0 {0.280025317602 0.71845168093 0.634666938929} H4 884 -1 1 {} H 0.0 {0.696993857164 0.267842369989 0.634825877379} H5 885 -1 1 {} H 0.0 {0.704945356486 0.282532765801 0.630893078202} H6 886 -1 1 {} H 0.0 {0.274926835197 0.270075683043 0.609149130523} H7 887 -1 1 {} H 0.0 {0.273792905235 0.281710551661 0.621658479735} H8 888 -1 1 {} H 0.0 {0.679959634258 0.717281524926 0.589751372421} H9 889 -1 1 {} H 0.0 {0.67630399485 0.715157786457 0.606381408555} H10 890 -1 1 {} H 0.0 {0.685792046624 0.275280694266 0.618725694247} H11 891 -1 1 {} H 0.0 {0.691105981776 0.284840057833 0.605509761735} H12 892 -1 1 {} H 0.0 {0.701115203674 0.269847336561 0.580760608125} H13 893 -1 1 {} H 0.0 {0.712976580221 0.718141801712 0.584416338876} H14 894 -1 1 {} H 0.0 {0.686070815189 0.652459534131 0.63253980389} H15 895 -1 1 {} H 0.0 {0.688705091422 0.681305926145 0.631020560421} H16 896 -1 1 {} H 0.0 {0.694324411399 0.689146246665 0.645942841248} H17 897 -1 1 {} H 0.0 {0.680546260101 0.67791825209 0.646431205145} H18 898 -1 1 {} H 0.0 {0.699268428453 0.671416198221 0.668015958317} H19 899 -1 1 {} H 0.0 {0.701832473856 0.711253620677 0.646682609003} H20 900 -1 1 {} H 0.0 {0.715527934128 0.702026816614 0.642023636691} H21 901 -1 1 {} H 0.0 {0.674669729814 0.700481522264 0.626335439112} H22 902 -1 14 {} Si 0.0 {0.28439668698 0.286708197769 0.546497327126} Si1 903 -1 8 {} O 0.0 {0.291507282436 0.289683055462 0.52966595268} O1 904 -1 14 {} Si 0.0 {0.294727443974 0.273714057287 0.520980001827} Si2 905 -1 8 {} O 0.0 {0.278940598762 0.267067092738 0.513598801985} O2 906 -1 14 {} Si 0.0 {0.724989038738 0.268493050958 0.525526543556} Si3 907 -1 7 {} N 0.0 {0.70981811557 0.720742109944 0.518340137959} N1 908 -1 14 {} Si 0.0 {0.698501214975 0.716955828705 0.532701155997} Si4 909 -1 14 {} Si 0.0 {0.715103162846 0.704579540847 0.510628909355} Si5 910 -1 7 {} N 0.0 {0.694179257677 0.272715605334 0.541361874826} N2 911 -1 7 {} N 0.0 {0.70709080427 0.705592980265 0.544677202399} N3 912 -1 7 {} N 0.0 {0.682930075169 0.708888434361 0.526570418568} N4 913 -1 7 {} N 0.0 {0.714251359087 0.706057072833 0.492118068609} N5 914 -1 7 {} N 0.0 {0.272455501832 0.700684139414 0.515620922297} N6 915 -1 7 {} N 0.0 {0.703852497741 0.690904361933 0.516268103714} N7 916 -1 8 {} O 0.0 {0.287994361043 0.301203754983 0.557237817447} O3 917 -1 6 {} C 0.0 {0.291897464567 0.271158094306 0.554253364295} C1 918 -1 8 {} O 0.0 {0.726308221598 0.284621467698 0.54509656815} O4 919 -1 7 {} N 0.0 {0.721512394087 0.286442542975 0.528845950218} N8 920 -1 8 {} O 0.0 {0.729194951999 0.72003983607 0.541258568085} O5 921 -1 1 {} H 0.0 {0.30014484034 0.72442042556 0.530233425963} H1 922 -1 1 {} H 0.0 {0.304209560574 0.275930962717 0.51049856804} H2 923 -1 1 {} H 0.0 {0.696464663188 0.271418193308 0.551686506971} H3 924 -1 1 {} H 0.0 {0.68349549722 0.273788302342 0.540698301588} H4 925 -1 1 {} H 0.0 {0.713114655368 0.698934332548 0.538968171349} H5 926 -1 1 {} H 0.0 {0.699423324162 0.699603675033 0.549291541813} H6 927 -1 1 {} H 0.0 {0.676199816966 0.716695593674 0.52385599031} H7 928 -1 1 {} H 0.0 {0.67853481331 0.703871352892 0.535027029602} H8 929 -1 1 {} H 0.0 {0.711094768412 0.696615813313 0.48833536219} H9 930 -1 1 {} H 0.0 {0.724349154291 0.707515497255 0.488677399472} H10 931 -1 1 {} H 0.0 {0.278365049969 0.700832401116 0.506757454} H11 932 -1 1 {} H 0.0 {0.272466812767 0.690514177923 0.51913271792} H12 933 -1 1 {} H 0.0 {0.709031606622 0.681713961223 0.514693332652} H13 934 -1 1 {} H 0.0 {0.69545026713 0.690864088878 0.509550879971} H14 935 -1 1 {} H 0.0 {0.29544413657 0.307093284503 0.55275981644} H15 936 -1 1 {} H 0.0 {0.30227209289 0.273034746326 0.556917788699} H16 937 -1 1 {} H 0.0 {0.291434381049 0.723071650905 0.547218573443} H17 938 -1 1 {} H 0.0 {0.286275421381 0.268529161061 0.563210043201} H18 939 -1 1 {} H 0.0 {0.721688898287 0.288472810766 0.553687237132} H19 940 -1 1 {} H 0.0 {0.712070874005 0.288688522855 0.524426339027} H20 941 -1 1 {} H 0.0 {0.728864497748 0.292068546227 0.523369071636} H21 942 -1 1 {} H 0.0 {0.721291206822 0.72120604253 0.548086452785} H22 943 -1 14 {} Si 0.0 {0.533457204775 0.615777403015 0.377580252767} Si1 944 -1 8 {} O 0.0 {0.54441144159 0.60200339471 0.372021229021} O1 945 -1 14 {} Si 0.0 {0.559925070024 0.608741414481 0.364730819444} Si2 946 -1 8 {} O 0.0 {0.572830080846 0.595519321984 0.364540028426} O2 947 -1 14 {} Si 0.0 {0.573879734124 0.587946842954 0.347727362935} Si3 948 -1 7 {} N 0.0 {0.567993470542 0.570256533567 0.348415593403} N1 949 -1 14 {} Si 0.0 {0.565129841785 0.56446192008 0.330884417248} Si4 950 -1 14 {} Si 0.0 {0.551560654434 0.570064795987 0.357172723283} Si5 951 -1 7 {} N 0.0 {0.556254719142 0.577780396347 0.32130237527} N2 952 -1 7 {} N 0.0 {0.554875935477 0.548700720304 0.331105237965} N3 953 -1 7 {} N 0.0 {0.581536083534 0.561068147102 0.322831033507} N4 954 -1 7 {} N 0.0 {0.540795027313 0.583773633356 0.350697112418} N5 955 -1 7 {} N 0.0 {0.543258865051 0.553747142748 0.35422579362} N6 956 -1 7 {} N 0.0 {0.554222222394 0.57235835707 0.375421118231} N7 957 -1 8 {} O 0.0 {0.529217699481 0.613358511943 0.395284292884} O3 958 -1 6 {} C 0.0 {0.517694227653 0.615729195406 0.367350510939} C1 959 -1 8 {} O 0.0 {0.542046070664 0.63193050815 0.375532586178} O4 960 -1 7 {} N 0.0 {0.591553499367 0.588212316852 0.341926268406} N8 961 -1 8 {} O 0.0 {0.563444350154 0.597537538562 0.336006587441} O5 962 -1 1 {} H 0.0 {0.564513645925 0.619765970439 0.372613441554} H1 963 -1 1 {} H 0.0 {0.557390612818 0.613162473409 0.351375295269} H2 964 -1 1 {} H 0.0 {0.563602602401 0.58311384223 0.315756205971} H3 965 -1 1 {} H 0.0 {0.552297286466 0.58468851063 0.328546233181} H4 966 -1 1 {} H 0.0 {0.561550310701 0.54061521257 0.332919718697} H5 967 -1 1 {} H 0.0 {0.550955521982 0.547218793527 0.321112353609} H6 968 -1 1 {} H 0.0 {0.586402293086 0.553554335454 0.328605890315} H7 969 -1 1 {} H 0.0 {0.587404580817 0.570024321229 0.323896631665} H8 970 -1 1 {} H 0.0 {0.535267546542 0.58761378712 0.35896635355} H9 971 -1 1 {} H 0.0 {0.53363096579 0.579210137885 0.344089242128} H10 972 -1 1 {} H 0.0 {0.543132628165 0.552140864826 0.343698789929} H11 973 -1 1 {} H 0.0 {0.533016448943 0.554916734664 0.357294195036} H12 974 -1 1 {} H 0.0 {0.551658343456 0.563156584437 0.380158806782} H13 975 -1 1 {} H 0.0 {0.546984722314 0.579606228617 0.37870406639} H14 976 -1 1 {} H 0.0 {0.533253821325 0.604260724099 0.398604448186} H15 977 -1 1 {} H 0.0 {0.51590538783 0.605694733831 0.363482320252} H16 978 -1 1 {} H 0.0 {0.518731632193 0.622697521482 0.359032232988} H17 979 -1 1 {} H 0.0 {0.509299362955 0.618761773982 0.373610448369} H18 980 -1 1 {} H 0.0 {0.551002034631 0.630492368062 0.370305756972} H19 981 -1 1 {} H 0.0 {0.594594922414 0.578069955781 0.340621638543} H20 982 -1 1 {} H 0.0 {0.597413242317 0.592135135683 0.350049648212} H21 983 -1 1 {} H 0.0 {0.565395211818 0.607792867156 0.33719850594} H22 984 -1 14 {} Si 0.0 {0.629752216141 0.702786736063 0.376668056573} Si1 985 -1 8 {} O 0.0 {0.641498649577 0.703343491393 0.390938636449} O1 986 -1 14 {} Si 0.0 {0.649402305992 0.68684433649 0.393566283164} Si2 987 -1 8 {} O 0.0 {0.662492633629 0.68428032938 0.380886378301} O2 988 -1 14 {} Si 0.0 {0.675781472937 0.696544282761 0.383953002655} Si3 989 -1 7 {} N 0.0 {0.686184742643 0.698766219399 0.368823368786} N1 990 -1 14 {} Si 0.0 {0.691544231979 0.681712661474 0.363863680696} Si4 991 -1 14 {} Si 0.0 {0.701442535572 0.707963007376 0.374339662705} Si5 992 -1 7 {} N 0.0 {0.685655277036 0.678021044127 0.346662793939} N2 993 -1 7 {} N 0.0 {0.684169614225 0.66944126531 0.375710292409} N3 994 -1 7 {} N 0.0 {0.710067332888 0.680556882084 0.36447858508} N4 995 -1 7 {} N 0.0 {0.699528481157 0.712802426152 0.39217174563} N5 996 -1 7 {} N 0.0 {0.716302512538 0.69690506684 0.372619694343} N6 997 -1 7 {} N 0.0 {0.703708851779 0.723319449568 0.364030543643} N7 998 -1 8 {} O 0.0 {0.624591286954 0.685456146957 0.373442499726} O3 999 -1 6 {} C 0.0 {0.638050877339 0.709805297594 0.361314986138} C1 1000 -1 8 {} O 0.0 {0.614895963613 0.71286099293 0.3806777286} O4 1001 -1 7 {} N 0.0 {0.68675652957 0.69045422151 0.397713744885} N8 1002 -1 8 {} O 0.0 {0.668028359958 0.712563622684 0.388588259056} O5 1003 -1 1 {} H 0.0 {0.639595741461 0.676514860839 0.392643293542} H1 1004 -1 1 {} H 0.0 {0.655345867353 0.686506880878 0.406560240992} H2 1005 -1 1 {} H 0.0 {0.676413820748 0.672795420091 0.34755109231} H3 1006 -1 1 {} H 0.0 {0.692703005051 0.671081878336 0.342425898036} H4 1007 -1 1 {} H 0.0 {0.678972630905 0.675015633394 0.383179426236} H5 1008 -1 1 {} H 0.0 {0.692394529317 0.664623197908 0.380674366632} H6 1009 -1 1 {} H 0.0 {0.713800053961 0.684707064783 0.355414911971} H7 1010 -1 1 {} H 0.0 {0.712509777392 0.670085517904 0.364298701039} H8 1011 -1 1 {} H 0.0 {0.707667332529 0.719240121751 0.394585263333} H9 1012 -1 1 {} H 0.0 {0.700903114971 0.703835889778 0.397950647816} H10 1013 -1 1 {} H 0.0 {0.714124705117 0.687906674589 0.377880521719} H11 1014 -1 1 {} H 0.0 {0.724338941502 0.701656213799 0.377965165794} H12 1015 -1 1 {} H 0.0 {0.709365996533 0.720594154535 0.355467937297} H13 1016 -1 1 {} H 0.0 {0.709899642049 0.269871816777 0.369768666306} H14 1017 -1 1 {} H 0.0 {0.615259424371 0.685431511895 0.368651090109} H15 1018 -1 1 {} H 0.0 {0.64793030297 0.705369611258 0.360168518104} H16 1019 -1 1 {} H 0.0 {0.63901248378 0.72061450914 0.362321056794} H17 1020 -1 1 {} H 0.0 {0.631994246911 0.707503599871 0.352542565762} H18 1021 -1 1 {} H 0.0 {0.613497273722 0.720121939451 0.373236955872} H19 1022 -1 1 {} H 0.0 {0.682933082438 0.681047017074 0.40089357377} H20 1023 -1 1 {} H 0.0 {0.685521599367 0.697217661512 0.405933345398} H21 1024 -1 1 {} H 0.0 {0.657881353246 0.712433646001 0.385900326595} H22 1025 -1 14 {} Si 0.0 {0.703191234509 0.407017632137 0.689253761925} Si1 1026 -1 8 {} O 0.0 {0.703550454695 0.425279274221 0.693352910812} O1 1027 -1 14 {} Si 0.0 {0.719393002527 0.429065848446 0.702494545843} Si2 1028 -1 8 {} O 0.0 {0.71660593674 0.427833362106 0.260611541713} O2 1029 -1 14 {} Si 0.0 {0.715152285413 0.444743821664 0.267902333733} Si3 1030 -1 7 {} N 0.0 {0.729653271415 0.45507615262 0.262526422083} N1 1031 -1 14 {} Si 0.0 {0.283496645683 0.443680776331 0.258979904196} Si4 1032 -1 14 {} Si 0.0 {0.275162423077 0.465241255448 0.276977076336} Si5 1033 -1 7 {} N 0.0 {0.299137315663 0.452197354355 0.264085575527} N2 1034 -1 7 {} N 0.0 {0.284157007431 0.439802476289 0.700995321926} N3 1035 -1 7 {} N 0.0 {0.281322330265 0.42802657886 0.268760021819} N4 1036 -1 7 {} N 0.0 {0.289250337347 0.476049958525 0.271481546951} N5 1037 -1 7 {} N 0.0 {0.721363325407 0.475784587811 0.283210886107} N6 1038 -1 7 {} N 0.0 {0.281062391918 0.453948397105 0.290546555504} N7 1039 -1 8 {} O 0.0 {0.717617845769 0.402825458551 0.678591287567} O3 1040 -1 6 {} C 0.0 {0.687327866882 0.402816842899 0.68008202599} C1 1041 -1 8 {} O 0.0 {0.704135756252 0.397130125974 0.704788736934} O4 1042 -1 7 {} N 0.0 {0.714863646891 0.44353299366 0.286454007739} N8 1043 -1 8 {} O 0.0 {0.699561946017 0.452610686549 0.262049365655} O5 1044 -1 1 {} H 0.0 {0.723802995427 0.442235973275 0.699213915594} H1 1045 -1 1 {} H 0.0 {0.729412759822 0.419586293223 0.698660904603} H2 1046 -1 1 {} H 0.0 {0.307203703582 0.446521007007 0.260323514724} H3 1047 -1 1 {} H 0.0 {0.299610017098 0.451572480466 0.274821386475} H4 1048 -1 1 {} H 0.0 {0.2782606446 0.44710372022 0.695983779672} H5 1049 -1 1 {} H 0.0 {0.279170829901 0.43040572887 0.69968042507} H6 1050 -1 1 {} H 0.0 {0.289745526159 0.421914332183 0.266811069005} H7 1051 -1 1 {} H 0.0 {0.272817637311 0.422928008291 0.264608970247} H8 1052 -1 1 {} H 0.0 {0.289472985495 0.484499272666 0.277924073492} H9 1053 -1 1 {} H 0.0 {0.286681091139 0.479708101537 0.261687529529} H10 1054 -1 1 {} H 0.0 {0.717994465906 0.481704455268 0.275033185819} H11 1055 -1 1 {} H 0.0 {0.725641999876 0.482592846322 0.290366281634} H12 1056 -1 1 {} H 0.0 {0.278321838675 0.458425521677 0.299808296512} H13 1057 -1 1 {} H 0.0 {0.291827173494 0.454034397076 0.290171131713} H14 1058 -1 1 {} H 0.0 {0.719806428848 0.392581384766 0.679544859219} H15 1059 -1 1 {} H 0.0 {0.688100113352 0.392760713227 0.675919059593} H16 1060 -1 1 {} H 0.0 {0.685797506191 0.409972354845 0.672011345979} H17 1061 -1 1 {} H 0.0 {0.678910702928 0.403252610508 0.686979614416} H18 1062 -1 1 {} H 0.0 {0.706807625152 0.387239017396 0.702475743898} H19 1063 -1 1 {} H 0.0 {0.706529212849 0.449241999374 0.289859950002} H20 1064 -1 1 {} H 0.0 {0.723672053969 0.448565076031 0.29000976293} H21 1065 -1 1 {} H 0.0 {0.692899405914 0.453584490243 0.27010364414} H22 1066 -1 14 {} Si 0.0 {0.420287057993 0.676839374689 0.672323721267} Si1 1067 -1 8 {} O 0.0 {0.43859208218 0.677382379633 0.670916560053} O1 1068 -1 14 {} Si 0.0 {0.443988530191 0.694670097984 0.667576423556} Si2 1069 -1 8 {} O 0.0 {0.460062652352 0.697673066166 0.675993409056} O2 1070 -1 14 {} Si 0.0 {0.471060942861 0.683569985115 0.672179417779} Si3 1071 -1 7 {} N 0.0 {0.462112819912 0.667749994209 0.676044100769} N1 1072 -1 14 {} Si 0.0 {0.471078342644 0.658962439531 0.689828473311} Si4 1073 -1 14 {} Si 0.0 {0.464037393118 0.657484221192 0.661004158905} Si5 1074 -1 7 {} N 0.0 {0.4589108108 0.648957962097 0.699729248202} N2 1075 -1 7 {} N 0.0 {0.479315735758 0.671299054886 0.70101126868} N3 1076 -1 7 {} N 0.0 {0.483833417172 0.647604077686 0.682480496363} N4 1077 -1 7 {} N 0.0 {0.475021483865 0.643000746117 0.664915901971} N5 1078 -1 7 {} N 0.0 {0.447374444863 0.651622715104 0.65519668085} N6 1079 -1 7 {} N 0.0 {0.471922867262 0.668032677681 0.647901502221} N7 1080 -1 8 {} O 0.0 {0.415411152392 0.663367466048 0.683872851564} O3 1081 -1 6 {} C 0.0 {0.412814222094 0.67359936204 0.655388704531} C1 1082 -1 8 {} O 0.0 {0.414181766011 0.692949213166 0.678745659386} O4 1083 -1 7 {} N 0.0 {0.486798973774 0.684635782273 0.681904921045} N8 1084 -1 8 {} O 0.0 {0.475100768355 0.683861911948 0.654227371172} O5 1085 -1 1 {} H 0.0 {0.434177538575 0.703808038063 0.67249975317} H1 1086 -1 1 {} H 0.0 {0.445583767794 0.69648763332 0.653469971681} H2 1087 -1 1 {} H 0.0 {0.462522753719 0.648623086765 0.249628240303} H3 1088 -1 1 {} H 0.0 {0.459399581147 0.638890499742 0.695967061828} H4 1089 -1 1 {} H 0.0 {0.477061050215 0.680971298483 0.697244375564} H5 1090 -1 1 {} H 0.0 {0.489936436806 0.66991981915 0.699869408723} H6 1091 -1 1 {} H 0.0 {0.481584582277 0.637738735056 0.685826784408} H7 1092 -1 1 {} H 0.0 {0.493255817192 0.65026577158 0.686892988788} H8 1093 -1 1 {} H 0.0 {0.475293984565 0.63679732014 0.65631989467} H9 1094 -1 1 {} H 0.0 {0.470072289288 0.637368820128 0.672626351862} H10 1095 -1 1 {} H 0.0 {0.446670093462 0.641239221669 0.657471148621} H11 1096 -1 1 {} H 0.0 {0.447407705406 0.652433141262 0.644471965739} H12 1097 -1 1 {} H 0.0 {0.464409324671 0.670382900659 0.640764199277} H13 1098 -1 1 {} H 0.0 {0.479131953802 0.661909478929 0.642904213302} H14 1099 -1 1 {} H 0.0 {0.405505501276 0.660497692575 0.681901024161} H15 1100 -1 1 {} H 0.0 {0.412401948239 0.662855838287 0.653593487624} H16 1101 -1 1 {} H 0.0 {0.418972702628 0.678328081669 0.647737858574} H17 1102 -1 1 {} H 0.0 {0.40274060095 0.677736361399 0.655014630948} H18 1103 -1 1 {} H 0.0 {0.41382082551 0.699912156964 0.670897577995} H19 1104 -1 1 {} H 0.0 {0.488470460034 0.675067470625 0.686206843018} H20 1105 -1 1 {} H 0.0 {0.484984951944 0.691416337882 0.690020128032} H21 1106 -1 1 {} H 0.0 {0.469603353774 0.691471523495 0.649530553367} H22 1107 -1 14 {} Si 0.0 {0.529804487117 0.39638063973 0.293244732843} Si1 1108 -1 8 {} O 0.0 {0.538549945615 0.406666087902 0.305688074559} O1 1109 -1 14 {} Si 0.0 {0.536865118273 0.424327598233 0.301008961411} Si2 1110 -1 8 {} O 0.0 {0.519422242548 0.429557118734 0.303365352228} O2 1111 -1 14 {} Si 0.0 {0.510873946649 0.417568969274 0.314409552606} Si3 1112 -1 7 {} N 0.0 {0.50448720501 0.426575167339 0.329339207296} N1 1113 -1 14 {} Si 0.0 {0.487689137363 0.419783297913 0.333013729953} Si4 1114 -1 14 {} Si 0.0 {0.501764174526 0.444177701549 0.324306143508} Si5 1115 -1 7 {} N 0.0 {0.478502501117 0.417227207128 0.317072478449} N2 1116 -1 7 {} N 0.0 {0.478456166069 0.432070717923 0.343419515022} N3 1117 -1 7 {} N 0.0 {0.489230636007 0.403613550817 0.342082581239} N4 1118 -1 7 {} N 0.0 {0.499192757685 0.444903555362 0.305924746178} N5 1119 -1 7 {} N 0.0 {0.486623052575 0.450665653253 0.332937499282} N6 1120 -1 7 {} N 0.0 {0.516483690453 0.454476869449 0.328980988966} N7 1121 -1 8 {} O 0.0 {0.512280303207 0.394078543604 0.298376742098} O3 1122 -1 6 {} C 0.0 {0.538231243849 0.379652870576 0.291931612069} C1 1123 -1 8 {} O 0.0 {0.530335601966 0.404848223633 0.27691750784} O4 1124 -1 7 {} N 0.0 {0.522790170244 0.404261739173 0.319676425533} N8 1125 -1 8 {} O 0.0 {0.496772487961 0.409922441494 0.305415933082} O5 1126 -1 1 {} H 0.0 {0.540505126084 0.425976940904 0.287281113217} H1 1127 -1 1 {} H 0.0 {0.545424837087 0.432308926693 0.309221030572} H2 1128 -1 1 {} H 0.0 {0.468136990165 0.416748650146 0.319446827787} H3 1129 -1 1 {} H 0.0 {0.48125875942 0.407528108755 0.313442543643} H4 1130 -1 1 {} H 0.0 {0.483666371954 0.432933293818 0.352687628045} H5 1131 -1 1 {} H 0.0 {0.468869491133 0.427689629444 0.345611139639} H6 1132 -1 1 {} H 0.0 {0.498019717677 0.398778827322 0.338468215088} H7 1133 -1 1 {} H 0.0 {0.480920781051 0.397552637075 0.338976499192} H8 1134 -1 1 {} H 0.0 {0.49718655671 0.455044822635 0.303414295668} H9 1135 -1 1 {} H 0.0 {0.490175896882 0.439387824897 0.303860838492} H10 1136 -1 1 {} H 0.0 {0.478138509802 0.446776733261 0.327783282686} H11 1137 -1 1 {} H 0.0 {0.486518843115 0.461303309113 0.33141745224} H12 1138 -1 1 {} H 0.0 {0.512835870958 0.462867854918 0.334452346134} H13 1139 -1 1 {} H 0.0 {0.520560380938 0.458347430563 0.319810284411} H14 1140 -1 1 {} H 0.0 {0.511936688549 0.38832397432 0.307146609319} H15 1141 -1 1 {} H 0.0 {0.535993204491 0.373752189433 0.300817283462} H16 1142 -1 1 {} H 0.0 {0.549008936695 0.381072315106 0.291131066444} H17 1143 -1 1 {} H 0.0 {0.534585611082 0.374435547889 0.283088650371} H18 1144 -1 1 {} H 0.0 {0.533376728805 0.398030491356 0.269548332581} H19 1145 -1 1 {} H 0.0 {0.517190520772 0.3969313838 0.325024742249} H20 1146 -1 1 {} H 0.0 {0.529514774323 0.408750620113 0.326767138493} H21 1147 -1 1 {} H 0.0 {0.497446299631 0.412288726128 0.295218689159} H22 1148 -1 14 {} Si 0.0 {0.58614815151 0.389036360703 0.544876035697} Si1 1149 -1 8 {} O 0.0 {0.574628494578 0.386957476788 0.530688363198} O1 1150 -1 14 {} Si 0.0 {0.584323276519 0.385599117913 0.515142302836} Si2 1151 -1 8 {} O 0.0 {0.578034301518 0.371451058319 0.505187491492} O2 1152 -1 14 {} Si 0.0 {0.589866060213 0.357311451006 0.506041509058} Si3 1153 -1 7 {} N 0.0 {0.606456958473 0.362555560455 0.499348764174} N1 1154 -1 14 {} Si 0.0 {0.613077155515 0.375871012417 0.510527676777} Si4 1155 -1 14 {} Si 0.0 {0.603213517712 0.370500097649 0.482972698015} Si5 1156 -1 7 {} N 0.0 {0.605054591211 0.392052502851 0.506104195819} N2 1157 -1 7 {} N 0.0 {0.631511788542 0.377358775724 0.508364668709} N3 1158 -1 7 {} N 0.0 {0.609249886692 0.371631926433 0.528197054506} N4 1159 -1 7 {} N 0.0 {0.592341300967 0.385329035475 0.485597459335} N5 1160 -1 7 {} N 0.0 {0.619293111638 0.375800955593 0.475306758507} N6 1161 -1 7 {} N 0.0 {0.594634548424 0.358386142869 0.471775571916} N7 1162 -1 8 {} O 0.0 {0.598148593889 0.375106133073 0.545154688783} O3 1163 -1 6 {} C 0.0 {0.576360242526 0.389126052142 0.560843661703} C1 1164 -1 8 {} O 0.0 {0.595220247309 0.404952622722 0.543178179649} O4 1165 -1 7 {} N 0.0 {0.583268909922 0.343324356325 0.495723631087} N8 1166 -1 8 {} O 0.0 {0.591650116357 0.351765431754 0.523492726845} O5 1167 -1 1 {} H 0.0 {0.598073192273 0.383488254339 0.518313863273} H1 1168 -1 1 {} H 0.0 {0.582948616738 0.397690631814 0.50761767285} H2 1169 -1 1 {} H 0.0 {0.610725496211 0.396315045609 0.498155884033} H3 1170 -1 1 {} H 0.0 {0.606306151504 0.398540590368 0.51458379189} H4 1171 -1 1 {} H 0.0 {0.634133565629 0.371916120094 0.499599002811} H5 1172 -1 1 {} H 0.0 {0.636028290968 0.372190069775 0.516655875448} H6 1173 -1 1 {} H 0.0 {0.59908662933 0.368463206971 0.528549909081} H7 1174 -1 1 {} H 0.0 {0.609793387951 0.38082984728 0.533750073253} H8 1175 -1 1 {} H 0.0 {0.584938208924 0.385211911213 0.477968110093} H9 1176 -1 1 {} H 0.0 {0.598454412503 0.393993718817 0.483830251808} H10 1177 -1 1 {} H 0.0 {0.620127183669 0.386331479003 0.476687311019} H11 1178 -1 1 {} H 0.0 {0.618344493991 0.37416540183 0.464715530135} H12 1179 -1 1 {} H 0.0 {0.600510920169 0.349497532132 0.47163702354} H13 1180 -1 1 {} H 0.0 {0.595083931496 0.362509577087 0.461852146386} H14 1181 -1 1 {} H 0.0 {0.594890625938 0.367834010522 0.551988269274} H15 1182 -1 1 {} H 0.0 {0.576738879336 0.379219663966 0.565390101246} H16 1183 -1 1 {} H 0.0 {0.566001933813 0.391767178712 0.558708498422} H17 1184 -1 1 {} H 0.0 {0.580652160172 0.39644339077 0.567690878657} H18 1185 -1 1 {} H 0.0 {0.596271401432 0.409392811409 0.552642277339} H19 1186 -1 1 {} H 0.0 {0.590272672972 0.34161563155 0.48787570802} H20 1187 -1 1 {} H 0.0 {0.574265892046 0.346935672766 0.491048133586} H21 1188 -1 1 {} H 0.0 {0.582143353251 0.351014662055 0.527899907614} H22 1189 -1 14 {} Si 0.0 {0.492709965083 0.323027185148 0.373325947115} Si1 1190 -1 8 {} O 0.0 {0.483507705464 0.31597301601 0.387468526447} O1 1191 -1 14 {} Si 0.0 {0.495074332767 0.305819712356 0.397351596209} Si2 1192 -1 8 {} O 0.0 {0.501454732085 0.292146868501 0.386909396428} O2 1193 -1 14 {} Si 0.0 {0.512400463458 0.281531584129 0.397022951151} Si3 1194 -1 7 {} N 0.0 {0.529534853169 0.281845557292 0.389896691116} N1 1195 -1 14 {} Si 0.0 {0.534154886732 0.724414083581 0.385567842974} Si4 1196 -1 14 {} Si 0.0 {0.540858467779 0.287984173713 0.403436593996} Si5 1197 -1 7 {} N 0.0 {0.535074408407 0.714084290421 0.400984512719} N2 1198 -1 7 {} N 0.0 {0.550582859324 0.724164821736 0.376879603611} N3 1199 -1 7 {} N 0.0 {0.521250378979 0.717340564186 0.374202637632} N4 1200 -1 7 {} N 0.0 {0.530961949127 0.298572373294 0.415195621259} N5 1201 -1 7 {} N 0.0 {0.548291706166 0.273599121005 0.412676151872} N6 1202 -1 7 {} N 0.0 {0.554449453021 0.298285321929 0.39600038495} N7 1203 -1 8 {} O 0.0 {0.509547957268 0.315385854114 0.372659730784} O3 1204 -1 6 {} C 0.0 {0.494305384375 0.341605384143 0.375637262934} C1 1205 -1 8 {} O 0.0 {0.483601367752 0.319521674187 0.357695038573} O4 1206 -1 7 {} N 0.0 {0.505881175678 0.724281397945 0.39700498103} N8 1207 -1 8 {} O 0.0 {0.5128001277 0.287927384349 0.414260916609} O5 1208 -1 1 {} H 0.0 {0.488259833746 0.300424694913 0.408683097576} H1 1209 -1 1 {} H 0.0 {0.505993114057 0.313961999459 0.401743141092} H2 1210 -1 1 {} H 0.0 {0.545024440426 0.714812776638 0.404704679131} H3 1211 -1 1 {} H 0.0 {0.53370130763 0.703852237707 0.397920016332} H4 1212 -1 1 {} H 0.0 {0.553399690395 0.274094023766 0.375026403812} H5 1213 -1 1 {} H 0.0 {0.548945307303 0.719624044798 0.367321283626} H6 1214 -1 1 {} H 0.0 {0.512602258491 0.715382376315 0.380061833133} H7 1215 -1 1 {} H 0.0 {0.524941143926 0.707793419106 0.370914582292} H8 1216 -1 1 {} H 0.0 {0.53781214195 0.304972960214 0.420233694948} H9 1217 -1 1 {} H 0.0 {0.526851072543 0.291985674046 0.422660181857} H10 1218 -1 1 {} H 0.0 {0.555965736938 0.269489074006 0.406553753191} H11 1219 -1 1 {} H 0.0 {0.540621932996 0.726257575183 0.413437341746} H12 1220 -1 1 {} H 0.0 {0.56332763253 0.296269412159 0.401519285672} H13 1221 -1 1 {} H 0.0 {0.551924833492 0.308566223474 0.39793421838} H14 1222 -1 1 {} H 0.0 {0.508730596423 0.305271606925 0.370043827007} H15 1223 -1 1 {} H 0.0 {0.499327774419 0.345928412835 0.366997612878} H16 1224 -1 1 {} H 0.0 {0.500111031864 0.343660153682 0.384627774914} H17 1225 -1 1 {} H 0.0 {0.484384869457 0.345993801001 0.376646544842} H18 1226 -1 1 {} H 0.0 {0.473724382565 0.316863944916 0.359925796687} H19 1227 -1 1 {} H 0.0 {0.514288372145 0.717751721024 0.397073747186} H20 1228 -1 1 {} H 0.0 {0.500953996186 0.722859162134 0.387548669401} H21 1229 -1 1 {} H 0.0 {0.507016042173 0.296677797303 0.414867744889} H22 1230 -1 14 {} Si 0.0 {0.709139628798 0.293097495577 0.47718429656} Si1 1231 -1 8 {} O 0.0 {0.703489587003 0.305607774324 0.464938518351} O1 1232 -1 14 {} Si 0.0 {0.705212915167 0.298845342279 0.447924686843} Si2 1233 -1 8 {} O 0.0 {0.68878354104 0.293271816975 0.441922781618} O2 1234 -1 14 {} Si 0.0 {0.688906891081 0.275061404257 0.439337020934} Si3 1235 -1 7 {} N 0.0 {0.677562306691 0.270990428191 0.425371282822} N1 1236 -1 14 {} Si 0.0 {0.65985315838 0.273609163822 0.431284089005} Si4 1237 -1 14 {} Si 0.0 {0.680933796925 0.713042322966 0.420351136812} Si5 1238 -1 7 {} N 0.0 {0.659368775075 0.288937362774 0.441577743791} N2 1239 -1 7 {} N 0.0 {0.653776010579 0.71961487488 0.441752735467} N3 1240 -1 7 {} N 0.0 {0.648652319306 0.275993940683 0.416658499339} N4 1241 -1 7 {} N 0.0 {0.699222107121 0.710895992145 0.417921658662} N5 1242 -1 7 {} N 0.0 {0.675231499213 0.701105229074 0.433663927579} N6 1243 -1 7 {} N 0.0 {0.672455978041 0.709290616679 0.404247402794} N7 1244 -1 8 {} O 0.0 {0.703890105335 0.2763172056 0.471750296705} O3 1245 -1 6 {} C 0.0 {0.701534360147 0.296928773823 0.493942340099} C1 1246 -1 8 {} O 0.0 {0.727477953179 0.293665185993 0.478505072753} O4 1247 -1 7 {} N 0.0 {0.683041331479 0.726653657553 0.454746490038} N8 1248 -1 8 {} O 0.0 {0.705949946115 0.269469862925 0.435200572719} O5 1249 -1 1 {} H 0.0 {0.714298263233 0.287785258947 0.448038922259} H1 1250 -1 1 {} H 0.0 {0.710183890437 0.309075863881 0.439244968234} H2 1251 -1 1 {} H 0.0 {0.65129695301 0.287781562445 0.44841497572} H3 1252 -1 1 {} H 0.0 {0.656683354188 0.296997513895 0.434981465105} H4 1253 -1 1 {} H 0.0 {0.656080793879 0.710808547363 0.436697118952} H5 1254 -1 1 {} H 0.0 {0.643062569012 0.720321650758 0.442041590634} H6 1255 -1 1 {} H 0.0 {0.654801937176 0.276532821729 0.4080192583} H7 1256 -1 1 {} H 0.0 {0.644116311685 0.285707987434 0.417803072725} H8 1257 -1 1 {} H 0.0 {0.700995950177 0.700511874921 0.416319103906} H9 1258 -1 1 {} H 0.0 {0.703879814603 0.713388132745 0.427273136552} H10 1259 -1 1 {} H 0.0 {0.669191328242 0.706420996585 0.440480296294} H11 1260 -1 1 {} H 0.0 {0.684025512677 0.698103485233 0.439077067728} H12 1261 -1 1 {} H 0.0 {0.667262812384 0.700078220855 0.405386639093} H13 1262 -1 1 {} H 0.0 {0.680237950184 0.70757301132 0.397011773396} H14 1263 -1 1 {} H 0.0 {0.7071948042 0.269197789931 0.478732629519} H15 1264 -1 1 {} H 0.0 {0.695390686926 0.288518917545 0.497156183167} H16 1265 -1 1 {} H 0.0 {0.695341011093 0.305863269098 0.49315690057} H17 1266 -1 1 {} H 0.0 {0.709459810967 0.298634326666 0.501224014878} H18 1267 -1 1 {} H 0.0 {0.730181718715 0.298600639848 0.487369164913} H19 1268 -1 1 {} H 0.0 {0.68343858882 0.716176980381 0.452895892078} H20 1269 -1 1 {} H 0.0 {0.672634681518 0.269044010399 0.45587813661} H21 1270 -1 1 {} H 0.0 {0.710059458877 0.72454705145 0.443424163635} H22 1271 -1 14 {} Si 0.0 {0.585607492885 0.699660444781 0.291708862011} Si1 1272 -1 8 {} O 0.0 {0.58584193545 0.682435759592 0.28509254254} O1 1273 -1 14 {} Si 0.0 {0.569802479812 0.674111281201 0.288681938005} Si2 1274 -1 8 {} O 0.0 {0.572765866062 0.659287292069 0.299295819761} O2 1275 -1 14 {} Si 0.0 {0.57022190615 0.663910111179 0.316919736718} Si3 1276 -1 7 {} N 0.0 {0.574361617269 0.649525341856 0.328119484592} N1 1277 -1 14 {} Si 0.0 {0.574436260834 0.656186545589 0.345423921247} Si4 1278 -1 14 {} Si 0.0 {0.591820980388 0.644087650201 0.3245646921} Si5 1279 -1 7 {} N 0.0 {0.55890813203 0.650993004057 0.354254224233} N2 1280 -1 7 {} N 0.0 {0.575358545813 0.674701256906 0.344728906354} N3 1281 -1 7 {} N 0.0 {0.58925789121 0.649665082365 0.354534213605} N4 1282 -1 7 {} N 0.0 {0.59167810517 0.626912562189 0.317463755885} N5 1283 -1 7 {} N 0.0 {0.599800153635 0.655746520632 0.312507040556} N6 1284 -1 7 {} N 0.0 {0.601487979034 0.644059955284 0.340459598182} N7 1285 -1 8 {} O 0.0 {0.595346693191 0.70036215823 0.307294041034} O3 1286 -1 6 {} C 0.0 {0.567889540245 0.704932506029 0.295204844758} C1 1287 -1 8 {} O 0.0 {0.593072937575 0.711062088151 0.279324726498} O4 1288 -1 7 {} N 0.0 {0.552421465701 0.668707211329 0.319509810868} N8 1289 -1 8 {} O 0.0 {0.581006676232 0.678216619106 0.321035359775} O5 1290 -1 1 {} H 0.0 {0.56370528991 0.67004587525 0.276395861344} H1 1291 -1 1 {} H 0.0 {0.561134143115 0.683207528633 0.295507283716} H2 1292 -1 1 {} H 0.0 {0.558862201416 0.655901856343 0.363720862058} H3 1293 -1 1 {} H 0.0 {0.559885025391 0.640472475018 0.356274460505} H4 1294 -1 1 {} H 0.0 {0.570683996941 0.677754422956 0.335650102284} H5 1295 -1 1 {} H 0.0 {0.585768990695 0.677215021519 0.343818314462} H6 1296 -1 1 {} H 0.0 {0.587092646205 0.650301202684 0.364945012049} H7 1297 -1 1 {} H 0.0 {0.597302322253 0.656568318604 0.352656453693} H8 1298 -1 1 {} H 0.0 {0.601342021724 0.622727273173 0.319139374865} H9 1299 -1 1 {} H 0.0 {0.590611781099 0.627984960285 0.306821481205} H10 1300 -1 1 {} H 0.0 {0.599201530612 0.651221386235 0.302882309848} H11 1301 -1 1 {} H 0.0 {0.610256420319 0.656124467416 0.315063887789} H12 1302 -1 1 {} H 0.0 {0.610425528448 0.649582508846 0.338747046138} H13 1303 -1 1 {} H 0.0 {0.604464498325 0.633875723493 0.342251376799} H14 1304 -1 1 {} H 0.0 {0.595048512278 0.710125459187 0.311150833853} H15 1305 -1 1 {} H 0.0 {0.565845666515 0.703953231611 0.305855746167} H16 1306 -1 1 {} H 0.0 {0.56102665361 0.698598402971 0.289591931261} H17 1307 -1 1 {} H 0.0 {0.566534070441 0.715327288169 0.292211091183} H18 1308 -1 1 {} H 0.0 {0.589064693237 0.720688730741 0.280571481744} H19 1309 -1 1 {} H 0.0 {0.549782970335 0.665827901035 0.329431618116} H20 1310 -1 1 {} H 0.0 {0.546568479616 0.66256688449 0.312886775171} H21 1311 -1 1 {} H 0.0 {0.57676433257 0.687008870304 0.317141037706} H22 1312 -1 14 {} Si 0.0 {0.613143461214 0.605100237996 0.28101390569} Si1 1313 -1 8 {} O 0.0 {0.605722487031 0.590973031816 0.271848867596} O1 1314 -1 14 {} Si 0.0 {0.594698665233 0.581400377927 0.283081720592} Si2 1315 -1 8 {} O 0.0 {0.577206806415 0.586345492524 0.280112873119} O2 1316 -1 14 {} Si 0.0 {0.567388926278 0.584180190952 0.29551897521} Si3 1317 -1 7 {} N 0.0 {0.558965741136 0.56755017391 0.2951158809} N1 1318 -1 14 {} Si 0.0 {0.543878987611 0.568089004711 0.306338309197} Si4 1319 -1 14 {} Si 0.0 {0.571071730666 0.554744286956 0.301513221367} Si5 1320 -1 7 {} N 0.0 {0.547569515313 0.561111534135 0.323092166917} N2 1321 -1 7 {} N 0.0 {0.530263554127 0.558146635466 0.298471103014} N3 1322 -1 7 {} N 0.0 {0.538310237524 0.585614233589 0.308501346087} N4 1323 -1 7 {} N 0.0 {0.587596491027 0.562654038135 0.304667743728} N5 1324 -1 7 {} N 0.0 {0.564855629476 0.547227009903 0.317192329162} N6 1325 -1 7 {} N 0.0 {0.572983081297 0.541367771099 0.28876046666} N7 1326 -1 8 {} O 0.0 {0.628083739341 0.599331589567 0.290049604199} O3 1327 -1 6 {} C 0.0 {0.600638594351 0.611950637869 0.293290904511} C1 1328 -1 8 {} O 0.0 {0.617902943261 0.618303630183 0.269104965641} O4 1329 -1 7 {} N 0.0 {0.554557924622 0.597608382991 0.296419564793} N8 1330 -1 8 {} O 0.0 {0.578564560507 0.58526369549 0.310099868396} O5 1331 -1 1 {} H 0.0 {0.598203931437 0.584077918445 0.296671937707} H1 1332 -1 1 {} H 0.0 {0.596206659495 0.567436115793 0.280415671619} H2 1333 -1 1 {} H 0.0 {0.53947845428 0.554573814567 0.325580426236} H3 1334 -1 1 {} H 0.0 {0.547031283069 0.569290469789 0.3300460071} H4 1335 -1 1 {} H 0.0 {0.529094215121 0.561723271227 0.288500730898} H5 1336 -1 1 {} H 0.0 {0.521204886431 0.560610102809 0.303697378688} H6 1337 -1 1 {} H 0.0 {0.546488736939 0.591011187858 0.312612165699} H7 1338 -1 1 {} H 0.0 {0.530646630214 0.585484771462 0.316072604828} H8 1339 -1 1 {} H 0.0 {0.592729413921 0.563046921522 0.295366677211} H9 1340 -1 1 {} H 0.0 {0.593125320718 0.555840088573 0.310919338774} H10 1341 -1 1 {} H 0.0 {0.57316173883 0.546319994907 0.323771220388} H11 1342 -1 1 {} H 0.0 {0.561761047868 0.537197173978 0.314776930567} H12 1343 -1 1 {} H 0.0 {0.563322883934 0.537149959418 0.287151980939} H13 1344 -1 1 {} H 0.0 {0.578976522948 0.533653931653 0.293256912205} H14 1345 -1 1 {} H 0.0 {0.625913044187 0.598655268147 0.300294483062} H15 1346 -1 1 {} H 0.0 {0.600644879632 0.605807848752 0.302291369522} H16 1347 -1 1 {} H 0.0 {0.590698274235 0.611834379261 0.288820385743} H17 1348 -1 1 {} H 0.0 {0.603335677747 0.622190212733 0.295879526452} H18 1349 -1 1 {} H 0.0 {0.61267234744 0.62711850367 0.271389898661} H19 1350 -1 1 {} H 0.0 {0.554968648135 0.601750645554 0.306215587277} H20 1351 -1 1 {} H 0.0 {0.544981104976 0.592790548697 0.295499288547} H21 1352 -1 1 {} H 0.0 {0.584886996399 0.593592274318 0.309027494137} H22 1353 -1 14 {} Si 0.0 {0.312957582295 0.587116223681 0.592078724305} Si1 1354 -1 8 {} O 0.0 {0.321258674126 0.582808830071 0.607967496036} O1 1355 -1 14 {} Si 0.0 {0.339539253956 0.582606707539 0.60565143989} Si2 1356 -1 8 {} O 0.0 {0.343526729731 0.584553727324 0.587803768576} O2 1357 -1 14 {} Si 0.0 {0.359383952364 0.593753910647 0.585967644646} Si3 1358 -1 7 {} N 0.0 {0.36978942155 0.585494186698 0.57305194173} N1 1359 -1 14 {} Si 0.0 {0.371835420932 0.567849079722 0.57845076838} Si4 1360 -1 14 {} Si 0.0 {0.386624772224 0.59349570482 0.573596133232} Si5 1361 -1 7 {} N 0.0 {0.385274522066 0.559809870888 0.568474933075} N2 1362 -1 7 {} N 0.0 {0.355840490213 0.558698812719 0.575888286081} N3 1363 -1 7 {} N 0.0 {0.376351402691 0.567439965686 0.596486232514} N4 1364 -1 7 {} N 0.0 {0.385479450433 0.609797629714 0.582474027572} N5 1365 -1 7 {} N 0.0 {0.398546895735 0.582408072719 0.582577167335} N6 1366 -1 7 {} N 0.0 {0.392694256331 0.59633880992 0.556269774641} N7 1367 -1 8 {} O 0.0 {0.298263275569 0.576291118092 0.58973016803} O3 1368 -1 6 {} C 0.0 {0.324898007377 0.584607155379 0.577773219518} C1 1369 -1 8 {} O 0.0 {0.307572861719 0.604705087441 0.592548969973} O4 1370 -1 7 {} N 0.0 {0.368579692447 0.593673846804 0.602111425905} N8 1371 -1 8 {} O 0.0 {0.355898120046 0.611090734081 0.580935630387} O5 1372 -1 1 {} H 0.0 {0.344786982378 0.570167099971 0.610380325344} H1 1373 -1 1 {} H 0.0 {0.345398083043 0.593354948989 0.613037856791} H2 1374 -1 1 {} H 0.0 {0.382390754488 0.549678868286 0.566886948011} H3 1375 -1 1 {} H 0.0 {0.394016652583 0.55956266697 0.57473154106} H4 1376 -1 1 {} H 0.0 {0.349726411733 0.564724257574 0.5695727963} H5 1377 -1 1 {} H 0.0 {0.350926860779 0.558335035262 0.585461242179} H6 1378 -1 1 {} H 0.0 {0.385521425475 0.562098175107 0.597332175614} H7 1379 -1 1 {} H 0.0 {0.368863174217 0.561479687925 0.601408579223} H8 1380 -1 1 {} H 0.0 {0.388973385587 0.617302599763 0.575759144922} H9 1381 -1 1 {} H 0.0 {0.392558648093 0.60940349881 0.590571632715} H10 1382 -1 1 {} H 0.0 {0.393078138944 0.57743127662 0.590236516755} H11 1383 -1 1 {} H 0.0 {0.405603189951 0.588849256427 0.58754266643} H12 1384 -1 1 {} H 0.0 {0.400714521794 0.58952720835 0.554574848023} H13 1385 -1 1 {} H 0.0 {0.396966710471 0.606211113228 0.55609449477} H14 1386 -1 1 {} H 0.0 {0.296172797439 0.575422363513 0.579475451615} H15 1387 -1 1 {} H 0.0 {0.319314520982 0.58420448594 0.56841785992} H16 1388 -1 1 {} H 0.0 {0.330327091698 0.575261212607 0.579166322687} H17 1389 -1 1 {} H 0.0 {0.331954981333 0.592904690879 0.577432674786} H18 1390 -1 1 {} H 0.0 {0.31579575161 0.610925200936 0.590574857671} H19 1391 -1 1 {} H 0.0 {0.369496977056 0.603798713503 0.605270537233} H20 1392 -1 1 {} H 0.0 {0.378555450578 0.590225988943 0.599946408814} H21 1393 -1 1 {} H 0.0 {0.349889603112 0.615684483774 0.588214818594} H22 1394 -1 14 {} Si 0.0 {0.539827863456 0.525245577872 0.359499689501} Si1 1395 -1 8 {} O 0.0 {0.52342652364 0.532276590619 0.364208472335} O1 1396 -1 14 {} Si 0.0 {0.517310776347 0.543386440862 0.350807630755} Si2 1397 -1 8 {} O 0.0 {0.506649718468 0.556554946082 0.358034112185} O2 1398 -1 14 {} Si 0.0 {0.490435630856 0.556268404003 0.349425821368} Si3 1399 -1 7 {} N 0.0 {0.479162157724 0.569217019475 0.356363781294} N1 1400 -1 14 {} Si 0.0 {0.468919075689 0.560764360537 0.369460480969} Si4 1401 -1 14 {} Si 0.0 {0.46784873821 0.574101672325 0.342377685675} Si5 1402 -1 7 {} N 0.0 {0.476682782447 0.544374970616 0.373598825214} N2 1403 -1 7 {} N 0.0 {0.451648261666 0.557974408909 0.363178721864} N3 1404 -1 7 {} N 0.0 {0.468356317324 0.571314530439 0.384756781515} N4 1405 -1 7 {} N 0.0 {0.458192786736 0.559274369945 0.336759097447} N5 1406 -1 7 {} N 0.0 {0.456060377364 0.58729191441 0.347891372791} N6 1407 -1 7 {} N 0.0 {0.47813521257 0.580512996239 0.328262738446} N7 1408 -1 8 {} O 0.0 {0.553202689979 0.53575905614 0.366423925253} O3 1409 -1 6 {} C 0.0 {0.541337592472 0.52469707488 0.340768257775} C1 1410 -1 8 {} O 0.0 {0.541446799297 0.508183655541 0.366250502961} O4 1411 -1 7 {} N 0.0 {0.482576835098 0.539640041369 0.351744911329} N8 1412 -1 8 {} O 0.0 {0.492980285247 0.559414190979 0.33148832148} O5 1413 -1 1 {} H 0.0 {0.509669789505 0.535765238284 0.341435830501} H1 1414 -1 1 {} H 0.0 {0.528376164497 0.549377404832 0.344084904384} H2 1415 -1 1 {} H 0.0 {0.470212271849 0.536779073325 0.369871571689} H3 1416 -1 1 {} H 0.0 {0.476565386277 0.543513107186 0.384321036768} H4 1417 -1 1 {} H 0.0 {0.448407951063 0.567059914034 0.358690621211} H5 1418 -1 1 {} H 0.0 {0.445431881284 0.556441106038 0.371836932248} H6 1419 -1 1 {} H 0.0 {0.472544634554 0.565565926905 0.392705272382} H7 1420 -1 1 {} H 0.0 {0.457964121398 0.572719696111 0.387151190921} H8 1421 -1 1 {} H 0.0 {0.453584427653 0.56184117742 0.327506380559} H9 1422 -1 1 {} H 0.0 {0.450230846894 0.557921323429 0.343865560619} H10 1423 -1 1 {} H 0.0 {0.446430244248 0.582826917116 0.34854731024} H11 1424 -1 1 {} H 0.0 {0.455555314435 0.594502222604 0.339903363898} H12 1425 -1 1 {} H 0.0 {0.473993337345 0.589869182304 0.325311608371} H13 1426 -1 1 {} H 0.0 {0.4766375505 0.573757599227 0.320030781959} H14 1427 -1 1 {} H 0.0 {0.561290440489 0.52968011439 0.369227672229} H15 1428 -1 1 {} H 0.0 {0.547509075883 0.532998567856 0.337386342166} H16 1429 -1 1 {} H 0.0 {0.531434022849 0.525473284261 0.336291579797} H17 1430 -1 1 {} H 0.0 {0.545952118212 0.515285257127 0.337771462541} H18 1431 -1 1 {} H 0.0 {0.545059301797 0.501785358499 0.35874278603} H19 1432 -1 1 {} H 0.0 {0.472079508908 0.541236420729 0.35267744969} H20 1433 -1 1 {} H 0.0 {0.485961708179 0.535958030745 0.361265755247} H21 1434 -1 1 {} H 0.0 {0.499753695313 0.552386591858 0.327647262328} H22 1435 -1 14 {} Si 0.0 {0.608036681441 0.345212457093 0.59048534922} Si1 1436 -1 8 {} O 0.0 {0.607589741647 0.32783759836 0.596693021328} O1 1437 -1 14 {} Si 0.0 {0.62432857241 0.322854767055 0.602687330701} Si2 1438 -1 8 {} O 0.0 {0.631587304255 0.310465405129 0.591125423616} O2 1439 -1 14 {} Si 0.0 {0.632674886818 0.294008995131 0.599435924029} Si3 1440 -1 7 {} N 0.0 {0.621379131211 0.281970702371 0.590627015876} N1 1441 -1 14 {} Si 0.0 {0.624326904902 0.724893570815 0.597267322458} Si4 1442 -1 14 {} Si 0.0 {0.626438901526 0.281718741103 0.572771713222} Si5 1443 -1 7 {} N 0.0 {0.617742550073 0.712516724835 0.585016442654} N2 1444 -1 7 {} N 0.0 {0.615454245426 0.722763467912 0.613461058701} N3 1445 -1 7 {} N 0.0 {0.642536446831 0.722023870157 0.599696160959} N4 1446 -1 7 {} N 0.0 {0.618338920969 0.295844743139 0.563833200152} N5 1447 -1 7 {} N 0.0 {0.644928369829 0.28332346269 0.57153943337} N6 1448 -1 7 {} N 0.0 {0.621105406537 0.725768349521 0.565124221769} N7 1449 -1 8 {} O 0.0 {0.625195262768 0.349553290172 0.585474407508} O3 1450 -1 6 {} C 0.0 {0.602341302823 0.356919374992 0.604062731132} C1 1451 -1 8 {} O 0.0 {0.59682852072 0.346818173523 0.575969588635} O4 1452 -1 7 {} N 0.0 {0.627485608264 0.295715668257 0.617214169926} N8 1453 -1 8 {} O 0.0 {0.65004342577 0.288001219745 0.59869159655} O5 1454 -1 1 {} H 0.0 {0.623207537874 0.317088260373 0.615735804305} H1 1455 -1 1 {} H 0.0 {0.632796372536 0.334353043554 0.603288417763} H2 1456 -1 1 {} H 0.0 {0.618642222279 0.70287641087 0.589444196027} H3 1457 -1 1 {} H 0.0 {0.624430536478 0.71265421203 0.57658960051} H4 1458 -1 1 {} H 0.0 {0.612944972343 0.272345175168 0.616992839103} H5 1459 -1 1 {} H 0.0 {0.622619524414 0.718723586097 0.620399686796} H6 1460 -1 1 {} H 0.0 {0.646428990288 0.718458630173 0.590429289024} H7 1461 -1 1 {} H 0.0 {0.643462138886 0.713908561363 0.606717081884} H8 1462 -1 1 {} H 0.0 {0.617673371173 0.293109765274 0.553561083804} H9 1463 -1 1 {} H 0.0 {0.625163407943 0.304142458324 0.564360360768} H10 1464 -1 1 {} H 0.0 {0.647332483735 0.293567857282 0.573191578188} H11 1465 -1 1 {} H 0.0 {0.647538607318 0.281170888924 0.561324397212} H12 1466 -1 1 {} H 0.0 {0.628978196014 0.722552216542 0.558716476675} H13 1467 -1 1 {} H 0.0 {0.612709303199 0.267869720886 0.558787576811} H14 1468 -1 1 {} H 0.0 {0.626715161957 0.359863108385 0.586819263271} H15 1469 -1 1 {} H 0.0 {0.610650297546 0.358978470838 0.610805730961} H16 1470 -1 1 {} H 0.0 {0.594184438208 0.352323715035 0.609639441967} H17 1471 -1 1 {} H 0.0 {0.598886607018 0.366250142612 0.599598492955} H18 1472 -1 1 {} H 0.0 {0.592439383736 0.356364603108 0.575984494571} H19 1473 -1 1 {} H 0.0 {0.629147661096 0.286306297042 0.62191501919} H20 1474 -1 1 {} H 0.0 {0.61685102071 0.297300717994 0.617190673953} H21 1475 -1 1 {} H 0.0 {0.656476360838 0.295503301062 0.602310858468} H22 1476 -1 14 {} Si 0.0 {0.663112052281 0.271586077967 0.676987466365} Si1 1477 -1 8 {} O 0.0 {0.665783109764 0.721415634106 0.691920775017} O1 1478 -1 14 {} Si 0.0 {0.653489299375 0.707776401847 0.691757400106} Si2 1479 -1 8 {} O 0.0 {0.658139450782 0.695052503041 0.704072236547} O2 1480 -1 14 {} Si 0.0 {0.653801208719 0.701098079811 0.260673916689} Si3 1481 -1 7 {} N 0.0 {0.648557390024 0.71897981567 0.259618281009} N1 1482 -1 14 {} Si 0.0 {0.660302022332 0.268575216368 0.270420505185} Si4 1483 -1 14 {} Si 0.0 {0.631021747363 0.720104465453 0.266548142064} Si5 1484 -1 7 {} N 0.0 {0.651802956576 0.283326500436 0.277772276944} N2 1485 -1 7 {} N 0.0 {0.674730718763 0.274249821855 0.260117521045} N3 1486 -1 7 {} N 0.0 {0.66645445141 0.717768764056 0.284010887585} N4 1487 -1 7 {} N 0.0 {0.630458791578 0.713666346102 0.284063732669} N5 1488 -1 7 {} N 0.0 {0.624990179244 0.277629291002 0.266099852448} N6 1489 -1 7 {} N 0.0 {0.619810933065 0.70974074477 0.255980140637} N7 1490 -1 8 {} O 0.0 {0.648239874294 0.725534580234 0.668091307184} O3 1491 -1 6 {} C 0.0 {0.678124786486 0.27036467143 0.665750743113} C1 1492 -1 8 {} O 0.0 {0.660458155438 0.289116143206 0.681916067157} O4 1493 -1 7 {} N 0.0 {0.668708074581 0.699502207069 0.271624808052} N8 1494 -1 8 {} O 0.0 {0.640037948597 0.690993314022 0.267490701464} O5 1495 -1 1 {} H 0.0 {0.653135965034 0.701884534588 0.678752232388} H1 1496 -1 1 {} H 0.0 {0.640588952135 0.71300467776 0.694982052163} H2 1497 -1 1 {} H 0.0 {0.658563498834 0.287678935069 0.284799419206} H3 1498 -1 1 {} H 0.0 {0.64351872651 0.279579721629 0.283443058773} H4 1499 -1 1 {} H 0.0 {0.679062501589 0.72570141815 0.255697930483} H5 1500 -1 1 {} H 0.0 {0.682055597399 0.278187694855 0.2669449586} H6 1501 -1 1 {} H 0.0 {0.65842227271 0.711330070835 0.286613145231} H7 1502 -1 1 {} H 0.0 {0.668212325566 0.724103589996 0.292541746836} H8 1503 -1 1 {} H 0.0 {0.631872344127 0.703128034616 0.283592851166} H9 1504 -1 1 {} H 0.0 {0.620410679395 0.715218519932 0.287637888583} H10 1505 -1 1 {} H 0.0 {0.624457567211 0.281093524418 0.276164458891} H11 1506 -1 1 {} H 0.0 {0.614870650432 0.277346087911 0.262418467125} H12 1507 -1 1 {} H 0.0 {0.610331563425 0.714590979349 0.255722994691} H13 1508 -1 1 {} H 0.0 {0.61836742761 0.700455221695 0.261199928687} H14 1509 -1 1 {} H 0.0 {0.649087572496 0.267644709943 0.657894154045} H15 1510 -1 1 {} H 0.0 {0.678496645617 0.720568181981 0.661256215964} H16 1511 -1 1 {} H 0.0 {0.687178879894 0.272052110236 0.671582638151} H17 1512 -1 1 {} H 0.0 {0.677404642642 0.27788392719 0.657899081976} H18 1513 -1 1 {} H 0.0 {0.668711000807 0.292479789455 0.687448525884} H19 1514 -1 1 {} H 0.0 {0.66534543742 0.699903061007 0.281690381448} H20 1515 -1 1 {} H 0.0 {0.67471017665 0.708290256645 0.270008512034} H21 1516 -1 1 {} H 0.0 {0.641002788426 0.681090403686 0.264136075394} H22 1517 -1 14 {} Si 0.0 {0.500523537345 0.473692809578 0.661814939628} Si1 1518 -1 8 {} O 0.0 {0.483368234769 0.470829177267 0.655690387404} O1 1519 -1 14 {} Si 0.0 {0.479615556894 0.48239727146 0.641854193029} Si2 1520 -1 8 {} O 0.0 {0.494738932538 0.491799579237 0.637373160144} O2 1521 -1 14 {} Si 0.0 {0.495641701019 0.493310834639 0.619090121295} Si3 1522 -1 7 {} N 0.0 {0.503396163894 0.477926421761 0.611942600809} N1 1523 -1 14 {} Si 0.0 {0.496762261165 0.475957793079 0.59468160824} Si4 1524 -1 14 {} Si 0.0 {0.497078782774 0.463347389236 0.62173902009} Si5 1525 -1 7 {} N 0.0 {0.505871553902 0.462221730543 0.586090110752} N2 1526 -1 7 {} N 0.0 {0.499025883334 0.491795829953 0.585195081677} N3 1527 -1 7 {} N 0.0 {0.478670814846 0.471775608248 0.595547593765} N4 1528 -1 7 {} N 0.0 {0.500686030158 0.465764181394 0.639804275985} N5 1529 -1 7 {} N 0.0 {0.478724747371 0.461738280507 0.61924632881} N6 1530 -1 7 {} N 0.0 {0.505449951013 0.4478338695 0.615855279887} N7 1531 -1 8 {} O 0.0 {0.499844181687 0.480366449277 0.678941223766} O3 1532 -1 6 {} C 0.0 {0.509329674844 0.486017217123 0.650653378203} C1 1533 -1 8 {} O 0.0 {0.509752307251 0.457770563291 0.661819680129} O4 1534 -1 7 {} N 0.0 {0.505853340747 0.508220064302 0.614604762852} N8 1535 -1 8 {} O 0.0 {0.478663057504 0.495296414006 0.612308514813} O5 1536 -1 1 {} H 0.0 {0.469362785784 0.491501117821 0.64588148062} H1 1537 -1 1 {} H 0.0 {0.475161345787 0.474940610326 0.630504747574} H2 1538 -1 1 {} H 0.0 {0.507782478607 0.465450143043 0.576122062822} H3 1539 -1 1 {} H 0.0 {0.499017951901 0.453960172579 0.585371317991} H4 1540 -1 1 {} H 0.0 {0.505241741242 0.498135508726 0.591054778966} H5 1541 -1 1 {} H 0.0 {0.489375397754 0.49653071114 0.58474668956} H6 1542 -1 1 {} H 0.0 {0.475847955797 0.467958089989 0.586019952303} H7 1543 -1 1 {} H 0.0 {0.473411641268 0.48107629351 0.59680799497} H8 1544 -1 1 {} H 0.0 {0.496302189831 0.45755335757 0.645014331677} H9 1545 -1 1 {} H 0.0 {0.495315654877 0.474522458181 0.642867009616} H10 1546 -1 1 {} H 0.0 {0.474707887517 0.45734257203 0.628081216895} H11 1547 -1 1 {} H 0.0 {0.477304650401 0.454574530038 0.611344127139} H12 1548 -1 1 {} H 0.0 {0.501767470079 0.439810059713 0.621826371484} H13 1549 -1 1 {} H 0.0 {0.515889007281 0.448871733098 0.618232671276} H14 1550 -1 1 {} H 0.0 {0.494060643998 0.489128235645 0.679039845014} H15 1551 -1 1 {} H 0.0 {0.504443771035 0.495729816276 0.651401934095} H16 1552 -1 1 {} H 0.0 {0.508938056208 0.482525349721 0.640336783517} H17 1553 -1 1 {} H 0.0 {0.519731313921 0.486938367752 0.653771716188} H18 1554 -1 1 {} H 0.0 {0.519862860089 0.459595385753 0.659647958047} H19 1555 -1 1 {} H 0.0 {0.50767651523 0.507788184743 0.604125129215} H20 1556 -1 1 {} H 0.0 {0.51538308661 0.50700736076 0.619428162402} H21 1557 -1 1 {} H 0.0 {0.477424588963 0.505126519103 0.608838491525} H22 1558 -1 14 {} Si 0.0 {0.605137490236 0.639803230782 0.611779159232} Si1 1559 -1 8 {} O 0.0 {0.618149958388 0.641005021274 0.624776596278} O1 1560 -1 14 {} Si 0.0 {0.615744663391 0.627598109645 0.637267136157} Si2 1561 -1 8 {} O 0.0 {0.600638500941 0.617968198251 0.633159288771} O2 1562 -1 14 {} Si 0.0 {0.602805543931 0.60041454525 0.638337073725} Si3 1563 -1 7 {} N 0.0 {0.618161164895 0.593357518244 0.630579350862} N1 1564 -1 14 {} Si 0.0 {0.63225331047 0.596049060983 0.642287764712} Si4 1565 -1 14 {} Si 0.0 {0.621814180611 0.603292927054 0.615473214964} Si5 1566 -1 7 {} N 0.0 {0.640280017667 0.579726667053 0.645808065669} N2 1567 -1 7 {} N 0.0 {0.626013784428 0.603497361302 0.658133841409} N3 1568 -1 7 {} N 0.0 {0.644619553783 0.607538595846 0.634452014792} N4 1569 -1 7 {} N 0.0 {0.61665517806 0.620830249348 0.61834908202} N5 1570 -1 7 {} N 0.0 {0.640049104633 0.60270066525 0.61198035112} N6 1571 -1 7 {} N 0.0 {0.612466691357 0.596285071747 0.601051417395} N7 1572 -1 8 {} O 0.0 {0.597400995179 0.65630042873 0.609271112408} O3 1573 -1 6 {} C 0.0 {0.592051629024 0.627538133344 0.617281554987} C1 1574 -1 8 {} O 0.0 {0.612712768818 0.6341263029 0.595942990168} O4 1575 -1 7 {} N 0.0 {0.588074898184 0.590461874481 0.632700584212} N8 1576 -1 8 {} O 0.0 {0.604195825899 0.599409090457 0.656648304128} O5 1577 -1 1 {} H 0.0 {0.614295705578 0.633392810801 0.650254179022} H1 1578 -1 1 {} H 0.0 {0.627085084856 0.618897973153 0.637175451399} H2 1579 -1 1 {} H 0.0 {0.645574081914 0.580730888306 0.654936551537} H3 1580 -1 1 {} H 0.0 {0.647636815159 0.578200317625 0.63810455522} H4 1581 -1 1 {} H 0.0 {0.632004591006 0.612083715272 0.660159143765} H5 1582 -1 1 {} H 0.0 {0.628136312934 0.596386658274 0.665921738581} H6 1583 -1 1 {} H 0.0 {0.65431146858 0.603693577078 0.6365854682} H7 1584 -1 1 {} H 0.0 {0.643836419248 0.61693457473 0.639640198782} H8 1585 -1 1 {} H 0.0 {0.613862890799 0.62482705559 0.608947996987} H9 1586 -1 1 {} H 0.0 {0.625471550795 0.626147690716 0.621450910704} H10 1587 -1 1 {} H 0.0 {0.644336874312 0.611543867816 0.616100234819} H11 1588 -1 1 {} H 0.0 {0.641166406421 0.603438591264 0.60131596798} H12 1589 -1 1 {} H 0.0 {0.617120361395 0.587056972202 0.598463848544} H13 1590 -1 1 {} H 0.0 {0.614099621008 0.602958396216 0.592799828022} H14 1591 -1 1 {} H 0.0 {0.588525113345 0.656871176088 0.614843760278} H15 1592 -1 1 {} H 0.0 {0.589376225763 0.629529470514 0.627659578997} H16 1593 -1 1 {} H 0.0 {0.595979090765 0.617394525965 0.616408090995} H17 1594 -1 1 {} H 0.0 {0.583222832639 0.628564794339 0.611019646514} H18 1595 -1 1 {} H 0.0 {0.607170618187 0.626082860265 0.592082572766} H19 1596 -1 1 {} H 0.0 {0.591221170687 0.584532210166 0.624416858179} H20 1597 -1 1 {} H 0.0 {0.580887485811 0.597473377881 0.628886295472} H21 1598 -1 1 {} H 0.0 {0.608472955285 0.608214017017 0.660290861192} H22 1599 -1 14 {} Si 0.0 {0.533431605826 0.573254275054 0.477013963745} Si1 1600 -1 8 {} O 0.0 {0.527867330362 0.589715949245 0.483503219703} O1 1601 -1 14 {} Si 0.0 {0.532641505497 0.591928232179 0.50122377588} Si2 1602 -1 8 {} O 0.0 {0.548826419544 0.583751378417 0.504456226284} O2 1603 -1 14 {} Si 0.0 {0.550487789831 0.580207019829 0.522440215982} Si3 1604 -1 7 {} N 0.0 {0.549423490716 0.561774885906 0.525567583754} N1 1605 -1 14 {} Si 0.0 {0.566241638118 0.554314846306 0.52273532868} Si4 1606 -1 14 {} Si 0.0 {0.538127511814 0.554345315269 0.512779915765} Si5 1607 -1 7 {} N 0.0 {0.571572118056 0.557438173318 0.505234580318} N2 1608 -1 7 {} N 0.0 {0.565283086281 0.535983376451 0.525669905605} N3 1609 -1 7 {} N 0.0 {0.57861806892 0.561779280337 0.534423259413} N4 1610 -1 7 {} N 0.0 {0.52170741517 0.550394680357 0.520496637964} N5 1611 -1 7 {} N 0.0 {0.53563112508 0.566304569116 0.498898794223} N6 1612 -1 7 {} N 0.0 {0.545808663922 0.538757632654 0.506172713392} N7 1613 -1 8 {} O 0.0 {0.51999813994 0.560861432712 0.479291315697} O3 1614 -1 6 {} C 0.0 {0.548924634222 0.567486380761 0.485979302259} C1 1615 -1 8 {} O 0.0 {0.537171932532 0.574816093712 0.459073379943} O4 1616 -1 7 {} N 0.0 {0.536788799333 0.588768934255 0.531633101116} N8 1617 -1 8 {} O 0.0 {0.566709632913 0.58652212227 0.528394908241} O5 1618 -1 1 {} H 0.0 {0.522608186228 0.58614370257 0.509631879217} H1 1619 -1 1 {} H 0.0 {0.533734803271 0.605895862794 0.504096502622} H2 1620 -1 1 {} H 0.0 {0.580823138898 0.552363933551 0.503841128649} H3 1621 -1 1 {} H 0.0 {0.573695520549 0.567949889869 0.504473533306} H4 1622 -1 1 {} H 0.0 {0.555808164571 0.53399833209 0.530138268736} H5 1623 -1 1 {} H 0.0 {0.572704785162 0.533657899527 0.533087151964} H6 1624 -1 1 {} H 0.0 {0.577371805224 0.57233396457 0.534038769284} H7 1625 -1 1 {} H 0.0 {0.588361698962 0.559689510431 0.530329137661} H8 1626 -1 1 {} H 0.0 {0.520175772282 0.539907552332 0.519449218254} H9 1627 -1 1 {} H 0.0 {0.514226103819 0.555202876588 0.514430716269} H10 1628 -1 1 {} H 0.0 {0.533197256442 0.575622301588 0.503247790185} H11 1629 -1 1 {} H 0.0 {0.526903414729 0.563048319865 0.493586581456} H12 1630 -1 1 {} H 0.0 {0.539551517429 0.535227723571 0.498314824591} H13 1631 -1 1 {} H 0.0 {0.545246315388 0.531460719169 0.51405715681} H14 1632 -1 1 {} H 0.0 {0.516159371925 0.558112025245 0.469902815398} H15 1633 -1 1 {} H 0.0 {0.548267631394 0.556769779602 0.487829082228} H16 1634 -1 1 {} H 0.0 {0.549841828455 0.572683237386 0.495364986168} H17 1635 -1 1 {} H 0.0 {0.557659975207 0.569577380454 0.479821820898} H18 1636 -1 1 {} H 0.0 {0.545424888544 0.568776947569 0.456699338651} H19 1637 -1 1 {} H 0.0 {0.541224617286 0.596566841156 0.537374556245} H20 1638 -1 1 {} H 0.0 {0.532867053649 0.581630897809 0.538664604922} H21 1639 -1 1 {} H 0.0 {0.571755638188 0.591203234611 0.520456855397} H22 1640 -1 14 {} Si 0.0 {0.627047680061 0.490138208888 0.624468280233} Si1 1641 -1 8 {} O 0.0 {0.629898502251 0.50809864401 0.627090789199} O1 1642 -1 14 {} Si 0.0 {0.64605455526 0.510463320268 0.635613493779} Si2 1643 -1 8 {} O 0.0 {0.654726625104 0.524992758741 0.628435285872} O2 1644 -1 14 {} Si 0.0 {0.666433729168 0.519276537361 0.615470856673} Si3 1645 -1 7 {} N 0.0 {0.670474515885 0.533429635653 0.604052451661} N1 1646 -1 14 {} Si 0.0 {0.665485507949 0.528206164992 0.58689725662} Si4 1647 -1 14 {} Si 0.0 {0.688995818337 0.535539051126 0.604189508478} Si5 1648 -1 7 {} N 0.0 {0.64911907522 0.535925629459 0.582624547406} N2 1649 -1 7 {} N 0.0 {0.663921177247 0.509701720775 0.586305488697} N3 1650 -1 7 {} N 0.0 {0.67832306026 0.533721004793 0.574642613463} N4 1651 -1 7 {} N 0.0 {0.696714893184 0.523801116803 0.591997493097} N5 1652 -1 7 {} N 0.0 {0.693327736863 0.553021194446 0.599523161784} N6 1653 -1 7 {} N 0.0 {0.69544306536 0.531944794355 0.621274875214} N7 1654 -1 8 {} O 0.0 {0.616670818812 0.48348771657 0.638122761181} O3 1655 -1 6 {} C 0.0 {0.64350362194 0.481279598375 0.624328156503} C1 1656 -1 8 {} O 0.0 {0.618547561576 0.487460810642 0.608375600494} O4 1657 -1 7 {} N 0.0 {0.65864757714 0.505475054453 0.605759672404} N8 1658 -1 8 {} O 0.0 {0.681809024467 0.513151134724 0.623431247736} O5 1659 -1 1 {} H 0.0 {0.654123230108 0.498781227908 0.633869313107} H1 1660 -1 1 {} H 0.0 {0.643816417881 0.512663689138 0.649558802929} H2 1661 -1 1 {} H 0.0 {0.646007972337 0.531791432663 0.57331304604} H3 1662 -1 1 {} H 0.0 {0.651004069024 0.546367744095 0.580861157341} H4 1663 -1 1 {} H 0.0 {0.673511218228 0.505794551827 0.583818843117} H5 1664 -1 1 {} H 0.0 {0.657435514055 0.507410876085 0.578039601469} H6 1665 -1 1 {} H 0.0 {0.676965894953 0.544178125957 0.573137591413} H7 1666 -1 1 {} H 0.0 {0.675907219406 0.528944674105 0.565299497353} H8 1667 -1 1 {} H 0.0 {0.706653071077 0.521885503666 0.595313250616} H9 1668 -1 1 {} H 0.0 {0.697573708172 0.529143635733 0.582691538707} H10 1669 -1 1 {} H 0.0 {0.685021351544 0.55702924756 0.594199036205} H11 1670 -1 1 {} H 0.0 {0.701463861932 0.552413338207 0.592502407582} H12 1671 -1 1 {} H 0.0 {0.70575682985 0.534409242033 0.621346719022} H13 1672 -1 1 {} H 0.0 {0.694859118872 0.521329312326 0.622625098038} H14 1673 -1 1 {} H 0.0 {0.619860589486 0.487595734308 0.647243724649} H15 1674 -1 1 {} H 0.0 {0.647696686133 0.481315796375 0.634385658689} H16 1675 -1 1 {} H 0.0 {0.650334829588 0.486383534871 0.617525429458} H17 1676 -1 1 {} H 0.0 {0.642021478999 0.471002637769 0.621003158074} H18 1677 -1 1 {} H 0.0 {0.623494625523 0.479882212435 0.60303210219} H19 1678 -1 1 {} H 0.0 {0.666376136123 0.500906975439 0.60001689313} H20 1679 -1 1 {} H 0.0 {0.651902160756 0.510057637569 0.5987415621} H21 1680 -1 1 {} H 0.0 {0.679475972348 0.508999129216 0.632783655666} H22 1681 -1 14 {} Si 0.0 {0.627703616135 0.650671306078 0.672436396271} Si1 1682 -1 8 {} O 0.0 {0.624148913709 0.647283652149 0.690165309292} O1 1683 -1 14 {} Si 0.0 {0.606081227759 0.649026933462 0.693143199084} Si2 1684 -1 8 {} O 0.0 {0.59918984435 0.661485236004 0.681491318544} O2 1685 -1 14 {} Si 0.0 {0.609350996051 0.676707549203 0.682628862846} Si3 1686 -1 7 {} N 0.0 {0.59943515496 0.691558762124 0.677512302518} N1 1687 -1 14 {} Si 0.0 {0.600585400792 0.703634997998 0.691460393514} Si4 1688 -1 14 {} Si 0.0 {0.581499126538 0.686639472282 0.676029551232} Si5 1689 -1 7 {} N 0.0 {0.59534034827 0.695312290119 0.707262472567} N2 1690 -1 7 {} N 0.0 {0.589468379928 0.718089192693 0.688030614826} N3 1691 -1 7 {} N 0.0 {0.618161991374 0.709459935815 0.693004148007} N4 1692 -1 7 {} N 0.0 {0.579565047356 0.668370271062 0.678830046351} N5 1693 -1 7 {} N 0.0 {0.571527792646 0.695926409404 0.688686804636} N6 1694 -1 7 {} N 0.0 {0.575381327335 0.690993311681 0.659010974156} N7 1695 -1 8 {} O 0.0 {0.64011520918 0.664195269685 0.67111900281} O3 1696 -1 6 {} C 0.0 {0.611829202512 0.655838716778 0.663761369467} C1 1697 -1 8 {} O 0.0 {0.634355213561 0.635463769719 0.664511230679} O4 1698 -1 7 {} N 0.0 {0.624211171447 0.67518540736 0.671564346398} N8 1699 -1 8 {} O 0.0 {0.614969777625 0.678884010692 0.700011629105} O5 1700 -1 1 {} H 0.0 {0.603863384127 0.65334186472 0.706594184099} H1 1701 -1 1 {} H 0.0 {0.599682687953 0.636463816268 0.691061290026} H2 1702 -1 1 {} H 0.0 {0.59232072281 0.702964618879 0.2538930706} H3 1703 -1 1 {} H 0.0 {0.60416848511 0.690813521032 0.251339429152} H4 1704 -1 1 {} H 0.0 {0.582899849454 0.715199984473 0.680146971346} H5 1705 -1 1 {} H 0.0 {0.595716218926 0.725902410216 0.684096910326} H6 1706 -1 1 {} H 0.0 {0.622740044873 0.703686405575 0.700696473085} H7 1707 -1 1 {} H 0.0 {0.617757342528 0.71958208104 0.696585849925} H8 1708 -1 1 {} H 0.0 {0.576049644671 0.664140885561 0.669693743222} H9 1709 -1 1 {} H 0.0 {0.571610238132 0.667186519451 0.685997468162} H10 1710 -1 1 {} H 0.0 {0.578319443217 0.699455646135 0.696096585426} H11 1711 -1 1 {} H 0.0 {0.565192366409 0.688709719644 0.693527367493} H12 1712 -1 1 {} H 0.0 {0.566032316363 0.695968300258 0.660185889121} H13 1713 -1 1 {} H 0.0 {0.573304048171 0.681706677851 0.654002766412} H14 1714 -1 1 {} H 0.0 {0.641090351772 0.667067257727 0.661063060778} H15 1715 -1 1 {} H 0.0 {0.609741363829 0.666309380635 0.665919257789} H16 1716 -1 1 {} H 0.0 {0.603574547646 0.649692184248 0.667327104304} H17 1717 -1 1 {} H 0.0 {0.612962267233 0.654507281441 0.653007350899} H18 1718 -1 1 {} H 0.0 {0.637350506868 0.637674612471 0.654695861049} H19 1719 -1 1 {} H 0.0 {0.632216438988 0.680395732461 0.676313326627} H20 1720 -1 1 {} H 0.0 {0.62193021375 0.680639554603 0.662572196443} H21 1721 -1 1 {} H 0.0 {0.612727405321 0.670220041442 0.705511217219} H22 1722 -1 14 {} Si 0.0 {0.288776805472 0.509198452701 0.432509117495} Si1 1723 -1 8 {} O 0.0 {0.303832525497 0.506163141619 0.422462680916} O1 1724 -1 14 {} Si 0.0 {0.312505914378 0.491397866026 0.42904331418} Si2 1725 -1 8 {} O 0.0 {0.330152520972 0.491955578163 0.424120808906} O2 1726 -1 14 {} Si 0.0 {0.338167596991 0.47629340383 0.429208146192} Si3 1727 -1 7 {} N 0.0 {0.353210392401 0.480027373973 0.439483274983} N1 1728 -1 14 {} Si 0.0 {0.364351116765 0.46535266197 0.437979958027} Si4 1729 -1 14 {} Si 0.0 {0.347717253985 0.480891702482 0.45722834606} Si5 1730 -1 7 {} N 0.0 {0.375919847221 0.467785625185 0.423632806316} N2 1731 -1 7 {} N 0.0 {0.353904779266 0.450340563515 0.43519664089} N3 1732 -1 7 {} N 0.0 {0.374158875 0.463210200023 0.453628331923} N4 1733 -1 7 {} N 0.0 {0.36184561731 0.475949766315 0.468281539133} N5 1734 -1 7 {} N 0.0 {0.342390527668 0.49826235852 0.461176414868} N6 1735 -1 7 {} N 0.0 {0.333453314141 0.469274600944 0.459949517291} N7 1736 -1 8 {} O 0.0 {0.293683574262 0.514979559788 0.449274099954} O3 1737 -1 6 {} C 0.0 {0.278965702557 0.49323097728 0.434006755912} C1 1738 -1 8 {} O 0.0 {0.278442410209 0.522026262818 0.424341584214} O4 1739 -1 7 {} N 0.0 {0.343149059457 0.466733937319 0.41405302469} N8 1740 -1 8 {} O 0.0 {0.326298488138 0.466312174322 0.439121513105} O5 1741 -1 1 {} H 0.0 {0.306454497799 0.479557370947 0.423772473393} H1 1742 -1 1 {} H 0.0 {0.31156642239 0.491280009922 0.44330943004} H2 1743 -1 1 {} H 0.0 {0.382474129945 0.459396608766 0.423395117895} H3 1744 -1 1 {} H 0.0 {0.381994995472 0.47635479123 0.425999536841} H4 1745 -1 1 {} H 0.0 {0.345125551742 0.453522915888 0.430071452935} H5 1746 -1 1 {} H 0.0 {0.350692161096 0.44706063272 0.444890439168} H6 1747 -1 1 {} H 0.0 {0.380960971576 0.471373390391 0.454242798324} H7 1748 -1 1 {} H 0.0 {0.380125879035 0.454337026021 0.4523305435} H8 1749 -1 1 {} H 0.0 {0.357826011325 0.469812256744 0.47599985758} H9 1750 -1 1 {} H 0.0 {0.365344776603 0.484908272985 0.473021476098} H10 1751 -1 1 {} H 0.0 {0.350056011845 0.502653830005 0.467100008371} H11 1752 -1 1 {} H 0.0 {0.333709319644 0.497471761044 0.467482125842} H12 1753 -1 1 {} H 0.0 {0.324851837272 0.475243545269 0.461933605648} H13 1754 -1 1 {} H 0.0 {0.335576802265 0.463862220865 0.469014010063} H14 1755 -1 1 {} H 0.0 {0.301803124873 0.509256550215 0.452698895261} H15 1756 -1 1 {} H 0.0 {0.280954833823 0.488637615068 0.443690554166} H16 1757 -1 1 {} H 0.0 {0.281936305603 0.486381272963 0.426060977253} H17 1758 -1 1 {} H 0.0 {0.728454174549 0.495409237926 0.433134988055} H18 1759 -1 1 {} H 0.0 {0.273101094224 0.517669227768 0.416422672135} H19 1760 -1 1 {} H 0.0 {0.349564919151 0.458916216835 0.417227395659} H20 1761 -1 1 {} H 0.0 {0.349134636853 0.47334477546 0.408059129539} H21 1762 -1 1 {} H 0.0 {0.317942897261 0.472206556265 0.441528436727} H22 1763 -1 14 {} Si 0.0 {0.475986914208 0.609427553689 0.364159996477} Si1 1764 -1 8 {} O 0.0 {0.465930842715 0.596415652731 0.356015538513} O1 1765 -1 14 {} Si 0.0 {0.448014202542 0.599406285618 0.359419820555} Si2 1766 -1 8 {} O 0.0 {0.446335596868 0.61112579709 0.373524295482} O2 1767 -1 14 {} Si 0.0 {0.430675635817 0.607847890429 0.382806613257} Si3 1768 -1 7 {} N 0.0 {0.424986630018 0.590310313421 0.37983562551} N1 1769 -1 14 {} Si 0.0 {0.410928820694 0.59083806895 0.367776389946} Si4 1770 -1 14 {} Si 0.0 {0.41778149339 0.583780175932 0.395700055178} Si5 1771 -1 7 {} N 0.0 {0.417254461533 0.587230816681 0.35069993558} N2 1772 -1 7 {} N 0.0 {0.402980414658 0.607634452171 0.368133416977} N3 1773 -1 7 {} N 0.0 {0.398395846032 0.577978177891 0.372656330282} N4 1774 -1 7 {} N 0.0 {0.411977894304 0.566339030802 0.392929459783} N5 1775 -1 7 {} N 0.0 {0.430646706619 0.584007703696 0.409087821153} N6 1776 -1 7 {} N 0.0 {0.403275198155 0.594293817122 0.400766510524} N7 1777 -1 8 {} O 0.0 {0.469366245212 0.6259745284 0.359645018106} O3 1778 -1 6 {} C 0.0 {0.493880300518 0.60806799377 0.35849523465} C1 1779 -1 8 {} O 0.0 {0.475149765199 0.607226292566 0.38239009596} O4 1780 -1 7 {} N 0.0 {0.417564277375 0.619729821723 0.377121258753} N8 1781 -1 8 {} O 0.0 {0.433739382237 0.610307841565 0.40076201541} O5 1782 -1 1 {} H 0.0 {0.441644514975 0.587032187761 0.36270714362} H1 1783 -1 1 {} H 0.0 {0.441840523481 0.605006264655 0.347780398919} H2 1784 -1 1 {} H 0.0 {0.411710535133 0.593299781531 0.343936442305} H3 1785 -1 1 {} H 0.0 {0.414616649808 0.577027839117 0.348536092312} H4 1786 -1 1 {} H 0.0 {0.39328077727 0.606451067356 0.372390495916} H5 1787 -1 1 {} H 0.0 {0.401494333504 0.610562688846 0.357893311743} H6 1788 -1 1 {} H 0.0 {0.392512002639 0.575860921298 0.364072556187} H7 1789 -1 1 {} H 0.0 {0.391828656426 0.58262446058 0.379813552846} H8 1790 -1 1 {} H 0.0 {0.405886971142 0.563674531547 0.401240236341} H9 1791 -1 1 {} H 0.0 {0.420707168838 0.560070820809 0.393372392026} H10 1792 -1 1 {} H 0.0 {0.43756685719 0.576208029571 0.406933937472} H11 1793 -1 1 {} H 0.0 {0.425644873015 0.581228871002 0.418204883942} H12 1794 -1 1 {} H 0.0 {0.407030396561 0.603974177639 0.40310556199} H13 1795 -1 1 {} H 0.0 {0.39951929707 0.590149367505 0.409970113018} H14 1796 -1 1 {} H 0.0 {0.474568610319 0.633371757863 0.364956827626} H15 1797 -1 1 {} H 0.0 {0.494207992639 0.607103939717 0.347644122203} H16 1798 -1 1 {} H 0.0 {0.498489046549 0.599305165957 0.36306457145} H17 1799 -1 1 {} H 0.0 {0.49931329523 0.617012145328 0.361501889727} H18 1800 -1 1 {} H 0.0 {0.483416202237 0.601607474107 0.385599315867} H19 1801 -1 1 {} H 0.0 {0.408574090318 0.617211460542 0.382250806849} H20 1802 -1 1 {} H 0.0 {0.415844553771 0.617673504336 0.366701577689} H21 1803 -1 1 {} H 0.0 {0.443342151579 0.61435222775 0.402125084477} H22 1804 -1 14 {} Si 0.0 {0.717225713736 0.566245671341 0.54175371667} Si1 1805 -1 8 {} O 0.0 {0.715982359122 0.581636235 0.551754501571} O1 1806 -1 14 {} Si 0.0 {0.718490212846 0.577577037777 0.569504163771} Si2 1807 -1 8 {} O 0.0 {0.712230268281 0.560638591155 0.572796107167} O2 1808 -1 14 {} Si 0.0 {0.723013066099 0.552395442783 0.58518508415} Si3 1809 -1 7 {} N 0.0 {0.715125753056 0.536270766469 0.590175990008} N1 1810 -1 14 {} Si 0.0 {0.71846479239 0.533112303441 0.608268803665} Si4 1811 -1 14 {} Si 0.0 {0.723530334961 0.52278243313 0.580429836642} Si5 1812 -1 7 {} N 0.0 {0.70855009645 0.518320056849 0.613659116771} N2 1813 -1 7 {} N 0.0 {0.713430949657 0.547930257893 0.618420379859} N3 1814 -1 7 {} N 0.0 {0.276389673394 0.529653712531 0.610878105236} N4 1815 -1 7 {} N 0.0 {0.281656690552 0.52287738071 0.583971738665} N5 1816 -1 7 {} N 0.0 {0.716404324896 0.506290406835 0.585187355409} N6 1817 -1 7 {} N 0.0 {0.720767235257 0.525711589902 0.562287881079} N7 1818 -1 8 {} O 0.0 {0.713683063056 0.551669636326 0.552411858082} O3 1819 -1 6 {} C 0.0 {0.274448812553 0.564777753448 0.534708868236} C1 1820 -1 8 {} O 0.0 {0.705047275026 0.56687278954 0.527985541226} O4 1821 -1 7 {} N 0.0 {0.725027550624 0.563473249254 0.599963192358} N8 1822 -1 8 {} O 0.0 {0.279349242102 0.549132738278 0.577676096025} O5 1823 -1 1 {} H 0.0 {0.711353793362 0.58694933423 0.577591176344} H1 1824 -1 1 {} H 0.0 {0.27229546289 0.578207726378 0.572634081267} H2 1825 -1 1 {} H 0.0 {0.712124874829 0.515425174655 0.62325369461} H3 1826 -1 1 {} H 0.0 {0.711034421556 0.510310625223 0.606910990706} H4 1827 -1 1 {} H 0.0 {0.720118822879 0.555803279862 0.616073812251} H5 1828 -1 1 {} H 0.0 {0.71524686563 0.545372289122 0.628727021239} H6 1829 -1 1 {} H 0.0 {0.277524294859 0.519063150263 0.611336025178} H7 1830 -1 1 {} H 0.0 {0.278852650679 0.533412357296 0.620660354142} H8 1831 -1 1 {} H 0.0 {0.286448277643 0.517734027151 0.575947240882} H9 1832 -1 1 {} H 0.0 {0.283124769812 0.51685648552 0.592764398988} H10 1833 -1 1 {} H 0.0 {0.72294073387 0.5019991666 0.59242747327} H11 1834 -1 1 {} H 0.0 {0.716997639255 0.500042914569 0.576445235676} H12 1835 -1 1 {} H 0.0 {0.725717818155 0.517881834583 0.557033013992} H13 1836 -1 1 {} H 0.0 {0.725948363943 0.534812908465 0.559817182738} H14 1837 -1 1 {} H 0.0 {0.716471896659 0.542895488877 0.547356771459} H15 1838 -1 1 {} H 0.0 {0.281567310988 0.563402328841 0.542847539251} H16 1839 -1 1 {} H 0.0 {0.276916946148 0.573863483071 0.52921884291} H17 1840 -1 1 {} H 0.0 {0.274925143185 0.556220546753 0.527977900419} H18 1841 -1 1 {} H 0.0 {0.708796347747 0.57295440654 0.520294358543} H19 1842 -1 1 {} H 0.0 {0.271526656203 0.558577739826 0.606716212317} H20 1843 -1 1 {} H 0.0 {0.715431666757 0.563932287471 0.604810136314} H21 1844 -1 1 {} H 0.0 {0.279576907412 0.553082935552 0.567942326557} H22 1845 -1 14 {} Si 0.0 {0.596265576406 0.641054586501 0.501833525876} Si1 1846 -1 8 {} O 0.0 {0.613578911656 0.645011847808 0.506223104997} O1 1847 -1 14 {} Si 0.0 {0.615486797443 0.641961567413 0.524457339035} Si2 1848 -1 8 {} O 0.0 {0.614754898247 0.658156856455 0.53385965667} O2 1849 -1 14 {} Si 0.0 {0.620477829958 0.671681682366 0.522513048569} Si3 1850 -1 7 {} N 0.0 {0.621367012078 0.688184138647 0.531442975091} N1 1851 -1 14 {} Si 0.0 {0.632995097985 0.687382927441 0.546064620683} Si4 1852 -1 14 {} Si 0.0 {0.604161628873 0.691455479175 0.53802142478} Si5 1853 -1 7 {} N 0.0 {0.632458167513 0.703763598379 0.554920438072} N2 1854 -1 7 {} N 0.0 {0.650441078337 0.684228714749 0.540352532695} N3 1855 -1 7 {} N 0.0 {0.627681226547 0.673964775855 0.557733300281} N4 1856 -1 7 {} N 0.0 {0.598988478799 0.708833470787 0.533878740499} N5 1857 -1 7 {} N 0.0 {0.592275619859 0.679491843681 0.530165554984} N6 1858 -1 7 {} N 0.0 {0.603878207976 0.689148098317 0.556468838902} N7 1859 -1 8 {} O 0.0 {0.592691412537 0.623845810423 0.507527985918} O3 1860 -1 6 {} C 0.0 {0.59313343884 0.642084658335 0.482894511815} C1 1861 -1 8 {} O 0.0 {0.58520587096 0.65308739508 0.510853600038} O4 1862 -1 7 {} N 0.0 {0.607922501015 0.673569347565 0.508804490075} N8 1863 -1 8 {} O 0.0 {0.636672057868 0.666580612321 0.515168855637} O5 1864 -1 1 {} H 0.0 {0.628052564648 0.635621025216 0.526934014904} H1 1865 -1 1 {} H 0.0 {0.604946271708 0.633408808611 0.5289241674} H2 1866 -1 1 {} H 0.0 {0.640586743849 0.709617149484 0.551251011441} H3 1867 -1 1 {} H 0.0 {0.63455384458 0.701766556217 0.565271975053} H4 1868 -1 1 {} H 0.0 {0.655060109033 0.693734269836 0.538933655613} H5 1869 -1 1 {} H 0.0 {0.649789243447 0.679707971998 0.530684207118} H6 1870 -1 1 {} H 0.0 {0.629488231261 0.677524025094 0.567634418639} H7 1871 -1 1 {} H 0.0 {0.634387653399 0.665714350179 0.556188434353} H8 1872 -1 1 {} H 0.0 {0.597791301119 0.714052759222 0.543095577288} H9 1873 -1 1 {} H 0.0 {0.589187039549 0.708156193692 0.529457607169} H10 1874 -1 1 {} H 0.0 {0.582805052445 0.684338098083 0.52960680779} H11 1875 -1 1 {} H 0.0 {0.591129612988 0.671309090729 0.537056096447} H12 1876 -1 1 {} H 0.0 {0.596249543186 0.682009205782 0.558632333173} H13 1877 -1 1 {} H 0.0 {0.600598064851 0.698489411254 0.560691841891} H14 1878 -1 1 {} H 0.0 {0.583243535772 0.623491541147 0.512048080165} H15 1879 -1 1 {} H 0.0 {0.586399000151 0.634049191626 0.479906391583} H16 1880 -1 1 {} H 0.0 {0.602551846741 0.641070751057 0.477455095177} H17 1881 -1 1 {} H 0.0 {0.588558298432 0.651681285036 0.48041302954} H18 1882 -1 1 {} H 0.0 {0.575801894197 0.653692484155 0.506126000622} H19 1883 -1 1 {} H 0.0 {0.60592876926 0.684005246595 0.507781220061} H20 1884 -1 1 {} H 0.0 {0.598777460098 0.669065423289 0.512305863942} H21 1885 -1 1 {} H 0.0 {0.635084689457 0.658863211773 0.508255937704} H22 1886 -1 14 {} Si 0.0 {0.440318405019 0.415706540923 0.368021021567} Si1 1887 -1 8 {} O 0.0 {0.451777687197 0.429989155976 0.368815594879} O1 1888 -1 14 {} Si 0.0 {0.468770634354 0.423365754985 0.370342556553} Si2 1889 -1 8 {} O 0.0 {0.478820930339 0.434042420867 0.381252702605} O2 1890 -1 14 {} Si 0.0 {0.492677222072 0.423912850385 0.387657754211} Si3 1891 -1 7 {} N 0.0 {0.491793802162 0.423238047429 0.406220814689} N1 1892 -1 14 {} Si 0.0 {0.499561462057 0.407226291588 0.411679179741} Si4 1893 -1 14 {} Si 0.0 {0.473814559999 0.422296210098 0.410833752581} Si5 1894 -1 7 {} N 0.0 {0.48685167682 0.393660673475 0.411069234974} N2 1895 -1 7 {} N 0.0 {0.50577517755 0.40906250921 0.429094682634} N3 1896 -1 7 {} N 0.0 {0.51372787744 0.402930390866 0.400449831206} N4 1897 -1 7 {} N 0.0 {0.470265005946 0.434427145318 0.424452187906} N5 1898 -1 7 {} N 0.0 {0.463337082081 0.426350611874 0.396021469372} N6 1899 -1 7 {} N 0.0 {0.469887095445 0.405081034754 0.416661095908} N7 1900 -1 8 {} O 0.0 {0.444987156303 0.403541451257 0.381006726406} O3 1901 -1 6 {} C 0.0 {0.441697951362 0.407591346096 0.351131991918} C1 1902 -1 8 {} O 0.0 {0.423058608598 0.421357371073 0.370779684622} O4 1903 -1 7 {} N 0.0 {0.508814525792 0.431374634068 0.382309053392} N8 1904 -1 8 {} O 0.0 {0.491274926467 0.406901819391 0.380814926817} O5 1905 -1 1 {} H 0.0 {0.474822873339 0.422672353022 0.357511302523} H1 1906 -1 1 {} H 0.0 {0.468167264179 0.410250247148 0.375931495445} H2 1907 -1 1 {} H 0.0 {0.489528355765 0.386488532027 0.418482758836} H3 1908 -1 1 {} H 0.0 {0.487990171591 0.388788044406 0.401543736546} H4 1909 -1 1 {} H 0.0 {0.499384693709 0.416045431319 0.433998449365} H5 1910 -1 1 {} H 0.0 {0.515452366095 0.413709378719 0.428440217515} H6 1911 -1 1 {} H 0.0 {0.509754194941 0.40184293382 0.390629856419} H7 1912 -1 1 {} H 0.0 {0.517184091112 0.393186780184 0.403450246008} H8 1913 -1 1 {} H 0.0 {0.460071140918 0.433126222969 0.427257927222} H9 1914 -1 1 {} H 0.0 {0.471017905737 0.444241560491 0.420107480614} H10 1915 -1 1 {} H 0.0 {0.458521603223 0.435645438066 0.398009929442} H11 1916 -1 1 {} H 0.0 {0.455572185635 0.418907632862 0.39561026133} H12 1917 -1 1 {} H 0.0 {0.459625228438 0.403262392664 0.41447009981} H13 1918 -1 1 {} H 0.0 {0.470765620295 0.405176388722 0.427381799597} H14 1919 -1 1 {} H 0.0 {0.450461017859 0.395709492841 0.376636553144} H15 1920 -1 1 {} H 0.0 {0.451559556063 0.403052745497 0.350080348532} H16 1921 -1 1 {} H 0.0 {0.440315427479 0.415107024411 0.34336229834} H17 1922 -1 1 {} H 0.0 {0.434042323004 0.399903974242 0.350161433942} H18 1923 -1 1 {} H 0.0 {0.416571608061 0.415786765043 0.364687056283} H19 1924 -1 1 {} H 0.0 {0.516570771252 0.425037412197 0.385924715919} H20 1925 -1 1 {} H 0.0 {0.509779851655 0.440708892814 0.387540002806} H21 1926 -1 1 {} H 0.0 {0.492100069279 0.407285720974 0.370341110937} H22 1927 -1 14 {} Si 0.0 {0.401967340803 0.723744057166 0.251471094299} Si1 1928 -1 8 {} O 0.0 {0.419868414686 0.723921442575 0.707390919189} O1 1929 -1 14 {} Si 0.0 {0.426924763476 0.707171737544 0.250224900208} Si2 1930 -1 8 {} O 0.0 {0.430961497765 0.705340885738 0.268062658837} O2 1931 -1 14 {} Si 0.0 {0.443854935748 0.692380935733 0.270239210652} Si3 1932 -1 7 {} N 0.0 {0.449111549408 0.692058488361 0.288020705943} N1 1933 -1 14 {} Si 0.0 {0.43362629814 0.690233275015 0.29821245798} Si4 1934 -1 14 {} Si 0.0 {0.456314496738 0.708779372314 0.291544448769} Si5 1935 -1 7 {} N 0.0 {0.421291808712 0.680160779759 0.288687780739} N2 1936 -1 7 {} N 0.0 {0.426411744068 0.706991929063 0.301808830222} N3 1937 -1 7 {} N 0.0 {0.437589324504 0.681641294652 0.31422922037} N4 1938 -1 7 {} N 0.0 {0.442570942204 0.72115830253 0.293391022362} N5 1939 -1 7 {} N 0.0 {0.466341881498 0.708162713639 0.307174044417} N6 1940 -1 7 {} N 0.0 {0.467241043107 0.7137348521 0.277330215647} N7 1941 -1 8 {} O 0.0 {0.392146981954 0.720279186613 0.69641085146} O3 1942 -1 6 {} C 0.0 {0.396878076599 0.280369815847 0.25857168743} C1 1943 -1 8 {} O 0.0 {0.398805279814 0.710599923447 0.263958027832} O4 1944 -1 7 {} N 0.0 {0.458550096916 0.69635824604 0.259561413035} N8 1945 -1 8 {} O 0.0 {0.437011832314 0.675985411624 0.265494280179} O5 1946 -1 1 {} H 0.0 {0.438799014627 0.70553233898 0.702563940936} H1 1947 -1 1 {} H 0.0 {0.417345396113 0.69723491025 0.706608569088} H2 1948 -1 1 {} H 0.0 {0.41187964517 0.685000312941 0.289662077674} H3 1949 -1 1 {} H 0.0 {0.420438074661 0.670714324121 0.293761564542} H4 1950 -1 1 {} H 0.0 {0.42609910192 0.712346985457 0.292609867355} H5 1951 -1 1 {} H 0.0 {0.433469994978 0.712106209139 0.308105187827} H6 1952 -1 1 {} H 0.0 {0.444613910869 0.673945249787 0.312040203023} H7 1953 -1 1 {} H 0.0 {0.428549160569 0.676725777293 0.317410813752} H8 1954 -1 1 {} H 0.0 {0.444831179237 0.269236704685 0.286986051901} H9 1955 -1 1 {} H 0.0 {0.443110216858 0.724890971511 0.303458512493} H10 1956 -1 1 {} H 0.0 {0.46086632749 0.702348051227 0.314215157694} H11 1957 -1 1 {} H 0.0 {0.466626058321 0.718199214724 0.311044845524} H12 1958 -1 1 {} H 0.0 {0.473790931359 0.721336003852 0.280862469509} H13 1959 -1 1 {} H 0.0 {0.460856072928 0.718344724099 0.269990358603} H14 1960 -1 1 {} H 0.0 {0.395078691312 0.711041341465 0.692388464846} H15 1961 -1 1 {} H 0.0 {0.395710587883 0.287695578097 0.250561711679} H16 1962 -1 1 {} H 0.0 {0.404545642577 0.283842249502 0.265514322365} H17 1963 -1 1 {} H 0.0 {0.387385747002 0.279238589461 0.263774959725} H18 1964 -1 1 {} H 0.0 {0.407612604232 0.708733152859 0.269357607358} H19 1965 -1 1 {} H 0.0 {0.467095568575 0.696646321238 0.265936189736} H20 1966 -1 1 {} H 0.0 {0.457104158879 0.706384309018 0.255935174971} H21 1967 -1 1 {} H 0.0 {0.429253646285 0.677329300549 0.258550483979} H22 1968 -1 14 {} Si 0.0 {0.556413217555 0.289237548863 0.428443360384} Si1 1969 -1 8 {} O 0.0 {0.557191203145 0.284196139932 0.446114996894} O1 1970 -1 14 {} Si 0.0 {0.549679122062 0.267476510988 0.448133081252} Si2 1971 -1 8 {} O 0.0 {0.532091625918 0.267678753458 0.442505031641} O2 1972 -1 14 {} Si 0.0 {0.528023153696 0.711332191114 0.435341885264} Si3 1973 -1 7 {} N 0.0 {0.50997114491 0.707344658596 0.43791267417} N1 1974 -1 14 {} Si 0.0 {0.505111434214 0.694820909238 0.42495996755} Si4 1975 -1 14 {} Si 0.0 {0.500077466164 0.722787549807 0.434617077499} Si5 1976 -1 7 {} N 0.0 {0.52043901868 0.688266800125 0.416568777148} N2 1977 -1 7 {} N 0.0 {0.494090024597 0.702866915558 0.412282793651} N3 1978 -1 7 {} N 0.0 {0.495904238449 0.680838955171 0.43311445728} N4 1979 -1 7 {} N 0.0 {0.482256174719 0.719649108603 0.43892134466} N5 1980 -1 7 {} N 0.0 {0.506579643611 0.276599013354 0.445039424607} N6 1981 -1 7 {} N 0.0 {0.501366184912 0.267230394133 0.416653697483} N7 1982 -1 8 {} O 0.0 {0.540125186625 0.284388332546 0.421533811433} O3 1983 -1 6 {} C 0.0 {0.570155924463 0.280739362523 0.418758922328} C1 1984 -1 8 {} O 0.0 {0.558430363949 0.307485614914 0.427179975688} O4 1985 -1 7 {} N 0.0 {0.538413448709 0.698401747161 0.443723424815} N8 1986 -1 8 {} O 0.0 {0.531752453728 0.71138864317 0.417386120192} O5 1987 -1 1 {} H 0.0 {0.550206791444 0.72380793813 0.46190564209} H1 1988 -1 1 {} H 0.0 {0.557023698831 0.718138391237 0.440324870286} H2 1989 -1 1 {} H 0.0 {0.517281998317 0.68128305116 0.409135993356} H3 1990 -1 1 {} H 0.0 {0.525855980186 0.682633406755 0.423968166156} H4 1991 -1 1 {} H 0.0 {0.48544728644 0.706395473097 0.417387144995} H5 1992 -1 1 {} H 0.0 {0.490752472687 0.695046563448 0.405687657002} H6 1993 -1 1 {} H 0.0 {0.502618032781 0.672622650418 0.43389335069} H7 1994 -1 1 {} H 0.0 {0.488149840619 0.67783841979 0.426286300082} H8 1995 -1 1 {} H 0.0 {0.476308097251 0.724965603063 0.43186266943} H9 1996 -1 1 {} H 0.0 {0.480533188262 0.72427015418 0.448480816661} H10 1997 -1 1 {} H 0.0 {0.498143474417 0.281929678631 0.448788988765} H11 1998 -1 1 {} H 0.0 {0.511710610687 0.283298464926 0.438366837584} H12 1999 -1 1 {} H 0.0 {0.511725766513 0.268092488516 0.414352830936} H13 2000 -1 1 {} H 0.0 {0.497176211609 0.277101936029 0.415680866463} H14 2001 -1 1 {} H 0.0 {0.535373662619 0.277760631513 0.428131558352} H15 2002 -1 1 {} H 0.0 {0.569383825833 0.283429276346 0.408225494968} H16 2003 -1 1 {} H 0.0 {0.569214916839 0.269937523216 0.419814907398} H17 2004 -1 1 {} H 0.0 {0.57983726116 0.283938179196 0.422611525947} H18 2005 -1 1 {} H 0.0 {0.568652314128 0.309834308962 0.42660844036} H19 2006 -1 1 {} H 0.0 {0.532037337237 0.690165583584 0.445927201706} H20 2007 -1 1 {} H 0.0 {0.541444674004 0.702549534831 0.45318757196} H21 2008 -1 1 {} H 0.0 {0.534038036388 0.70162717757 0.4142853373} H22 2009 -1 14 {} Si 0.0 {0.687757854583 0.462936251504 0.600993785286} Si1 2010 -1 8 {} O 0.0 {0.67338226047 0.475716488196 0.605405948531} O1 2011 -1 14 {} Si 0.0 {0.656306955883 0.468159024447 0.611848400443} Si2 2012 -1 8 {} O 0.0 {0.65329604361 0.467632577196 0.631301789679} O2 2013 -1 14 {} Si 0.0 {0.66226348048 0.453325356245 0.640889501844} Si3 2014 -1 7 {} N 0.0 {0.651005509778 0.443418919888 0.652337375661} N1 2015 -1 14 {} Si 0.0 {0.656605156104 0.425566889591 0.651368102466} Si4 2016 -1 14 {} Si 0.0 {0.633576114733 0.443861189709 0.646044482574} Si5 2017 -1 7 {} N 0.0 {0.671087462542 0.422818027915 0.662713154774} N2 2018 -1 7 {} N 0.0 {0.661687395577 0.421620027732 0.633906858185} N3 2019 -1 7 {} N 0.0 {0.642689658075 0.414340841871 0.656477594734} N4 2020 -1 7 {} N 0.0 {0.626789996333 0.426538785509 0.645466888222} N5 2021 -1 7 {} N 0.0 {0.623131257816 0.454064094566 0.657649311915} N6 2022 -1 7 {} N 0.0 {0.633287240652 0.451177285099 0.629044645772} N7 2023 -1 8 {} O 0.0 {0.682600862515 0.445803402443 0.605249804705} O3 2024 -1 6 {} C 0.0 {0.703975169761 0.467195742108 0.610109246542} C1 2025 -1 8 {} O 0.0 {0.692483613391 0.4634633885 0.582890999505} O4 2026 -1 7 {} N 0.0 {0.675390686736 0.461184931111 0.651565352473} N8 2027 -1 8 {} O 0.0 {0.670236069189 0.441585835106 0.628934379816} O5 2028 -1 1 {} H 0.0 {0.654394646593 0.45552473225 0.606768325734} H1 2029 -1 1 {} H 0.0 {0.645998342245 0.476440909016 0.606326011206} H2 2030 -1 1 {} H 0.0 {0.679355333029 0.419920049502 0.656627661824} H3 2031 -1 1 {} H 0.0 {0.668643340219 0.414270157063 0.668805657426} H4 2032 -1 1 {} H 0.0 {0.652912201835 0.418628973748 0.628645077359} H5 2033 -1 1 {} H 0.0 {0.668081941906 0.412952925101 0.634426442941} H6 2034 -1 1 {} H 0.0 {0.639871608848 0.417112685673 0.666377581979} H7 2035 -1 1 {} H 0.0 {0.646829647707 0.404417292969 0.657147208978} H8 2036 -1 1 {} H 0.0 {0.61753915422 0.426942071318 0.640188512319} H9 2037 -1 1 {} H 0.0 {0.624400672081 0.423821694286 0.655612381317} H10 2038 -1 1 {} H 0.0 {0.628223059432 0.454416935675 0.667002399899} H11 2039 -1 1 {} H 0.0 {0.614053666344 0.448522732527 0.659312900921} H12 2040 -1 1 {} H 0.0 {0.62897930219 0.443899887134 0.622600806207} H13 2041 -1 1 {} H 0.0 {0.643528815617 0.452273438367 0.625996925081} H14 2042 -1 1 {} H 0.0 {0.691172833296 0.439671936092 0.606020402113} H15 2043 -1 1 {} H 0.0 {0.702750176408 0.466221181564 0.620681012565} H16 2044 -1 1 {} H 0.0 {0.706874228197 0.477441440644 0.607741790561} H17 2045 -1 1 {} H 0.0 {0.711849804528 0.460400012201 0.606786657981} H18 2046 -1 1 {} H 0.0 {0.702972251136 0.46395607695 0.58203263421} H19 2047 -1 1 {} H 0.0 {0.679884570012 0.453457461948 0.657220478982} H20 2048 -1 1 {} H 0.0 {0.670231389257 0.467499123317 0.65858628942} H21 2049 -1 1 {} H 0.0 {0.670128400808 0.445697387465 0.619232177462} H22 2050 -1 14 {} Si 0.0 {0.675486627004 0.303275061918 0.468086879871} Si1 2051 -1 8 {} O 0.0 {0.665814649902 0.299684946268 0.483403365028} O1 2052 -1 14 {} Si 0.0 {0.648552279652 0.294689059604 0.479075520205} Si2 2053 -1 8 {} O 0.0 {0.638614928982 0.309763078785 0.475805377637} O2 2054 -1 14 {} Si 0.0 {0.621159253966 0.30911025238 0.482569018167} Si3 2055 -1 7 {} N 0.0 {0.61625461021 0.292713102073 0.490710732176} N1 2056 -1 14 {} Si 0.0 {0.630825125222 0.283966521849 0.498116230462} Si4 2057 -1 14 {} Si 0.0 {0.608887446743 0.281597881254 0.47774911338} Si5 2058 -1 7 {} N 0.0 {0.624927356685 0.273079004233 0.511993369806} N2 2059 -1 7 {} N 0.0 {0.642864712242 0.296420202485 0.504769884132} N3 2060 -1 7 {} N 0.0 {0.639104570052 0.273394486101 0.48515118276} N4 2061 -1 7 {} N 0.0 {0.620416814921 0.267427108985 0.474341889238} N5 2062 -1 7 {} N 0.0 {0.592679994112 0.274975375414 0.48403522274} N6 2063 -1 7 {} N 0.0 {0.606010429162 0.291225677092 0.462134074106} N7 2064 -1 8 {} O 0.0 {0.686303718073 0.317902228136 0.47086097244} O3 2065 -1 6 {} C 0.0 {0.663754001535 0.306857344399 0.453865157809} C1 2066 -1 8 {} O 0.0 {0.685942229438 0.288737855371 0.463943136612} O4 2067 -1 7 {} N 0.0 {0.609470335444 0.312423228136 0.468490652729} N8 2068 -1 8 {} O 0.0 {0.619233579426 0.322541196337 0.494995792059} O5 2069 -1 1 {} H 0.0 {0.643006828835 0.287519647707 0.489815955212} H1 2070 -1 1 {} H 0.0 {0.648739965403 0.28646210421 0.467386598661} H2 2071 -1 1 {} H 0.0 {0.633504763754 0.270139997585 0.517576138137} H3 2072 -1 1 {} H 0.0 {0.62101604733 0.724265272481 0.507447122539} H4 2073 -1 1 {} H 0.0 {0.63822821696 0.305980984245 0.504062075949} H5 2074 -1 1 {} H 0.0 {0.651169272596 0.296546717354 0.49800882852} H6 2075 -1 1 {} H 0.0 {0.63608380703 0.723450456073 0.486892387963} H7 2076 -1 1 {} H 0.0 {0.649688991591 0.273787677538 0.487121357106} H8 2077 -1 1 {} H 0.0 {0.618675836481 0.724417928041 0.464309894694} H9 2078 -1 1 {} H 0.0 {0.617269718584 0.719436216086 0.480675915928} H10 2079 -1 1 {} H 0.0 {0.594388212711 0.271306590361 0.493908171759} H11 2080 -1 1 {} H 0.0 {0.590269904606 0.726561112018 0.477975349542} H12 2081 -1 1 {} H 0.0 {0.596375563367 0.288501544178 0.458484394918} H13 2082 -1 1 {} H 0.0 {0.613141236025 0.287623922966 0.454938047984} H14 2083 -1 1 {} H 0.0 {0.684635634882 0.321711621123 0.480478346131} H15 2084 -1 1 {} H 0.0 {0.659979446343 0.317030227709 0.454733427282} H16 2085 -1 1 {} H 0.0 {0.655458200175 0.299910740972 0.454218562857} H17 2086 -1 1 {} H 0.0 {0.669061806574 0.305740332233 0.444396215262} H18 2087 -1 1 {} H 0.0 {0.68115638782 0.283001115279 0.456616589496} H19 2088 -1 1 {} H 0.0 {0.600562507764 0.306925230372 0.470405924647} H20 2089 -1 1 {} H 0.0 {0.613929771788 0.308083537658 0.459697012203} H21 2090 -1 1 {} H 0.0 {0.621903871845 0.331719204129 0.490654859493} H22 2091 -1 14 {} Si 0.0 {0.548862017849 0.59830613446 0.652016775254} Si1 2092 -1 8 {} O 0.0 {0.556281239756 0.581865736475 0.648655515221} O1 2093 -1 14 {} Si 0.0 {0.543515292843 0.568751746379 0.650351653018} Si2 2094 -1 8 {} O 0.0 {0.551677544735 0.552373987819 0.648877185742} O2 2095 -1 14 {} Si 0.0 {0.540290546312 0.540576960658 0.640711589365} Si3 2096 -1 7 {} N 0.0 {0.54642839789 0.536845036709 0.623558285119} N1 2097 -1 14 {} Si 0.0 {0.550750514211 0.553054555927 0.615474277044} Si4 2098 -1 14 {} Si 0.0 {0.532130947278 0.529638210451 0.614240963924} Si5 2099 -1 7 {} N 0.0 {0.541101220966 0.554970393122 0.59969018601} N2 2100 -1 7 {} N 0.0 {0.568937073927 0.553372663733 0.611614866686} N3 2101 -1 7 {} N 0.0 {0.54657655028 0.56702762172 0.626998695531} N4 2102 -1 7 {} N 0.0 {0.536609113979 0.512633370196 0.608201140275} N5 2103 -1 7 {} N 0.0 {0.517430780804 0.528568980091 0.625572254285} N6 2104 -1 7 {} N 0.0 {0.528066782624 0.540523684011 0.599752805663} N7 2105 -1 8 {} O 0.0 {0.544889390013 0.606557457015 0.636067144858} O3 2106 -1 6 {} C 0.0 {0.561172966382 0.608756632667 0.66162896744} C1 2107 -1 8 {} O 0.0 {0.5334783234 0.596267836881 0.661898768377} O4 2108 -1 7 {} N 0.0 {0.52326183784 0.54801400796 0.639752263406} N8 2109 -1 8 {} O 0.0 {0.539666323023 0.525040314266 0.650506507136} O5 2110 -1 1 {} H 0.0 {0.533728566095 0.570198999798 0.640031306652} H1 2111 -1 1 {} H 0.0 {0.537154240064 0.569803214528 0.663126554457} H2 2112 -1 1 {} H 0.0 {0.547852061775 0.553196766832 0.59162941903} H3 2113 -1 1 {} H 0.0 {0.538246738138 0.56533118871 0.599060351655} H4 2114 -1 1 {} H 0.0 {0.573049914125 0.544151303393 0.615021883689} H5 2115 -1 1 {} H 0.0 {0.573261925778 0.561106449828 0.617719966479} H6 2116 -1 1 {} H 0.0 {0.542069762439 0.574711078786 0.621147360336} H7 2117 -1 1 {} H 0.0 {0.555919933794 0.570977726133 0.630567750351} H8 2118 -1 1 {} H 0.0 {0.533323434674 0.511902660558 0.598100897208} H9 2119 -1 1 {} H 0.0 {0.530669762858 0.505684786924 0.613860813385} H10 2120 -1 1 {} H 0.0 {0.518865651354 0.520049106183 0.631814878855} H11 2121 -1 1 {} H 0.0 {0.508907832311 0.526439117802 0.619387131121} H12 2122 -1 1 {} H 0.0 {0.517709411128 0.539244296492 0.597653251522} H13 2123 -1 1 {} H 0.0 {0.533421961141 0.536542931194 0.591313541146} H14 2124 -1 1 {} H 0.0 {0.543235796087 0.599258954993 0.628689745734} H15 2125 -1 1 {} H 0.0 {0.562338522926 0.618420059713 0.656741016256} H16 2126 -1 1 {} H 0.0 {0.570802595423 0.603648198184 0.661927342055} H17 2127 -1 1 {} H 0.0 {0.557531110281 0.610232980842 0.671791590746} H18 2128 -1 1 {} H 0.0 {0.533325150496 0.603390164783 0.669617075463} H19 2129 -1 1 {} H 0.0 {0.516266930244 0.540043291452 0.640797640901} H20 2130 -1 1 {} H 0.0 {0.522106024486 0.55181019347 0.629747786754} H21 2131 -1 1 {} H 0.0 {0.546579105794 0.525631751348 0.658397768863} H22 2132 -1 14 {} Si 0.0 {0.524297227471 0.633800939354 0.578502002568} Si1 2133 -1 8 {} O 0.0 {0.522379346834 0.652053732237 0.580134321139} O1 2134 -1 14 {} Si 0.0 {0.53056125444 0.65838925553 0.5954991212} Si2 2135 -1 8 {} O 0.0 {0.54286980786 0.646296139964 0.601735539011} O2 2136 -1 14 {} Si 0.0 {0.559562947095 0.654141463493 0.602025350078} Si3 2137 -1 7 {} N 0.0 {0.571788273964 0.642109134487 0.608991078487} N1 2138 -1 14 {} Si 0.0 {0.580978327694 0.634589240483 0.594592553451} Si4 2139 -1 14 {} Si 0.0 {0.561771486465 0.628768899538 0.617105749898} Si5 2140 -1 7 {} N 0.0 {0.586647938175 0.617413893094 0.598950679374} N2 2141 -1 7 {} N 0.0 {0.595771256371 0.645129355589 0.590594541439} N3 2142 -1 7 {} N 0.0 {0.56977242937 0.633818589251 0.579798567514} N4 2143 -1 7 {} N 0.0 {0.560575425403 0.614080063795 0.605739606236} N5 2144 -1 7 {} N 0.0 {0.569798207648 0.623812916822 0.633163191091} N6 2145 -1 7 {} N 0.0 {0.544714563137 0.63533175324 0.620527033049} N7 2146 -1 8 {} O 0.0 {0.530615557809 0.626643578306 0.594223304605} O3 2147 -1 6 {} C 0.0 {0.53627403572 0.630057441267 0.564485429511} C1 2148 -1 8 {} O 0.0 {0.507950918253 0.626378225767 0.574569539101} O4 2149 -1 7 {} N 0.0 {0.559204699303 0.669365209209 0.612710121711} N8 2150 -1 8 {} O 0.0 {0.564458003885 0.658685404076 0.584902952992} O5 2151 -1 1 {} H 0.0 {0.520654404494 0.660717581739 0.605548059117} H1 2152 -1 1 {} H 0.0 {0.537222906551 0.670650973139 0.592523664683} H2 2153 -1 1 {} H 0.0 {0.597143593443 0.617892676895 0.60068367861} H3 2154 -1 1 {} H 0.0 {0.585287359895 0.611406041928 0.590141883892} H4 2155 -1 1 {} H 0.0 {0.592424571397 0.655236763496 0.590161711222} H5 2156 -1 1 {} H 0.0 {0.59884153259 0.642490636304 0.580628789514} H6 2157 -1 1 {} H 0.0 {0.570567425682 0.623995806906 0.575753109574} H7 2158 -1 1 {} H 0.0 {0.573912008151 0.640496177133 0.572451534016} H8 2159 -1 1 {} H 0.0 {0.559589331492 0.605403929916 0.611831007119} H9 2160 -1 1 {} H 0.0 {0.570052937082 0.613264336054 0.600743366997} H10 2161 -1 1 {} H 0.0 {0.562532919154 0.618403884677 0.638786680522} H11 2162 -1 1 {} H 0.0 {0.571715121856 0.632903082693 0.638590759371} H12 2163 -1 1 {} H 0.0 {0.542420163367 0.633056004719 0.630668347568} H13 2164 -1 1 {} H 0.0 {0.537926834613 0.629591868287 0.614481442294} H14 2165 -1 1 {} H 0.0 {0.538894530163 0.632125108961 0.59746943369} H15 2166 -1 1 {} H 0.0 {0.545481873836 0.62589820595 0.568555743593} H16 2167 -1 1 {} H 0.0 {0.538517569342 0.639254822247 0.559086410958} H17 2168 -1 1 {} H 0.0 {0.531733698788 0.622861110956 0.557653592023} H18 2169 -1 1 {} H 0.0 {0.506181354984 0.627097704121 0.564252626788} H19 2170 -1 1 {} H 0.0 {0.567655186001 0.668850842836 0.619209281883} H20 2171 -1 1 {} H 0.0 {0.550492537159 0.668547027612 0.61896539757} H21 2172 -1 1 {} H 0.0 {0.569512681163 0.667865911901 0.585048117161} H22 2173 -1 14 {} Si 0.0 {0.597535913084 0.670475852996 0.443123721176} Si1 2174 -1 8 {} O 0.0 {0.593603262585 0.673134886875 0.425423849773} O1 2175 -1 14 {} Si 0.0 {0.58406201886 0.658706051594 0.419268174801} Si2 2176 -1 8 {} O 0.0 {0.579004861879 0.661693924076 0.401918500057} O2 2177 -1 14 {} Si 0.0 {0.591062519672 0.673064068705 0.394042069946} Si3 2178 -1 7 {} N 0.0 {0.605574911433 0.663389283361 0.387464883134} N1 2179 -1 14 {} Si 0.0 {0.605917270923 0.646573941565 0.395549577047} Si4 2180 -1 14 {} Si 0.0 {0.620913773255 0.672275964186 0.392773119264} Si5 2181 -1 7 {} N 0.0 {0.618507931318 0.636015678041 0.386846547018} N2 2182 -1 7 {} N 0.0 {0.589188010568 0.638592346842 0.394225171514} N3 2183 -1 7 {} N 0.0 {0.610675839311 0.648198538218 0.413478252793} N4 2184 -1 7 {} N 0.0 {0.633041911234 0.672376859542 0.378609293827} N5 2185 -1 7 {} N 0.0 {0.616527984807 0.689699739998 0.397598735091} N6 2186 -1 7 {} N 0.0 {0.628386816409 0.663517459136 0.407394166816} N7 2187 -1 8 {} O 0.0 {0.584113538967 0.660553993139 0.450859446802} O3 2188 -1 6 {} C 0.0 {0.598910349123 0.687065321805 0.451830565636} C1 2189 -1 8 {} O 0.0 {0.613478767249 0.661418031706 0.444524451587} O4 2190 -1 7 {} N 0.0 {0.597047612812 0.685485132652 0.406552762593} N8 2191 -1 8 {} O 0.0 {0.582888789398 0.681930091343 0.380156919143} O5 2192 -1 1 {} H 0.0 {0.572459528799 0.656847305693 0.427400156261} H1 2193 -1 1 {} H 0.0 {0.592206593512 0.647021235421 0.419871183262} H2 2194 -1 1 {} H 0.0 {0.62218093867 0.628973667802 0.393938435674} H3 2195 -1 1 {} H 0.0 {0.626768945115 0.642479088616 0.384387881552} H4 2196 -1 1 {} H 0.0 {0.583244584558 0.644746721534 0.387893446821} H5 2197 -1 1 {} H 0.0 {0.584755405026 0.63907288271 0.404015108616} H6 2198 -1 1 {} H 0.0 {0.621069589249 0.645914246779 0.414199226102} H7 2199 -1 1 {} H 0.0 {0.605487641527 0.640394857576 0.418766141553} H8 2200 -1 1 {} H 0.0 {0.6398942349 0.664404194557 0.380263584744} H9 2201 -1 1 {} H 0.0 {0.638703422482 0.681518527958 0.379370689586} H10 2202 -1 1 {} H 0.0 {0.622272339582 0.696214422066 0.391515758199} H11 2203 -1 1 {} H 0.0 {0.619986609491 0.691077416345 0.407702123913} H12 2204 -1 1 {} H 0.0 {0.631582872163 0.671004744189 0.414277881846} H13 2205 -1 1 {} H 0.0 {0.637277830721 0.658619522635 0.403850011523} H14 2206 -1 1 {} H 0.0 {0.587103551336 0.657500082341 0.460430481203} H15 2207 -1 1 {} H 0.0 {0.599378552952 0.685481581585 0.462601032031} H16 2208 -1 1 {} H 0.0 {0.590197829539 0.693158989318 0.449429232631} H17 2209 -1 1 {} H 0.0 {0.607946433312 0.692175670602 0.448510508045} H18 2210 -1 1 {} H 0.0 {0.619340076355 0.663340753515 0.436017742483} H19 2211 -1 1 {} H 0.0 {0.600119499287 0.694170151555 0.401166172572} H20 2212 -1 1 {} H 0.0 {0.605924503044 0.6813521104 0.411011838003} H21 2213 -1 1 {} H 0.0 {0.573849629437 0.68607607602 0.383503890943} H22 2214 -1 14 {} Si 0.0 {0.70645572939 0.642610452222 0.469262760106} Si1 2215 -1 8 {} O 0.0 {0.719010785167 0.65080030251 0.458764870078} O1 2216 -1 14 {} Si 0.0 {0.271744452493 0.657950624607 0.469692715552} Si2 2217 -1 8 {} O 0.0 {0.288100145387 0.656609035721 0.46157321358} O2 2218 -1 14 {} Si 0.0 {0.293733982667 0.639091738134 0.461776970301} Si3 2219 -1 7 {} N 0.0 {0.307605787572 0.63728558272 0.449554956971} N1 2220 -1 14 {} Si 0.0 {0.306648129373 0.62050069804 0.441629136942} Si4 2221 -1 14 {} Si 0.0 {0.323504484981 0.638027828715 0.459074976387} Si5 2222 -1 7 {} N 0.0 {0.289492397478 0.613590710995 0.443341983626} N2 2223 -1 7 {} N 0.0 {0.318819440023 0.609103848927 0.449832909438} N3 2224 -1 7 {} N 0.0 {0.310890514366 0.62211351592 0.423593033148} N4 2225 -1 7 {} N 0.0 {0.33705119555 0.63046336912 0.448788144654} N5 2226 -1 7 {} N 0.0 {0.32740687601 0.655842162694 0.46287038894} N6 2227 -1 7 {} N 0.0 {0.321827205038 0.628537495635 0.474994310441} N7 2228 -1 8 {} O 0.0 {0.692198087016 0.637433638619 0.458984135214} O3 2229 -1 6 {} C 0.0 {0.700625538838 0.65466589877 0.482390339929} C1 2230 -1 8 {} O 0.0 {0.713941911805 0.627880468191 0.477333142897} O4 2231 -1 7 {} N 0.0 {0.279625869716 0.627879167031 0.457161139143} N8 2232 -1 8 {} O 0.0 {0.299743902212 0.634781643587 0.478636999015} O5 2233 -1 1 {} H 0.0 {0.271964435411 0.650785974447 0.482061794089} H1 2234 -1 1 {} H 0.0 {0.728896816478 0.671706453733 0.472197640564} H2 2235 -1 1 {} H 0.0 {0.290403978249 0.602974583428 0.443763844766} H3 2236 -1 1 {} H 0.0 {0.28433577578 0.615850112222 0.434170080471} H4 2237 -1 1 {} H 0.0 {0.319414479466 0.611970260417 0.460076675019} H5 2238 -1 1 {} H 0.0 {0.328437120193 0.611235277519 0.445495074499} H6 2239 -1 1 {} H 0.0 {0.301717493041 0.622181115524 0.418179160644} H7 2240 -1 1 {} H 0.0 {0.316033005918 0.613092470617 0.420806376398} H8 2241 -1 1 {} H 0.0 {0.345118821638 0.628118949008 0.455343558946} H9 2242 -1 1 {} H 0.0 {0.340574521022 0.638157312726 0.442156211165} H10 2243 -1 1 {} H 0.0 {0.333670706507 0.65947764579 0.455061235787} H11 2244 -1 1 {} H 0.0 {0.333317966901 0.655888252214 0.471880570037} H12 2245 -1 1 {} H 0.0 {0.324348506168 0.635206718675 0.482926909686} H13 2246 -1 1 {} H 0.0 {0.329450653339 0.620930342133 0.474865698299} H14 2247 -1 1 {} H 0.0 {0.684835271178 0.633191505124 0.465156285981} H15 2248 -1 1 {} H 0.0 {0.6925576503 0.660787590745 0.478363743598} H16 2249 -1 1 {} H 0.0 {0.708922530387 0.661082600659 0.485357923655} H17 2250 -1 1 {} H 0.0 {0.697024150817 0.649136859223 0.491051578893} H18 2251 -1 1 {} H 0.0 {0.720183355544 0.631009674296 0.485180122865} H19 2252 -1 1 {} H 0.0 {0.282887347092 0.617859910599 0.458774438724} H20 2253 -1 1 {} H 0.0 {0.278152526397 0.628960749392 0.446567836413} H21 2254 -1 1 {} H 0.0 {0.292100573821 0.636555045449 0.485628414191} H22 2255 -1 14 {} Si 0.0 {0.444757442665 0.400829021344 0.63749231213} Si1 2256 -1 8 {} O 0.0 {0.453638739203 0.396580852389 0.621969207652} O1 2257 -1 14 {} Si 0.0 {0.463074901568 0.381029778166 0.62439583871} Si2 2258 -1 8 {} O 0.0 {0.4810193885 0.384837311574 0.625698570639} O2 2259 -1 14 {} Si 0.0 {0.489084377492 0.371672743994 0.635497185354} Si3 2260 -1 7 {} N 0.0 {0.486087086475 0.374849945695 0.65349871834} N1 2261 -1 14 {} Si 0.0 {0.473598954801 0.362342078728 0.659141107894} Si4 2262 -1 14 {} Si 0.0 {0.478338641495 0.391750212304 0.65496160967} Si5 2263 -1 7 {} N 0.0 {0.461068890892 0.370429681866 0.670236137469} N2 2264 -1 7 {} N 0.0 {0.482403983592 0.348918918025 0.668422111194} N3 2265 -1 7 {} N 0.0 {0.46499027615 0.355056049916 0.644334800169} N4 2266 -1 7 {} N 0.0 {0.477080525188 0.399531419722 0.638121355813} N5 2267 -1 7 {} N 0.0 {0.461364536242 0.39025441969 0.66230698512} N6 2268 -1 7 {} N 0.0 {0.488889530693 0.402425786715 0.665915396794} N7 2269 -1 8 {} O 0.0 {0.456596649653 0.408057073064 0.649613307903} O3 2270 -1 6 {} C 0.0 {0.437084439404 0.385240367838 0.644644425648} C1 2271 -1 8 {} O 0.0 {0.431512802371 0.413074024863 0.633832745234} O4 2272 -1 7 {} N 0.0 {0.507379670597 0.371516818941 0.632130745206} N8 2273 -1 8 {} O 0.0 {0.481836224214 0.355443828665 0.630815277506} O5 2274 -1 1 {} H 0.0 {0.460851174243 0.372326733849 0.613283627184} H1 2275 -1 1 {} H 0.0 {0.458699578844 0.374643745517 0.636413350699} H2 2276 -1 1 {} H 0.0 {0.466442979969 0.375891452647 0.677625240661} H3 2277 -1 1 {} H 0.0 {0.45595690229 0.362486778417 0.675406309776} H4 2278 -1 1 {} H 0.0 {0.486546577846 0.353364167327 0.6771783344} H5 2279 -1 1 {} H 0.0 {0.490732166147 0.345921740439 0.662292081497} H6 2280 -1 1 {} H 0.0 {0.454852893163 0.353307876932 0.647110622807} H7 2281 -1 1 {} H 0.0 {0.469404538931 0.345395838794 0.642638096638} H8 2282 -1 1 {} H 0.0 {0.480501255741 0.409587217361 0.639019677382} H9 2283 -1 1 {} H 0.0 {0.466597305883 0.400071102237 0.63575955509} H10 2284 -1 1 {} H 0.0 {0.454418300543 0.391157813604 0.654310164085} H11 2285 -1 1 {} H 0.0 {0.459947568896 0.398889919102 0.668567950817} H12 2286 -1 1 {} H 0.0 {0.486079186642 0.400379958929 0.675977545347} H13 2287 -1 1 {} H 0.0 {0.486054350388 0.412617963146 0.663948286554} H14 2288 -1 1 {} H 0.0 {0.456870321303 0.418498017272 0.648433708474} H15 2289 -1 1 {} H 0.0 {0.442824481742 0.38196382485 0.653296456578} H16 2290 -1 1 {} H 0.0 {0.437122904957 0.377395623203 0.637086630149} H17 2291 -1 1 {} H 0.0 {0.426862612681 0.38730334143 0.647653486242} H18 2292 -1 1 {} H 0.0 {0.432053331076 0.420970720883 0.640739342557} H19 2293 -1 1 {} H 0.0 {0.512065789965 0.377084768246 0.639889413963} H20 2294 -1 1 {} H 0.0 {0.508907122607 0.377046448622 0.623045412954} H21 2295 -1 1 {} H 0.0 {0.475201224679 0.356795043834 0.622767424077} H22 2296 -1 14 {} Si 0.0 {0.698356006198 0.602016567962 0.447543349269} Si1 2297 -1 8 {} O 0.0 {0.681571753808 0.594700304757 0.448673165963} O1 2298 -1 14 {} Si 0.0 {0.681232661067 0.579218315559 0.438922774354} Si2 2299 -1 8 {} O 0.0 {0.690028685436 0.566239459973 0.448324630297} O2 2300 -1 14 {} Si 0.0 {0.682642047426 0.549843927538 0.444824208477} Si3 2301 -1 7 {} N 0.0 {0.686986549175 0.538461735592 0.458794103218} N1 2302 -1 14 {} Si 0.0 {0.679495408446 0.545613308611 0.474260027951} Si4 2303 -1 14 {} Si 0.0 {0.705232314019 0.540016746011 0.460711862021} Si5 2304 -1 7 {} N 0.0 {0.683959406136 0.563598416869 0.475314952072} N2 2305 -1 7 {} N 0.0 {0.68628085363 0.536733624909 0.489149105478} N3 2306 -1 7 {} N 0.0 {0.660999364588 0.54375830011 0.473820047013} N4 2307 -1 7 {} N 0.0 {0.710562187298 0.556165750114 0.453150208388} N5 2308 -1 7 {} N 0.0 {0.709591336052 0.539865521982 0.478763900444} N6 2309 -1 7 {} N 0.0 {0.713662543356 0.525949527723 0.452021355611} N7 2310 -1 8 {} O 0.0 {0.709413501061 0.594217285301 0.459996922659} O3 2311 -1 6 {} C 0.0 {0.6971670126 0.620490109928 0.450880576275} C1 2312 -1 8 {} O 0.0 {0.705088598232 0.598963539346 0.430690661307} O4 2313 -1 7 {} N 0.0 {0.68980870815 0.543235847313 0.429007974008} N8 2314 -1 8 {} O 0.0 {0.664382433275 0.551351960837 0.443235612305} O5 2315 -1 1 {} H 0.0 {0.687798166838 0.581315622277 0.426382457025} H1 2316 -1 1 {} H 0.0 {0.667700503118 0.575233836572 0.436661280242} H2 2317 -1 1 {} H 0.0 {0.681882678823 0.566797723906 0.485238955706} H3 2318 -1 1 {} H 0.0 {0.677133454456 0.568843035169 0.468883676332} H4 2319 -1 1 {} H 0.0 {0.689419207459 0.527081000729 0.485926474707} H5 2320 -1 1 {} H 0.0 {0.678012271511 0.535187576756 0.495865573778} H6 2321 -1 1 {} H 0.0 {0.65723307055 0.551196278856 0.467197107296} H7 2322 -1 1 {} H 0.0 {0.657413427914 0.546310964918 0.483651349525} H8 2323 -1 1 {} H 0.0 {0.716180074114 0.553881998374 0.444408934481} H9 2324 -1 1 {} H 0.0 {0.717373560096 0.560742172888 0.460085810355} H10 2325 -1 1 {} H 0.0 {0.711083813957 0.54999822858 0.48172837384} H11 2326 -1 1 {} H 0.0 {0.719133013839 0.534998615607 0.479587385689} H12 2327 -1 1 {} H 0.0 {0.709831514105 0.516925219364 0.456177749271} H13 2328 -1 1 {} H 0.0 {0.724046341721 0.526424847363 0.454761563245} H14 2329 -1 1 {} H 0.0 {0.706161445249 0.596768634581 0.469627107848} H15 2330 -1 1 {} H 0.0 {0.687053390625 0.622852885248 0.454087778757} H16 2331 -1 1 {} H 0.0 {0.699494792595 0.626064573681 0.441824434951} H17 2332 -1 1 {} H 0.0 {0.704193197838 0.623232999243 0.458737009773} H18 2333 -1 1 {} H 0.0 {0.715523050972 0.60018452478 0.43074591106} H19 2334 -1 1 {} H 0.0 {0.681906431422 0.542785284164 0.421918505625} H20 2335 -1 1 {} H 0.0 {0.692777845032 0.533081153031 0.43096159201} H21 2336 -1 1 {} H 0.0 {0.661912414573 0.553265264692 0.433194170832} H22 2337 -1 14 {} Si 0.0 {0.313999248474 0.628919407121 0.655916915253} Si1 2338 -1 8 {} O 0.0 {0.319907007382 0.617667263244 0.66937143238} O1 2339 -1 14 {} Si 0.0 {0.313379385661 0.623027338545 0.685805487532} Si2 2340 -1 8 {} O 0.0 {0.327628386247 0.626287379298 0.697165501336} O2 2341 -1 14 {} Si 0.0 {0.324721977964 0.619102532597 0.253911020158} Si3 2342 -1 7 {} N 0.0 {0.323618382536 0.633007591576 0.266286438009} N1 2343 -1 14 {} Si 0.0 {0.329819573977 0.626833059257 0.282748294183} Si4 2344 -1 14 {} Si 0.0 {0.305614872703 0.636863284334 0.268509023757} Si5 2345 -1 7 {} N 0.0 {0.325084241985 0.609000490626 0.285007821131} N2 2346 -1 7 {} N 0.0 {0.322115739106 0.637004249371 0.29628787704} N3 2347 -1 7 {} N 0.0 {0.348310143973 0.628531463067 0.283564135612} N4 2348 -1 7 {} N 0.0 {0.299915365625 0.64816491294 0.254911400817} N5 2349 -1 7 {} N 0.0 {0.295834864273 0.621065457682 0.267953644045} N6 2350 -1 7 {} N 0.0 {0.303107743403 0.645138150353 0.28495472666} N7 2351 -1 8 {} O 0.0 {0.323541815047 0.625443004826 0.640556449871} O3 2352 -1 6 {} C 0.0 {0.316567547197 0.646879511567 0.660855683466} C1 2353 -1 8 {} O 0.0 {0.296116576446 0.625959030755 0.652771412259} O4 2354 -1 7 {} N 0.0 {0.338912087339 0.607877027715 0.258300567877} N8 2355 -1 8 {} O 0.0 {0.30902518259 0.60946677265 0.254262027079} O5 2356 -1 1 {} H 0.0 {0.305144400238 0.612704518931 0.691186433779} H1 2357 -1 1 {} H 0.0 {0.305653048821 0.634966842407 0.684256401679} H2 2358 -1 1 {} H 0.0 {0.317923464512 0.608620702385 0.292903575743} H3 2359 -1 1 {} H 0.0 {0.33385967229 0.603914742941 0.288599829219} H4 2360 -1 1 {} H 0.0 {0.32789982752 0.645904626959 0.297236328461} H5 2361 -1 1 {} H 0.0 {0.323439722344 0.631500259198 0.305430179416} H6 2362 -1 1 {} H 0.0 {0.352486573745 0.620073561329 0.278620750161} H7 2363 -1 1 {} H 0.0 {0.351019272072 0.627665905358 0.293952290736} H8 2364 -1 1 {} H 0.0 {0.291124983211 0.653084864592 0.258383491381} H9 2365 -1 1 {} H 0.0 {0.296868690885 0.64185938243 0.70687000168} H10 2366 -1 1 {} H 0.0 {0.289196692089 0.621750327824 0.259651038744} H11 2367 -1 1 {} H 0.0 {0.289695537585 0.620926657205 0.276784187568} H12 2368 -1 1 {} H 0.0 {0.29505366195 0.640140778401 0.289808925541} H13 2369 -1 1 {} H 0.0 {0.299719948496 0.655133180153 0.282891919853} H14 2370 -1 1 {} H 0.0 {0.32398287245 0.634126380092 0.634670642335} H15 2371 -1 1 {} H 0.0 {0.312051802359 0.653389142885 0.653342156984} H16 2372 -1 1 {} H 0.0 {0.327244640453 0.648983852125 0.661522579037} H17 2373 -1 1 {} H 0.0 {0.311880208195 0.648699838837 0.670515597358} H18 2374 -1 1 {} H 0.0 {0.290955779687 0.635104702148 0.653117529296} H19 2375 -1 1 {} H 0.0 {0.338324689578 0.605951343033 0.268753723226} H20 2376 -1 1 {} H 0.0 {0.347931531338 0.613527677379 0.256719528863} H21 2377 -1 1 {} H 0.0 {0.305050298062 0.608874997902 0.704786427786} H22 2378 -1 14 {} Si 0.0 {0.727200799836 0.563051849068 0.649809623183} Si1 2379 -1 8 {} O 0.0 {0.711172406662 0.555393428472 0.654907810653} O1 2380 -1 14 {} Si 0.0 {0.710701911596 0.552799464478 0.673185171998} Si2 2381 -1 8 {} O 0.0 {0.725818083321 0.543767189891 0.678658427417} O2 2382 -1 14 {} Si 0.0 {0.721684580735 0.526016219547 0.681430113382} Si3 2383 -1 7 {} N 0.0 {0.723899404093 0.521808147777 0.69953034925} N1 2384 -1 14 {} Si 0.0 {0.276334273623 0.533560520178 0.706370331654} Si4 2385 -1 14 {} Si 0.0 {0.271087036442 0.504696299482 0.700855507291} Si5 2386 -1 7 {} N 0.0 {0.282234516523 0.52745808125 0.262787925543} N2 2387 -1 7 {} N 0.0 {0.728719623746 0.550323704433 0.708306997363} N3 2388 -1 7 {} N 0.0 {0.290722567576 0.534626386857 0.694676799972} N4 2389 -1 7 {} N 0.0 {0.275608771945 0.498388375576 0.684013208875} N5 2390 -1 7 {} N 0.0 {0.286317237933 0.505370594854 0.251373650874} N6 2391 -1 7 {} N 0.0 {0.718819291049 0.49322940003 0.708647519623} N7 2392 -1 8 {} O 0.0 {0.277093864335 0.550644884554 0.640635060323} O3 2393 -1 6 {} C 0.0 {0.276624294268 0.568836293047 0.664939881857} C1 2394 -1 8 {} O 0.0 {0.723866278297 0.577465986695 0.638847342527} O4 2395 -1 7 {} N 0.0 {0.272667640122 0.515449190576 0.670897335361} N8 2396 -1 8 {} O 0.0 {0.704210373733 0.523160397606 0.676679738022} O5 2397 -1 1 {} H 0.0 {0.699114918688 0.545107194924 0.676546728972} H1 2398 -1 1 {} H 0.0 {0.710039064756 0.565454887234 0.679792823754} H2 2399 -1 1 {} H 0.0 {0.285080890245 0.536005655011 0.268475376124} H3 2400 -1 1 {} H 0.0 {0.291235836285 0.521848889516 0.260980208049} H4 2401 -1 1 {} H 0.0 {0.722441355866 0.551887156671 0.699833663662} H5 2402 -1 1 {} H 0.0 {0.27655614151 0.557497124815 0.707580244186} H6 2403 -1 1 {} H 0.0 {0.298019712506 0.527609323145 0.698009847588} H7 2404 -1 1 {} H 0.0 {0.295034039424 0.544382522195 0.695980754715} H8 2405 -1 1 {} H 0.0 {0.730973317147 0.48894955332 0.682829232994} H9 2406 -1 1 {} H 0.0 {0.286189241486 0.496462694305 0.684188864465} H10 2407 -1 1 {} H 0.0 {0.294730162122 0.505536633526 0.704979981715} H11 2408 -1 1 {} H 0.0 {0.286764053662 0.496044281713 0.256717094992} H12 2409 -1 1 {} H 0.0 {0.719089733163 0.49497879617 0.259029304315} H13 2410 -1 1 {} H 0.0 {0.722481825468 0.483222117802 0.707121492745} H14 2411 -1 1 {} H 0.0 {0.286780211993 0.550315654462 0.644663806479} H15 2412 -1 1 {} H 0.0 {0.280751033285 0.560207791541 0.670155405429} H16 2413 -1 1 {} H 0.0 {0.730074046185 0.574272365895 0.671609291793} H17 2414 -1 1 {} H 0.0 {0.284754443381 0.575405959059 0.661795294812} H18 2415 -1 1 {} H 0.0 {0.714957985826 0.582147957665 0.641842018943} H19 2416 -1 1 {} H 0.0 {0.728654311702 0.505658988527 0.670743403948} H20 2417 -1 1 {} H 0.0 {0.28207556742 0.514742430867 0.676051946514} H21 2418 -1 1 {} H 0.0 {0.701040144709 0.530850173341 0.670285897971} H22 2419 -1 14 {} Si 0.0 {0.488329691368 0.313227745596 0.646469981555} Si1 2420 -1 8 {} O 0.0 {0.481228997077 0.306376137071 0.630943777729} O1 2421 -1 14 {} Si 0.0 {0.481548736407 0.287980651163 0.631691639807} Si2 2422 -1 8 {} O 0.0 {0.464424276816 0.281557123198 0.633180634837} O2 2423 -1 14 {} Si 0.0 {0.458577347162 0.276244486301 0.616606451672} Si3 2424 -1 7 {} N 0.0 {0.445622678814 0.72325665181 0.618444105091} N1 2425 -1 14 {} Si 0.0 {0.453918970639 0.706793917664 0.615539156133} Si4 2426 -1 14 {} Si 0.0 {0.433530871783 0.72606290091 0.604567902981} Si5 2427 -1 7 {} N 0.0 {0.446349400302 0.693891979374 0.626588300778} N2 2428 -1 7 {} N 0.0 {0.472107141978 0.708082309842 0.619225942849} N3 2429 -1 7 {} N 0.0 {0.451555054491 0.701867215641 0.597889067029} N4 2430 -1 7 {} N 0.0 {0.431406087757 0.710468254573 0.594726859505} N5 2431 -1 7 {} N 0.0 {0.417126049748 0.271174184212 0.611544249894} N6 2432 -1 7 {} N 0.0 {0.440078914572 0.279342354741 0.593472771028} N7 2433 -1 8 {} O 0.0 {0.475944578228 0.311764868046 0.659980223252} O3 2434 -1 6 {} C 0.0 {0.492734305104 0.33133445718 0.643955580826} C1 2435 -1 8 {} O 0.0 {0.503486318066 0.3038123805 0.650970406818} O4 2436 -1 7 {} N 0.0 {0.472835838291 0.269509765468 0.606750310865} N8 2437 -1 8 {} O 0.0 {0.451334309747 0.290661144046 0.6077671445} O5 2438 -1 1 {} H 0.0 {0.489207722669 0.28379002997 0.643016351296} H1 2439 -1 1 {} H 0.0 {0.48748830062 0.282863267597 0.619741677229} H2 2440 -1 1 {} H 0.0 {0.449735345017 0.684387749052 0.623115889206} H3 2441 -1 1 {} H 0.0 {0.43574476052 0.694176369937 0.624854999747} H4 2442 -1 1 {} H 0.0 {0.474309780793 0.718366787432 0.620764379674} H5 2443 -1 1 {} H 0.0 {0.477299155325 0.705121315766 0.610259256392} H6 2444 -1 1 {} H 0.0 {0.441423041392 0.698851507167 0.596888804264} H7 2445 -1 1 {} H 0.0 {0.457563318282 0.693078827582 0.596310355704} H8 2446 -1 1 {} H 0.0 {0.425638042772 0.712932796603 0.586106725424} H9 2447 -1 1 {} H 0.0 {0.425365286421 0.703862828681 0.600674811863} H10 2448 -1 1 {} H 0.0 {0.413841264898 0.723555390964 0.618068844756} H11 2449 -1 1 {} H 0.0 {0.410216665578 0.27137689835 0.603311188656} H12 2450 -1 1 {} H 0.0 {0.432644012681 0.286946976693 0.59297039452} H13 2451 -1 1 {} H 0.0 {0.440809879014 0.275107101998 0.583610171833} H14 2452 -1 1 {} H 0.0 {0.467477598624 0.317493614321 0.657572533893} H15 2453 -1 1 {} H 0.0 {0.483810521516 0.337450757722 0.645217410979} H16 2454 -1 1 {} H 0.0 {0.496721548079 0.3327540052 0.633911614346} H17 2455 -1 1 {} H 0.0 {0.500233518788 0.334300568289 0.651292611324} H18 2456 -1 1 {} H 0.0 {0.500804484214 0.294138514701 0.654035532785} H19 2457 -1 1 {} H 0.0 {0.470898165289 0.719300330094 0.605054650041} H20 2458 -1 1 {} H 0.0 {0.481494120269 0.270003836993 0.613098150278} H21 2459 -1 1 {} H 0.0 {0.459042203136 0.296970965319 0.604483176876} H22 2460 -1 14 {} Si 0.0 {0.523832735428 0.298572925439 0.684018769981} Si1 2461 -1 8 {} O 0.0 {0.518645406887 0.281439889266 0.679836676836} O1 2462 -1 14 {} Si 0.0 {0.533333115838 0.271857049337 0.6743699344} Si2 2463 -1 8 {} O 0.0 {0.547076216946 0.274538514975 0.686228387014} O2 2464 -1 14 {} Si 0.0 {0.547996870523 0.72035102077 0.697661928689} Si3 2465 -1 7 {} N 0.0 {0.562997637714 0.722125562606 0.708506816658} N1 2466 -1 14 {} Si 0.0 {0.556661985229 0.725456193578 0.26547185338} Si4 2467 -1 14 {} Si 0.0 {0.571808206547 0.277368887228 0.703001013115} Si5 2468 -1 7 {} N 0.0 {0.562202991611 0.28222167139 0.270959612947} N2 2469 -1 7 {} N 0.0 {0.563221764594 0.712625273952 0.277143414873} N3 2470 -1 7 {} N 0.0 {0.538104993298 0.724782447533 0.265286363421} N4 2471 -1 7 {} N 0.0 {0.59010827963 0.275601241878 0.705809768214} N5 2472 -1 7 {} N 0.0 {0.56855180441 0.280130760278 0.68499976552} N6 2473 -1 7 {} N 0.0 {0.565421181401 0.291893675455 0.25254068452} N7 2474 -1 8 {} O 0.0 {0.518114687419 0.302757167395 0.700998412388} O3 2475 -1 6 {} C 0.0 {0.516244881351 0.310552086325 0.67170047885} C1 2476 -1 8 {} O 0.0 {0.54218126386 0.299782362827 0.683253970424} O4 2477 -1 7 {} N 0.0 {0.54903000703 0.70463536167 0.6877701193} N8 2478 -1 8 {} O 0.0 {0.532915238785 0.719968828832 0.708190224742} O5 2479 -1 1 {} H 0.0 {0.537336404429 0.276239864296 0.661370349496} H1 2480 -1 1 {} H 0.0 {0.530069650729 0.718070586563 0.673933645284} H2 2481 -1 1 {} H 0.0 {0.563561607508 0.281836184479 0.281517025294} H3 2482 -1 1 {} H 0.0 {0.553953468452 0.288905374169 0.269173775893} H4 2483 -1 1 {} H 0.0 {0.573744047037 0.712041424535 0.275612063529} H5 2484 -1 1 {} H 0.0 {0.559132540407 0.70320246399 0.273974856495} H6 2485 -1 1 {} H 0.0 {0.53461485841 0.274455936118 0.262996620008} H7 2486 -1 1 {} H 0.0 {0.53499582322 0.722694088087 0.275349934595} H8 2487 -1 1 {} H 0.0 {0.591880277943 0.277190145699 0.256066299443} H9 2488 -1 1 {} H 0.0 {0.594821149076 0.283781024577 0.700617024463} H10 2489 -1 1 {} H 0.0 {0.577411024937 0.277432612471 0.679727740459} H11 2490 -1 1 {} H 0.0 {0.567336335032 0.29071507741 0.683759942753} H12 2491 -1 1 {} H 0.0 {0.561304397759 0.298782007205 0.705657419206} H13 2492 -1 1 {} H 0.0 {0.573991159906 0.296710952552 0.256896261665} H14 2493 -1 1 {} H 0.0 {0.507822041535 0.30480669672 0.700805969497} H15 2494 -1 1 {} H 0.0 {0.50600267024 0.30752223741 0.669534623852} H16 2495 -1 1 {} H 0.0 {0.522082076841 0.310474717639 0.662494633544} H17 2496 -1 1 {} H 0.0 {0.516248624909 0.320595177629 0.675923715564} H18 2497 -1 1 {} H 0.0 {0.54490114247 0.307373773763 0.676529118447} H19 2498 -1 1 {} H 0.0 {0.550382695507 0.69663550961 0.694651831742} H20 2499 -1 1 {} H 0.0 {0.558041464217 0.705239971936 0.681934485771} H21 2500 -1 1 {} H 0.0 {0.525482325963 0.714296377883 0.703435290679} H22 2501 -1 14 {} Si 0.0 {0.415096997655 0.336275598797 0.272367760247} Si1 2502 -1 8 {} O 0.0 {0.414868943989 0.324021908591 0.286079598974} O1 2503 -1 14 {} Si 0.0 {0.410978246619 0.307394917162 0.279218127684} Si2 2504 -1 8 {} O 0.0 {0.396460565706 0.308690261612 0.26799223164} O2 2505 -1 14 {} Si 0.0 {0.385420065198 0.294068396032 0.27009645484} Si3 2506 -1 7 {} N 0.0 {0.37696218092 0.290421417924 0.253706919493} N1 2507 -1 14 {} Si 0.0 {0.359528477468 0.285537449725 0.257770653739} Si4 2508 -1 14 {} Si 0.0 {0.384888427957 0.275624686993 0.705294771523} Si5 2509 -1 7 {} N 0.0 {0.351640367026 0.277617155851 0.703072098766} N2 2510 -1 7 {} N 0.0 {0.349936209373 0.300687060851 0.262602772576} N3 2511 -1 7 {} N 0.0 {0.359598114337 0.273480081832 0.271942854219} N4 2512 -1 7 {} N 0.0 {0.377071134342 0.273685467538 0.688534686573} N5 2513 -1 7 {} N 0.0 {0.403335425204 0.278252194146 0.702995122255} N6 2514 -1 7 {} N 0.0 {0.381760344961 0.720341473622 0.255170475164} N7 2515 -1 8 {} O 0.0 {0.397965504333 0.34146834872 0.268606360672} O3 2516 -1 6 {} C 0.0 {0.422623748808 0.328405374528 0.257093148227} C1 2517 -1 8 {} O 0.0 {0.424999669233 0.350973407191 0.277323272909} O4 2518 -1 7 {} N 0.0 {0.372304647946 0.298066986172 0.282661422575} N8 2519 -1 8 {} O 0.0 {0.395150150769 0.27952582507 0.276081352681} O5 2520 -1 1 {} H 0.0 {0.408017144936 0.298375102717 0.289899427523} H1 2521 -1 1 {} H 0.0 {0.422237828926 0.302569516931 0.271856300049} H2 2522 -1 1 {} H 0.0 {0.346525517735 0.26891433555 0.706491708725} H3 2523 -1 1 {} H 0.0 {0.359659604378 0.274179362027 0.696781561507} H4 2524 -1 1 {} H 0.0 {0.355773837138 0.305936594992 0.269818285212} H5 2525 -1 1 {} H 0.0 {0.341125265842 0.297255121804 0.267710931091} H6 2526 -1 1 {} H 0.0 {0.367071181891 0.726307847743 0.269852663222} H7 2527 -1 1 {} H 0.0 {0.350143126272 0.26834742589 0.27167478968} H8 2528 -1 1 {} H 0.0 {0.378912881237 0.72384571467 0.685300910214} H9 2529 -1 1 {} H 0.0 {0.382509279599 0.280138527456 0.681843358265} H10 2530 -1 1 {} H 0.0 {0.404626841338 0.287641211685 0.698122136252} H11 2531 -1 1 {} H 0.0 {0.406693360419 0.270729845377 0.696047119406} H12 2532 -1 1 {} H 0.0 {0.386243153213 0.721771714104 0.264707815124} H13 2533 -1 1 {} H 0.0 {0.387178647113 0.712359774472 0.250377927567} H14 2534 -1 1 {} H 0.0 {0.391568512681 0.333169435081 0.269353228855} H15 2535 -1 1 {} H 0.0 {0.415477076367 0.328896499558 0.708997171328} H16 2536 -1 1 {} H 0.0 {0.425024971447 0.317990039529 0.25919628274} H17 2537 -1 1 {} H 0.0 {0.431702212826 0.333753012168 0.254347829727} H18 2538 -1 1 {} H 0.0 {0.435198493282 0.348910226087 0.276018236234} H19 2539 -1 1 {} H 0.0 {0.36343073149 0.292924649847 0.279690508053} H20 2540 -1 1 {} H 0.0 {0.370207874049 0.308568620591 0.281700961914} H21 2541 -1 1 {} H 0.0 {0.399199978494 0.281695034278 0.28553549403} H22 2542 -1 14 {} Si 0.0 {0.618418775038 0.479562873826 0.48671649798} Si1 2543 -1 8 {} O 0.0 {0.621779957735 0.489334589058 0.471500966596} O1 2544 -1 14 {} Si 0.0 {0.624633032182 0.506986248924 0.475936264847} Si2 2545 -1 8 {} O 0.0 {0.610052073901 0.513653844835 0.485110188228} O2 2546 -1 14 {} Si 0.0 {0.614889034565 0.529468729974 0.493268782289} Si3 2547 -1 7 {} N 0.0 {0.600465944492 0.536419736868 0.503094284174} N1 2548 -1 14 {} Si 0.0 {0.584878755172 0.527844615366 0.497589793003} Si4 2549 -1 14 {} Si 0.0 {0.598410589258 0.554530976478 0.498760608063} Si5 2550 -1 7 {} N 0.0 {0.584738643177 0.510319577905 0.50377882167} N2 2551 -1 7 {} N 0.0 {0.583945577221 0.527891399402 0.479017879752} N3 2552 -1 7 {} N 0.0 {0.570234483649 0.5369726715 0.504516823638} N4 2553 -1 7 {} N 0.0 {0.596555778723 0.564451326023 0.514346654036} N5 2554 -1 7 {} N 0.0 {0.613281399672 0.560638710492 0.489332417291} N6 2555 -1 7 {} N 0.0 {0.583033326744 0.556641901792 0.48842721577} N7 2556 -1 8 {} O 0.0 {0.632893243416 0.468824824998 0.49049760297} O3 2557 -1 6 {} C 0.0 {0.603243146143 0.468844987079 0.483946854717} C1 2558 -1 8 {} O 0.0 {0.615405813878 0.490993378908 0.500809901184} O4 2559 -1 7 {} N 0.0 {0.6202829349 0.541636012255 0.480263132731} N8 2560 -1 8 {} O 0.0 {0.628935571508 0.526225894887 0.504697515258} O5 2561 -1 1 {} H 0.0 {0.626605825991 0.514594067023 0.463989420514} H1 2562 -1 1 {} H 0.0 {0.636282537049 0.507990721634 0.484169714955} H2 2563 -1 1 {} H 0.0 {0.578881562947 0.504619056016 0.496937575126} H3 2564 -1 1 {} H 0.0 {0.579346795412 0.510379699869 0.513086368817} H4 2565 -1 1 {} H 0.0 {0.574319552834 0.531614330997 0.476354352607} H5 2566 -1 1 {} H 0.0 {0.584224794255 0.517609772663 0.475890617013} H6 2567 -1 1 {} H 0.0 {0.562506613627 0.529837235183 0.506087426505} H7 2568 -1 1 {} H 0.0 {0.566776789683 0.543587209022 0.496767658001} H8 2569 -1 1 {} H 0.0 {0.596717797386 0.574742358305 0.511563516729} H9 2570 -1 1 {} H 0.0 {0.605409576655 0.562717638188 0.520179350729} H10 2571 -1 1 {} H 0.0 {0.621254912762 0.561654244932 0.496329153264} H11 2572 -1 1 {} H 0.0 {0.610912136357 0.570572714962 0.485934399002} H12 2573 -1 1 {} H 0.0 {0.58483080884 0.552067755325 0.479033140283} H13 2574 -1 1 {} H 0.0 {0.581965073931 0.567173100514 0.486578900604} H14 2575 -1 1 {} H 0.0 {0.630048134612 0.458735457935 0.489748915514} H15 2576 -1 1 {} H 0.0 {0.605937608969 0.458348883193 0.485128014531} H16 2577 -1 1 {} H 0.0 {0.599425571955 0.470501003402 0.473868908746} H17 2578 -1 1 {} H 0.0 {0.595563368981 0.471467262332 0.491215557965} H18 2579 -1 1 {} H 0.0 {0.606451963251 0.488338155388 0.505597104442} H19 2580 -1 1 {} H 0.0 {0.62076686886 0.536355092517 0.471012249796} H20 2581 -1 1 {} H 0.0 {0.630368063764 0.544470711674 0.482694872636} H21 2582 -1 1 {} H 0.0 {0.637037045468 0.532363322665 0.502094719166} H22 2583 -1 14 {} Si 0.0 {0.447896017822 0.669959154392 0.58465204552} Si1 2584 -1 8 {} O 0.0 {0.450164231313 0.667906389293 0.566660031144} O1 2585 -1 14 {} Si 0.0 {0.465115452306 0.677336510114 0.561371513195} Si2 2586 -1 8 {} O 0.0 {0.478545241272 0.665342124557 0.556577000828} O2 2587 -1 14 {} Si 0.0 {0.4916118072 0.672055672371 0.544710120156} Si3 2588 -1 7 {} N 0.0 {0.485687536942 0.68608030088 0.533958129639} N1 2589 -1 14 {} Si 0.0 {0.468752654513 0.690859612683 0.539243830319} Si4 2590 -1 14 {} Si 0.0 {0.485007241056 0.67929128215 0.516683312473} Si5 2591 -1 7 {} N 0.0 {0.46168377268 0.703690524581 0.527868360718} N2 2592 -1 7 {} N 0.0 {0.469804949317 0.697923137871 0.556488449921} N3 2593 -1 7 {} N 0.0 {0.457794763524 0.675765766997 0.539288921861} N4 2594 -1 7 {} N 0.0 {0.486513718325 0.693070837665 0.504452558389} N5 2595 -1 7 {} N 0.0 {0.499330970062 0.66771891712 0.514270297136} N6 2596 -1 7 {} N 0.0 {0.46904986186 0.670076231844 0.514092353123} N7 2597 -1 8 {} O 0.0 {0.463664731852 0.664781909187 0.593017205247} O3 2598 -1 6 {} C 0.0 {0.433273928634 0.65899092364 0.590776826333} C1 2599 -1 8 {} O 0.0 {0.444342355494 0.687515549717 0.588259645286} O4 2600 -1 7 {} N 0.0 {0.496803048093 0.658173754676 0.533597886441} N8 2601 -1 8 {} O 0.0 {0.50633384967 0.677680960478 0.553931944734} O5 2602 -1 1 {} H 0.0 {0.469605724834 0.685562878801 0.572193989318} H1 2603 -1 1 {} H 0.0 {0.461504761208 0.685397058175 0.550536358987} H2 2604 -1 1 {} H 0.0 {0.463279571611 0.713180295435 0.532484528016} H3 2605 -1 1 {} H 0.0 {0.451025574357 0.702125579308 0.527747491626} H4 2606 -1 1 {} H 0.0 {0.477691148482 0.692780301969 0.561514930674} H5 2607 -1 1 {} H 0.0 {0.46067616046 0.695261879396 0.561551517694} H6 2608 -1 1 {} H 0.0 {0.458973403638 0.670963551435 0.529867929404} H7 2609 -1 1 {} H 0.0 {0.447642913163 0.679310444487 0.53968146136} H8 2610 -1 1 {} H 0.0 {0.493718047567 0.689963263794 0.497260056892} H9 2611 -1 1 {} H 0.0 {0.490890691369 0.701353722017 0.50968596753} H10 2612 -1 1 {} H 0.0 {0.506098245021 0.669378982681 0.522349295496} H11 2613 -1 1 {} H 0.0 {0.504400497474 0.670928518685 0.505343040856} H12 2614 -1 1 {} H 0.0 {0.47141332942 0.659671584985 0.513911870183} H13 2615 -1 1 {} H 0.0 {0.465590712115 0.672589131375 0.504228756905} H14 2616 -1 1 {} H 0.0 {0.46218179341 0.655681052983 0.598035757655} H15 2617 -1 1 {} H 0.0 {0.43376971753 0.657812022486 0.601611398965} H16 2618 -1 1 {} H 0.0 {0.433777909401 0.649082837291 0.586122884346} H17 2619 -1 1 {} H 0.0 {0.423850998865 0.663712969815 0.588087086661} H18 2620 -1 1 {} H 0.0 {0.43629575653 0.690737923116 0.582323496244} H19 2621 -1 1 {} H 0.0 {0.491100052792 0.659036069406 0.524662011243} H20 2622 -1 1 {} H 0.0 {0.493654221262 0.649068017854 0.538386248228} H21 2623 -1 1 {} H 0.0 {0.512918922905 0.682537441398 0.547264687795} H22 2624 -1 14 {} Si 0.0 {0.273211201233 0.711368484019 0.355612352941} Si1 2625 -1 8 {} O 0.0 {0.287332983298 0.701511052969 0.362073711245} O1 2626 -1 14 {} Si 0.0 {0.300460343497 0.70040989575 0.34921402369} Si2 2627 -1 8 {} O 0.0 {0.300968737943 0.716077577534 0.339529546598} O2 2628 -1 14 {} Si 0.0 {0.317910904267 0.723150473655 0.340509514775} Si3 2629 -1 7 {} N 0.0 {0.317155188896 0.281639712236 0.339334309337} N1 2630 -1 14 {} Si 0.0 {0.300911565187 0.287192574519 0.346530172802} Si4 2631 -1 14 {} Si 0.0 {0.317208111515 0.286521062099 0.321270185677} Si5 2632 -1 7 {} N 0.0 {0.301471519897 0.30555285357 0.349337260634} N2 2633 -1 7 {} N 0.0 {0.297965227171 0.278534391832 0.362728397007} N3 2634 -1 7 {} N 0.0 {0.287077247934 0.283150118351 0.334776586194} N4 2635 -1 7 {} N 0.0 {0.300446864588 0.292978889661 0.316502043551} N5 2636 -1 7 {} N 0.0 {0.329864806561 0.299881372692 0.318627418386} N6 2637 -1 7 {} N 0.0 {0.321412669172 0.271863537722 0.310643991841} N7 2638 -1 8 {} O 0.0 {0.725565642604 0.702426440553 0.341543034204} O3 2639 -1 6 {} C 0.0 {0.279387082506 0.267956939998 0.349784128802} C1 2640 -1 8 {} O 0.0 {0.72091775405 0.713854387163 0.368928852439} O4 2641 -1 7 {} N 0.0 {0.328289518031 0.716351962675 0.326672482083} N8 2642 -1 8 {} O 0.0 {0.325451084712 0.718434109295 0.356624830587} O5 2643 -1 1 {} H 0.0 {0.297654311694 0.689464331089 0.340452058141} H1 2644 -1 1 {} H 0.0 {0.313128146309 0.698317217842 0.355527025283} H2 2645 -1 1 {} H 0.0 {0.305952695019 0.307152402897 0.358868646628} H3 2646 -1 1 {} H 0.0 {0.291275481912 0.308863784539 0.350147758167} H4 2647 -1 1 {} H 0.0 {0.295570312717 0.286021551896 0.369923170109} H5 2648 -1 1 {} H 0.0 {0.307385957239 0.274302834875 0.365730802097} H6 2649 -1 1 {} H 0.0 {0.288292846747 0.28932781847 0.3262160334} H7 2650 -1 1 {} H 0.0 {0.277967500261 0.286316613713 0.339547688587} H8 2651 -1 1 {} H 0.0 {0.298913362772 0.290530544428 0.306244636249} H9 2652 -1 1 {} H 0.0 {0.301009770518 0.303713458344 0.317036836066} H10 2653 -1 1 {} H 0.0 {0.32661266096 0.308431441193 0.324101462857} H11 2654 -1 1 {} H 0.0 {0.329404437358 0.302556361025 0.308220904628} H12 2655 -1 1 {} H 0.0 {0.328931117098 0.275025392135 0.303761148786} H13 2656 -1 1 {} H 0.0 {0.312642079214 0.269693499097 0.304787005246} H14 2657 -1 1 {} H 0.0 {0.720941566527 0.709341887222 0.335147845269} H15 2658 -1 1 {} H 0.0 {0.290161154891 0.267524645777 0.348263099143} H16 2659 -1 1 {} H 0.0 {0.277075963485 0.275498806507 0.357313591023} H17 2660 -1 1 {} H 0.0 {0.274485342547 0.270552941454 0.340413790071} H18 2661 -1 1 {} H 0.0 {0.725203851705 0.719481064001 0.37669112337} H19 2662 -1 1 {} H 0.0 {0.334537008689 0.724249552055 0.323229728985} H20 2663 -1 1 {} H 0.0 {0.321553657417 0.714024136465 0.31861722674} H21 2664 -1 1 {} H 0.0 {0.317888423064 0.717416992901 0.363851753161} H22 2665 -1 14 {} Si 0.0 {0.424688026655 0.704574283477 0.459001332838} Si1 2666 -1 8 {} O 0.0 {0.412396515443 0.711487602776 0.470966142875} O1 2667 -1 14 {} Si 0.0 {0.415538379065 0.269346588307 0.473701424124} Si2 2668 -1 8 {} O 0.0 {0.400734111336 0.278817997868 0.468347287737} O2 2669 -1 14 {} Si 0.0 {0.398517339573 0.27524313543 0.450666337917} Si3 2670 -1 7 {} N 0.0 {0.415382564037 0.271794987683 0.443847183429} N1 2671 -1 14 {} Si 0.0 {0.425401623231 0.287484708504 0.445676548247} Si4 2672 -1 14 {} Si 0.0 {0.413701836324 0.267583237175 0.42577253265} Si5 2673 -1 7 {} N 0.0 {0.415532555737 0.302097026932 0.439782299093} N2 2674 -1 7 {} N 0.0 {0.441116229075 0.286180203134 0.435859957956} N3 2675 -1 7 {} N 0.0 {0.429602910868 0.28989466705 0.463666905723} N4 2676 -1 7 {} N 0.0 {0.396888741093 0.272572713577 0.419571473627} N5 2677 -1 7 {} N 0.0 {0.426849132509 0.276365329004 0.416082675503} N6 2678 -1 7 {} N 0.0 {0.415793248626 0.709333356247 0.423713737974} N7 2679 -1 8 {} O 0.0 {0.429221147178 0.687503081292 0.464141251347} O3 2680 -1 6 {} C 0.0 {0.440093461213 0.715303553952 0.458795657251} C1 2681 -1 8 {} O 0.0 {0.417406365364 0.704020626012 0.442092949548} O4 2682 -1 7 {} N 0.0 {0.390792668968 0.289809022262 0.442026513441} N8 2683 -1 8 {} O 0.0 {0.387865667119 0.720525802087 0.448754003925} O5 2684 -1 1 {} H 0.0 {0.426848779563 0.273418009584 0.465931241005} H1 2685 -1 1 {} H 0.0 {0.418107390405 0.271777468702 0.487525695631} H2 2686 -1 1 {} H 0.0 {0.422489900049 0.309799096566 0.437315861822} H3 2687 -1 1 {} H 0.0 {0.409936486986 0.305657320193 0.448273440706} H4 2688 -1 1 {} H 0.0 {0.441840911278 0.276153167174 0.432377553505} H5 2689 -1 1 {} H 0.0 {0.449213482593 0.287602944546 0.442819951641} H6 2690 -1 1 {} H 0.0 {0.425738525813 0.299388752237 0.46658724898} H7 2691 -1 1 {} H 0.0 {0.440317224333 0.290627276576 0.464276506022} H8 2692 -1 1 {} H 0.0 {0.395770294802 0.268410678824 0.409814997258} H9 2693 -1 1 {} H 0.0 {0.397090991803 0.283227344465 0.418323918537} H10 2694 -1 1 {} H 0.0 {0.43025330637 0.284473581396 0.422052632417} H11 2695 -1 1 {} H 0.0 {0.422003104919 0.280674097047 0.407513770971} H12 2696 -1 1 {} H 0.0 {0.423193095622 0.70780123791 0.416221811975} H13 2697 -1 1 {} H 0.0 {0.406536799973 0.705591506334 0.41970640775} H14 2698 -1 1 {} H 0.0 {0.423352618548 0.680596609078 0.458855548904} H15 2699 -1 1 {} H 0.0 {0.448406234039 0.70957757802 0.454693337712} H16 2700 -1 1 {} H 0.0 {0.442481022233 0.718429024351 0.46895268292} H17 2701 -1 1 {} H 0.0 {0.438331524609 0.724096785875 0.452600393532} H18 2702 -1 1 {} H 0.0 {0.410969645933 0.712177403488 0.440778001008} H19 2703 -1 1 {} H 0.0 {0.380212154263 0.288564459149 0.442579530467} H20 2704 -1 1 {} H 0.0 {0.393409112369 0.288977672242 0.431652651278} H21 2705 -1 1 {} H 0.0 {0.38933240385 0.714127976142 0.456971196974} H22 2706 -1 14 {} Si 0.0 {0.532587813941 0.529501548727 0.446745620185} Si1 2707 -1 8 {} O 0.0 {0.532836130432 0.538588919666 0.462721175201} O1 2708 -1 14 {} Si 0.0 {0.516802194803 0.536198528701 0.471326983659} Si2 2709 -1 8 {} O 0.0 {0.51354713419 0.518256608979 0.473495578349} O2 2710 -1 14 {} Si 0.0 {0.496130002522 0.516246027671 0.478756972167} Si3 2711 -1 7 {} N 0.0 {0.493992298435 0.50036753213 0.488055159044} N1 2712 -1 14 {} Si 0.0 {0.4835527761 0.4889757368 0.477540270366} Si4 2713 -1 14 {} Si 0.0 {0.48406967719 0.50489137323 0.503040538469} Si5 2714 -1 7 {} N 0.0 {0.470911222166 0.480541777857 0.488234155514} N2 2715 -1 7 {} N 0.0 {0.494384445654 0.476138810363 0.469513409972} N3 2716 -1 7 {} N 0.0 {0.474887962203 0.498795194896 0.464365422987} N4 2717 -1 7 {} N 0.0 {0.49460911306 0.515053782502 0.514492191736} N5 2718 -1 7 {} N 0.0 {0.469409272889 0.51496785675 0.497681254898} N6 2719 -1 7 {} N 0.0 {0.478279962344 0.48958857752 0.511796695995} N7 2720 -1 8 {} O 0.0 {0.533675065688 0.541507239128 0.432850297425} O3 2721 -1 6 {} C 0.0 {0.516600051543 0.519678807113 0.445311504258} C1 2722 -1 8 {} O 0.0 {0.546918205216 0.518006448819 0.446062491677} O4 2723 -1 7 {} N 0.0 {0.485054577512 0.516420346373 0.463882418147} N8 2724 -1 8 {} O 0.0 {0.491587625665 0.530182994059 0.489872307632} O5 2725 -1 1 {} H 0.0 {0.50629647825 0.541994275053 0.463537966731} H1 2726 -1 1 {} H 0.0 {0.517258443496 0.542520820416 0.48414349275} H2 2727 -1 1 {} H 0.0 {0.46680061156 0.472526185684 0.482537368258} H3 2728 -1 1 {} H 0.0 {0.462950764932 0.48761564423 0.489750188357} H4 2729 -1 1 {} H 0.0 {0.502474455869 0.48127593311 0.464862958075} H5 2730 -1 1 {} H 0.0 {0.48858387768 0.471736494728 0.461572290953} H6 2731 -1 1 {} H 0.0 {0.464686336486 0.499689082007 0.467284059869} H7 2732 -1 1 {} H 0.0 {0.475008536048 0.492769111249 0.455449961227} H8 2733 -1 1 {} H 0.0 {0.488079433714 0.519675327637 0.521522004567} H9 2734 -1 1 {} H 0.0 {0.498829352685 0.522992331704 0.508557001106} H10 2735 -1 1 {} H 0.0 {0.471194837224 0.517993319528 0.48760016466} H11 2736 -1 1 {} H 0.0 {0.469504876802 0.523937160258 0.503614775697} H12 2737 -1 1 {} H 0.0 {0.467890631269 0.490875604511 0.51382218777} H13 2738 -1 1 {} H 0.0 {0.483253906196 0.489446995183 0.521336501992} H14 2739 -1 1 {} H 0.0 {0.528302261744 0.537812472826 0.424622756555} H15 2740 -1 1 {} H 0.0 {0.508989481169 0.525805491897 0.440476920748} H16 2741 -1 1 {} H 0.0 {0.513183705634 0.516817190912 0.455253539329} H17 2742 -1 1 {} H 0.0 {0.518369703712 0.510719254798 0.439360766675} H18 2743 -1 1 {} H 0.0 {0.543502465366 0.508126606285 0.446995854491} H19 2744 -1 1 {} H 0.0 {0.475051917028 0.515363813657 0.467397724486} H20 2745 -1 1 {} H 0.0 {0.487303292872 0.507539831492 0.458260202778} H21 2746 -1 1 {} H 0.0 {0.492546786584 0.539235378131 0.484691571797} H22 2747 -1 14 {} Si 0.0 {0.467692137029 0.40660864289 0.473526284526} Si1 2748 -1 8 {} O 0.0 {0.450909207825 0.404841305561 0.466256236512} O1 2749 -1 14 {} Si 0.0 {0.438783590673 0.404099502629 0.48006443637} Si2 2750 -1 8 {} O 0.0 {0.447625092589 0.407743133372 0.495862963141} O2 2751 -1 14 {} Si 0.0 {0.44666065023 0.393133002625 0.507062018252} Si3 2752 -1 7 {} N 0.0 {0.463065492084 0.384066906041 0.507494005341} N1 2753 -1 14 {} Si 0.0 {0.473838444731 0.392461731864 0.519966814438} Si4 2754 -1 14 {} Si 0.0 {0.471508427711 0.386214858409 0.491064167128} Si5 2755 -1 7 {} N 0.0 {0.470816721642 0.38511289049 0.536749813901} N2 2756 -1 7 {} N 0.0 {0.469957287556 0.410614618995 0.520277366478} N3 2757 -1 7 {} N 0.0 {0.49162359329 0.389996280159 0.515158908841} N4 2758 -1 7 {} N 0.0 {0.458742076132 0.388445124882 0.477803638585} N5 2759 -1 7 {} N 0.0 {0.482787472893 0.401122262384 0.491848575972} N6 2760 -1 7 {} N 0.0 {0.481661986414 0.37113595272 0.487376789942} N7 2761 -1 8 {} O 0.0 {0.466597969304 0.403782446654 0.491701474203} O3 2762 -1 6 {} C 0.0 {0.474202773123 0.423905030501 0.470325081504} C1 2763 -1 8 {} O 0.0 {0.479147822042 0.394232633881 0.466047766104} O4 2764 -1 7 {} N 0.0 {0.433446219671 0.381612082982 0.500987441075} N8 2765 -1 8 {} O 0.0 {0.44240836195 0.398797169281 0.52406125396} O5 2766 -1 1 {} H 0.0 {0.43305616812 0.39102218569 0.480704261108} H1 2767 -1 1 {} H 0.0 {0.428473333271 0.413768885814 0.477943197598} H2 2768 -1 1 {} H 0.0 {0.470897734157 0.393124272219 0.543762821038} H3 2769 -1 1 {} H 0.0 {0.479359317406 0.378979313904 0.539003046199} H4 2770 -1 1 {} H 0.0 {0.460589814013 0.411902473579 0.515373601599} H5 2771 -1 1 {} H 0.0 {0.477333704034 0.415445740768 0.514103436915} H6 2772 -1 1 {} H 0.0 {0.497301867117 0.389546675478 0.524136207891} H7 2773 -1 1 {} H 0.0 {0.494696611402 0.398935406194 0.510015586888} H8 2774 -1 1 {} H 0.0 {0.46388569239 0.390397523859 0.468700768658} H9 2775 -1 1 {} H 0.0 {0.453391785975 0.397333534278 0.480257382679} H10 2776 -1 1 {} H 0.0 {0.480826328273 0.407115564025 0.48331296816} H11 2777 -1 1 {} H 0.0 {0.492833566294 0.397455184181 0.490750692214} H12 2778 -1 1 {} H 0.0 {0.491183171405 0.372571888757 0.491947325262} H13 2779 -1 1 {} H 0.0 {0.483344322399 0.371086664245 0.476757130201} H14 2780 -1 1 {} H 0.0 {0.466059295659 0.413013647727 0.496649283767} H15 2781 -1 1 {} H 0.0 {0.470496591863 0.430656001615 0.478036065884} H16 2782 -1 1 {} H 0.0 {0.470798591434 0.427315864659 0.460560742748} H17 2783 -1 1 {} H 0.0 {0.485103365615 0.423777961588 0.470540657327} H18 2784 -1 1 {} H 0.0 {0.478459857065 0.394696595599 0.45558507898} H19 2785 -1 1 {} H 0.0 {0.425477361558 0.381944773725 0.50805247482} H20 2786 -1 1 {} H 0.0 {0.437555212473 0.371686356032 0.501467807678} H21 2787 -1 1 {} H 0.0 {0.432434599617 0.402093271623 0.524256693379} H22 2788 -1 14 {} Si 0.0 {0.631002117294 0.544155374369 0.606942195226} Si1 2789 -1 8 {} O 0.0 {0.62246077568 0.556785379621 0.617305735277} O1 2790 -1 14 {} Si 0.0 {0.604815235959 0.551918876367 0.619366175976} Si2 2791 -1 8 {} O 0.0 {0.594780869849 0.566494729582 0.624528867932} O2 2792 -1 14 {} Si 0.0 {0.583301878787 0.561444382233 0.638058046999} Si3 2793 -1 7 {} N 0.0 {0.576971599106 0.576471628168 0.647079560961} N1 2794 -1 14 {} Si 0.0 {0.591396437215 0.587650352942 0.650174576095} Si4 2795 -1 14 {} Si 0.0 {0.571149534418 0.570855321723 0.663748338847} Si5 2796 -1 7 {} N 0.0 {0.597824273718 0.584771196312 0.667373852009} N2 2797 -1 7 {} N 0.0 {0.585817534279 0.605396799387 0.6484512878} N3 2798 -1 7 {} N 0.0 {0.604917522493 0.58387309112 0.637988872355} N4 2799 -1 7 {} N 0.0 {0.580910564498 0.579688006381 0.676863504185} N5 2800 -1 7 {} N 0.0 {0.553140347542 0.574807150041 0.665791365397} N6 2801 -1 7 {} N 0.0 {0.57372472824 0.552538395507 0.665338788156} N7 2802 -1 8 {} O 0.0 {0.618493164713 0.532890897132 0.599534589572} O3 2803 -1 6 {} C 0.0 {0.642828831225 0.534140294485 0.61758752175} C1 2804 -1 8 {} O 0.0 {0.640414107752 0.552529184908 0.593534657704} O4 2805 -1 7 {} N 0.0 {0.592324469082 0.550484161646 0.650017192824} N8 2806 -1 8 {} O 0.0 {0.5690901049 0.552250856959 0.630874936231} O5 2807 -1 1 {} H 0.0 {0.603858354644 0.541739296458 0.629351673243} H1 2808 -1 1 {} H 0.0 {0.599824292397 0.546889259938 0.606957812854} H2 2809 -1 1 {} H 0.0 {0.595938766403 0.593572727055 0.672968747719} H3 2810 -1 1 {} H 0.0 {0.608508542386 0.58391786871 0.666555348069} H4 2811 -1 1 {} H 0.0 {0.587266900167 0.60824615447 0.638318804016} H5 2812 -1 1 {} H 0.0 {0.592554565685 0.611375662921 0.654316433831} H6 2813 -1 1 {} H 0.0 {0.603134874693 0.574143950112 0.634247133146} H7 2814 -1 1 {} H 0.0 {0.614054822637 0.583330789474 0.643628047476} H8 2815 -1 1 {} H 0.0 {0.586421601542 0.572318044865 0.682204953084} H9 2816 -1 1 {} H 0.0 {0.57377169446 0.583800722467 0.683778959796} H10 2817 -1 1 {} H 0.0 {0.552513722004 0.584128221942 0.670920965907} H11 2818 -1 1 {} H 0.0 {0.549113626363 0.567375394183 0.672443805945} H12 2819 -1 1 {} H 0.0 {0.56471019507 0.548413332439 0.669224446831} H13 2820 -1 1 {} H 0.0 {0.581247315391 0.551134389164 0.672894604178} H14 2821 -1 1 {} H 0.0 {0.617371089766 0.524426626467 0.6056542134} H15 2822 -1 1 {} H 0.0 {0.637269280977 0.529274350938 0.625605360944} H16 2823 -1 1 {} H 0.0 {0.650359982049 0.540752997181 0.621872481813} H17 2824 -1 1 {} H 0.0 {0.647713033081 0.526566755944 0.611440886535} H18 2825 -1 1 {} H 0.0 {0.648540105575 0.557720201652 0.597688548967} H19 2826 -1 1 {} H 0.0 {0.58585694693 0.542342378421 0.652317359014} H20 2827 -1 1 {} H 0.0 {0.593480956206 0.556139634372 0.659098810571} H21 2828 -1 1 {} H 0.0 {0.568421789904 0.542805298857 0.635367774411} H22 2829 -1 14 {} Si 0.0 {0.472786180531 0.587826560683 0.449107143815} Si1 2830 -1 8 {} O 0.0 {0.457532572942 0.586208915222 0.438957041703} O1 2831 -1 14 {} Si 0.0 {0.450861449158 0.569079578281 0.43992804254} Si2 2832 -1 8 {} O 0.0 {0.43379779437 0.569121537462 0.433069185085} O2 2833 -1 14 {} Si 0.0 {0.421995209276 0.561234985043 0.444803565655} Si3 2834 -1 7 {} N 0.0 {0.413043219274 0.547821135819 0.435804156007} N1 2835 -1 14 {} Si 0.0 {0.413986881073 0.532331309929 0.446028432803} Si4 2836 -1 14 {} Si 0.0 {0.422578954705 0.544973507386 0.420211075255} Si5 2837 -1 7 {} N 0.0 {0.410505738961 0.51761373404 0.435206020548} N2 2838 -1 7 {} N 0.0 {0.401310768004 0.533196417212 0.459586576038} N3 2839 -1 7 {} N 0.0 {0.430936030094 0.530700767841 0.453483695715} N4 2840 -1 7 {} N 0.0 {0.428656862731 0.527447941281 0.419675823405} N5 2841 -1 7 {} N 0.0 {0.411570121041 0.548258924229 0.405648728118} N6 2842 -1 7 {} N 0.0 {0.437091703544 0.556623689783 0.419787847732} N7 2843 -1 8 {} O 0.0 {0.485515588568 0.596912606478 0.439418257568} O3 2844 -1 6 {} C 0.0 {0.47935559179 0.570810085839 0.453676051482} C1 2845 -1 8 {} O 0.0 {0.468924036604 0.59724300743 0.464432939451} O4 2846 -1 7 {} N 0.0 {0.40973340809 0.573880503541 0.450612505926} N8 2847 -1 8 {} O 0.0 {0.431065418022 0.554200773698 0.459186555261} O5 2848 -1 1 {} H 0.0 {0.450621470347 0.564692978964 0.453532152718} H1 2849 -1 1 {} H 0.0 {0.459097443754 0.56028596573 0.432185292718} H2 2850 -1 1 {} H 0.0 {0.401707313864 0.512932699313 0.438967252147} H3 2851 -1 1 {} H 0.0 {0.418572785848 0.510668255685 0.436748222226} H4 2852 -1 1 {} H 0.0 {0.394652702647 0.541163330197 0.457165473226} H5 2853 -1 1 {} H 0.0 {0.406532980679 0.536184178062 0.46850067518} H6 2854 -1 1 {} H 0.0 {0.433449812937 0.520340261145 0.453359620389} H7 2855 -1 1 {} H 0.0 {0.430028667225 0.533500039779 0.463835766578} H8 2856 -1 1 {} H 0.0 {0.435178667246 0.526636580511 0.411291160325} H9 2857 -1 1 {} H 0.0 {0.420111994625 0.521295416434 0.417516869681} H10 2858 -1 1 {} H 0.0 {0.401695510399 0.545408067799 0.408462902881} H11 2859 -1 1 {} H 0.0 {0.414622087703 0.541492172938 0.39788966429} H12 2860 -1 1 {} H 0.0 {0.438669179099 0.55936062628 0.409628579925} H13 2861 -1 1 {} H 0.0 {0.445713104013 0.550943567636 0.422815032799} H14 2862 -1 1 {} H 0.0 {0.493806479588 0.590681898375 0.437843534597} H15 2863 -1 1 {} H 0.0 {0.484658705153 0.566551448691 0.445159373388} H16 2864 -1 1 {} H 0.0 {0.471055443438 0.564310199487 0.456413417853} H17 2865 -1 1 {} H 0.0 {0.486194788608 0.571714504189 0.462121632086} H18 2866 -1 1 {} H 0.0 {0.464813585441 0.590746696688 0.471575780203} H19 2867 -1 1 {} H 0.0 {0.400688545694 0.568697411054 0.452843516722} H20 2868 -1 1 {} H 0.0 {0.407630239436 0.580192554093 0.442157196805} H21 2869 -1 1 {} H 0.0 {0.4353478658 0.561995952058 0.464761438042} H22 2870 -1 14 {} Si 0.0 {0.364883171312 0.589798412027 0.508311199185} Si1 2871 -1 8 {} O 0.0 {0.364967879799 0.604880412633 0.497850261601} O1 2872 -1 14 {} Si 0.0 {0.379027737684 0.603823088192 0.486040565995} Si2 2873 -1 8 {} O 0.0 {0.37292415571 0.597774476246 0.469820867309} O2 2874 -1 14 {} Si 0.0 {0.385597192305 0.60102397216 0.456892502283} Si3 2875 -1 7 {} N 0.0 {0.392061901521 0.584887685812 0.450505106624} N1 2876 -1 14 {} Si 0.0 {0.393601246493 0.586699198187 0.43209639559} Si4 2877 -1 14 {} Si 0.0 {0.378873849405 0.572256155268 0.453795605651} Si5 2878 -1 7 {} N 0.0 {0.376826761051 0.590062702945 0.424842445883} N2 2879 -1 7 {} N 0.0 {0.400525270245 0.571053828202 0.424818987975} N3 2880 -1 7 {} N 0.0 {0.404983111305 0.600909024049 0.428288998541} N4 2881 -1 7 {} N 0.0 {0.362273114593 0.579617624196 0.449823478043} N5 2882 -1 7 {} N 0.0 {0.381737137924 0.557247459483 0.44319451415} N6 2883 -1 7 {} N 0.0 {0.379374556793 0.567410492065 0.471742091548} N7 2884 -1 8 {} O 0.0 {0.353877771605 0.577153945897 0.500723652238} O3 2885 -1 6 {} C 0.0 {0.358686445891 0.594054789609 0.525537727283} C1 2886 -1 8 {} O 0.0 {0.381986951995 0.583167714859 0.509454675691} O4 2887 -1 7 {} N 0.0 {0.399579946804 0.610916241206 0.464102774514} N8 2888 -1 8 {} O 0.0 {0.377928177767 0.610383177436 0.443040494107} O5 2889 -1 1 {} H 0.0 {0.388828743587 0.594748987995 0.491140504983} H1 2890 -1 1 {} H 0.0 {0.384898133703 0.616714901709 0.484385424094} H2 2891 -1 1 {} H 0.0 {0.376340396183 0.584967762053 0.415508081991} H3 2892 -1 1 {} H 0.0 {0.376484462763 0.600584006485 0.422617969657} H4 2893 -1 1 {} H 0.0 {0.400878129129 0.563820992272 0.43262884528} H5 2894 -1 1 {} H 0.0 {0.410727139057 0.573156935063 0.422131733996} H6 2895 -1 1 {} H 0.0 {0.399185282479 0.608380039953 0.423387544804} H7 2896 -1 1 {} H 0.0 {0.412100707115 0.597320685989 0.421068088335} H8 2897 -1 1 {} H 0.0 {0.355226162844 0.575357208627 0.456570084535} H9 2898 -1 1 {} H 0.0 {0.359619605269 0.576127386139 0.440001200887} H10 2899 -1 1 {} H 0.0 {0.382843697127 0.560631888388 0.433156585557} H11 2900 -1 1 {} H 0.0 {0.372651500226 0.551483039414 0.443495740193} H12 2901 -1 1 {} H 0.0 {0.385894292988 0.559026780796 0.47257482221} H13 2902 -1 1 {} H 0.0 {0.369526172583 0.563902061635 0.474269534544} H14 2903 -1 1 {} H 0.0 {0.346359472614 0.574521833407 0.507553378411} H15 2904 -1 1 {} H 0.0 {0.347929117558 0.595763981485 0.525221387758} H16 2905 -1 1 {} H 0.0 {0.363697566526 0.603064517625 0.529081438135} H17 2906 -1 1 {} H 0.0 {0.360855533119 0.585792868458 0.532311983635} H18 2907 -1 1 {} H 0.0 {0.388307410673 0.590534632332 0.513474830944} H19 2908 -1 1 {} H 0.0 {0.404502754709 0.615780911829 0.455994412351} H20 2909 -1 1 {} H 0.0 {0.406604887697 0.603836825916 0.468139631761} H21 2910 -1 1 {} H 0.0 {0.377450650308 0.620553485588 0.445547145656} H22 2911 -1 14 {} Si 0.0 {0.357704253934 0.312724404298 0.370880808134} Si1 2912 -1 8 {} O 0.0 {0.363613040315 0.326205660145 0.359877365481} O1 2913 -1 14 {} Si 0.0 {0.382024358653 0.327193113454 0.360658183075} Si2 2914 -1 8 {} O 0.0 {0.387235853683 0.337866776231 0.374729558667} O2 2915 -1 14 {} Si 0.0 {0.388187736039 0.328376475241 0.390721493001} Si3 2916 -1 7 {} N 0.0 {0.400193958354 0.314616681708 0.389936381098} N1 2917 -1 14 {} Si 0.0 {0.391660070984 0.298973117368 0.383815057717} Si4 2918 -1 14 {} Si 0.0 {0.404842919502 0.311538524084 0.407720693181} Si5 2919 -1 7 {} N 0.0 {0.403276408354 0.284631140099 0.386169446059} N2 2920 -1 7 {} N 0.0 {0.387421340386 0.300297148835 0.365759322799} N3 2921 -1 7 {} N 0.0 {0.376255023093 0.295977834 0.393755239046} N4 2922 -1 7 {} N 0.0 {0.389465619347 0.312298488804 0.418111259764} N5 2923 -1 7 {} N 0.0 {0.412491211233 0.294685464091 0.409248005139} N6 2924 -1 7 {} N 0.0 {0.416804823387 0.324622449733 0.413688127317} N7 2925 -1 8 {} O 0.0 {0.37195034046 0.305812180904 0.380141198809} O3 2926 -1 6 {} C 0.0 {0.349773067717 0.299090793921 0.360629448474} C1 2927 -1 8 {} O 0.0 {0.345339003777 0.319471632252 0.382711724978} O4 2928 -1 7 {} N 0.0 {0.371363328727 0.321779702204 0.395473802084} N8 2929 -1 8 {} O 0.0 {0.394601886811 0.339946441524 0.404090662332} O5 2930 -1 1 {} H 0.0 {0.386928826602 0.332820180866 0.34846180269} H1 2931 -1 1 {} H 0.0 {0.387448109208 0.31424432443 0.362318603547} H2 2932 -1 1 {} H 0.0 {0.41136461132 0.285962967693 0.379341811851} H3 2933 -1 1 {} H 0.0 {0.398003394137 0.275825509823 0.382981437826} H4 2934 -1 1 {} H 0.0 {0.379029741946 0.293971386628 0.363986254276} H5 2935 -1 1 {} H 0.0 {0.395675201706 0.296003416734 0.360328527875} H6 2936 -1 1 {} H 0.0 {0.378780373454 0.297480423941 0.403991664319} H7 2937 -1 1 {} H 0.0 {0.373897157667 0.28553179253 0.39269046594} H8 2938 -1 1 {} H 0.0 {0.391947254421 0.317535320892 0.427040740849} H9 2939 -1 1 {} H 0.0 {0.387185992989 0.30221216589 0.420992346851} H10 2940 -1 1 {} H 0.0 {0.405636679541 0.287729338224 0.404978295491} H11 2941 -1 1 {} H 0.0 {0.412957566599 0.292444202095 0.419755354951} H12 2942 -1 1 {} H 0.0 {0.42052435794 0.321513422884 0.423155819726} H13 2943 -1 1 {} H 0.0 {0.410994706946 0.333521984807 0.415490693355} H14 2944 -1 1 {} H 0.0 {0.372851930198 0.295595659114 0.377971100367} H15 2945 -1 1 {} H 0.0 {0.356491854995 0.290512681701 0.360183951542} H16 2946 -1 1 {} H 0.0 {0.347869805528 0.302741993667 0.350544016641} H17 2947 -1 1 {} H 0.0 {0.340361830742 0.296086465517 0.365246554675} H18 2948 -1 1 {} H 0.0 {0.335687510485 0.318206295696 0.378765231398} H19 2949 -1 1 {} H 0.0 {0.372872319771 0.312337761346 0.400223958255} H20 2950 -1 1 {} H 0.0 {0.366108548675 0.319790340281 0.386342062796} H21 2951 -1 1 {} H 0.0 {0.388039317125 0.34812659496 0.405310300146} H22 2952 -1 14 {} Si 0.0 {0.672055256977 0.420391289333 0.529774845221} Si1 2953 -1 8 {} O 0.0 {0.664077828288 0.436253632562 0.524509097952} O1 2954 -1 14 {} Si 0.0 {0.674359290922 0.450716702839 0.529601861629} Si2 2955 -1 8 {} O 0.0 {0.674344317526 0.463403919538 0.516091227684} O2 2956 -1 14 {} Si 0.0 {0.691338434971 0.464848419232 0.509125429557} Si3 2957 -1 7 {} N 0.0 {0.692876680952 0.480165716505 0.498453333121} N1 2958 -1 14 {} Si 0.0 {0.679401953756 0.479765249247 0.485632845698} Si4 2959 -1 14 {} Si 0.0 {0.708747345084 0.478513541985 0.489050055606} Si5 2960 -1 7 {} N 0.0 {0.687003591961 0.482716193617 0.468887193521} N2 2961 -1 7 {} N 0.0 {0.666937613178 0.49309532474 0.489156902016} N3 2962 -1 7 {} N 0.0 {0.671074575972 0.463173882609 0.485755958984} N4 2963 -1 7 {} N 0.0 {0.711051995179 0.460704030692 0.484398651511} N5 2964 -1 7 {} N 0.0 {0.707885586196 0.488852557917 0.473613530257} N6 2965 -1 7 {} N 0.0 {0.723013759509 0.484147417118 0.499536383314} N7 2966 -1 8 {} O 0.0 {0.665656513614 0.415438634237 0.54632266964} O3 2967 -1 6 {} C 0.0 {0.69073947815 0.42246303965 0.530644989432} C1 2968 -1 8 {} O 0.0 {0.667999190643 0.407265583639 0.517540777133} O4 2969 -1 7 {} N 0.0 {0.695054245215 0.449840738345 0.498846232794} N8 2970 -1 8 {} O 0.0 {0.703417067264 0.46588557897 0.522968156775} O5 2971 -1 1 {} H 0.0 {0.687763145841 0.446414432511 0.532109888982} H1 2972 -1 1 {} H 0.0 {0.668903018841 0.456463017285 0.541520617715} H2 2973 -1 1 {} H 0.0 {0.684981711087 0.492832149198 0.466219842626} H3 2974 -1 1 {} H 0.0 {0.681612692949 0.476565655185 0.461906609121} H4 2975 -1 1 {} H 0.0 {0.663540202189 0.491692177498 0.499141579992} H5 2976 -1 1 {} H 0.0 {0.658501364879 0.491196344877 0.482745259979} H6 2977 -1 1 {} H 0.0 {0.675792449763 0.457235816222 0.478257320986} H7 2978 -1 1 {} H 0.0 {0.660964414197 0.464786428009 0.482459510503} H8 2979 -1 1 {} H 0.0 {0.72145767526 0.458987397582 0.483645886327} H9 2980 -1 1 {} H 0.0 {0.707021528167 0.459558671871 0.474491975598} H10 2981 -1 1 {} H 0.0 {0.714536325267 0.484498096439 0.466517742099} H11 2982 -1 1 {} H 0.0 {0.71195624466 0.498488303438 0.476117136803} H12 2983 -1 1 {} H 0.0 {0.728354912672 0.491467202208 0.493912311409} H13 2984 -1 1 {} H 0.0 {0.729594271349 0.475696041038 0.500574045994} H14 2985 -1 1 {} H 0.0 {0.671059809206 0.420438096361 0.553805193022} H15 2986 -1 1 {} H 0.0 {0.693360346803 0.428234080173 0.539506168252} H16 2987 -1 1 {} H 0.0 {0.694245035101 0.427667240187 0.521741551529} H17 2988 -1 1 {} H 0.0 {0.695455385402 0.412629875173 0.531193643053} H18 2989 -1 1 {} H 0.0 {0.665062054402 0.411724057176 0.508497193036} H19 2990 -1 1 {} H 0.0 {0.694102799597 0.452709326266 0.488631396267} H20 2991 -1 1 {} H 0.0 {0.687193742273 0.442761676248 0.50078232263} H21 2992 -1 1 {} H 0.0 {0.698287391746 0.467838031466 0.531932360275} H22 2993 -1 14 {} Si 0.0 {0.595026099167 0.552320422948 0.466046773743} Si1 2994 -1 8 {} O 0.0 {0.609855169801 0.555625848617 0.455817083839} O1 2995 -1 14 {} Si 0.0 {0.604559189306 0.563883806731 0.440334598279} Si2 2996 -1 8 {} O 0.0 {0.619141834025 0.566670111167 0.429559072263} O2 2997 -1 14 {} Si 0.0 {0.61664750012 0.582224308025 0.42016522067} Si3 2998 -1 7 {} N 0.0 {0.632414145283 0.592138275295 0.420244627565} N1 2999 -1 14 {} Si 0.0 {0.629354927544 0.607793654594 0.410515935812} Si4 3000 -1 14 {} Si 0.0 {0.645277219822 0.58220945574 0.411091849382} Si5 3001 -1 7 {} N 0.0 {0.618877636393 0.619414406094 0.420560724172} N2 3002 -1 7 {} N 0.0 {0.62057141088 0.603767371375 0.394673450408} N3 3003 -1 7 {} N 0.0 {0.645564439774 0.615961052569 0.406601346245} N4 3004 -1 7 {} N 0.0 {0.652693032629 0.569558888398 0.422539833188} N5 3005 -1 7 {} N 0.0 {0.637385517444 0.573549619012 0.39666637298} N6 3006 -1 7 {} N 0.0 {0.658658708243 0.593556458633 0.404964552727} N7 3007 -1 8 {} O 0.0 {0.587894140018 0.56830285527 0.471768836763} O3 3008 -1 6 {} C 0.0 {0.599788378197 0.54182227189 0.48088504805} C1 3009 -1 8 {} O 0.0 {0.582537312928 0.543326825731 0.455987317615} O4 3010 -1 7 {} N 0.0 {0.603062484107 0.592069539872 0.428181863526} N8 3011 -1 8 {} O 0.0 {0.611909763266 0.5781608245 0.402879210197} O5 3012 -1 1 {} H 0.0 {0.598500788593 0.576453105414 0.443482532284} H1 3013 -1 1 {} H 0.0 {0.595086034843 0.555611630686 0.433532815664} H2 3014 -1 1 {} H 0.0 {0.610770743281 0.622510043595 0.414365926503} H3 3015 -1 1 {} H 0.0 {0.624861130883 0.6281738233 0.422368674435} H4 3016 -1 1 {} H 0.0 {0.62769926039 0.604562014498 0.38680683545} H5 3017 -1 1 {} H 0.0 {0.6133459479 0.611585418584 0.393072142371} H6 3018 -1 1 {} H 0.0 {0.648459224704 0.621510319276 0.415216079079} H7 3019 -1 1 {} H 0.0 {0.643582821907 0.623158579203 0.398844432961} H8 3020 -1 1 {} H 0.0 {0.660910722995 0.565096371984 0.417413924335} H9 3021 -1 1 {} H 0.0 {0.645313125741 0.561828210592 0.423796324667} H10 3022 -1 1 {} H 0.0 {0.628055864545 0.569669929236 0.400035292099} H11 3023 -1 1 {} H 0.0 {0.643594307457 0.565051147552 0.394405708378} H12 3024 -1 1 {} H 0.0 {0.663775928474 0.588460507739 0.397131898601} H13 3025 -1 1 {} H 0.0 {0.665705895812 0.594641595033 0.413026781312} H14 3026 -1 1 {} H 0.0 {0.594954466957 0.573380510997 0.477656566181} H15 3027 -1 1 {} H 0.0 {0.607530178432 0.546837210727 0.486538530604} H16 3028 -1 1 {} H 0.0 {0.603474067101 0.532159883582 0.477462942238} H17 3029 -1 1 {} H 0.0 {0.59108922845 0.540349823503 0.487223784928} H18 3030 -1 1 {} H 0.0 {0.585310697696 0.543670822785 0.445874747174} H19 3031 -1 1 {} H 0.0 {0.604194120718 0.602171697202 0.425031624373} H20 3032 -1 1 {} H 0.0 {0.604990507019 0.591925936616 0.438773334258} H21 3033 -1 1 {} H 0.0 {0.601744826872 0.5755267705 0.402582126873} H22 3034 -1 14 {} Si 0.0 {0.443401567591 0.579125017716 0.631689586137} Si1 3035 -1 8 {} O 0.0 {0.460217128006 0.571987065284 0.633310865123} O1 3036 -1 14 {} Si 0.0 {0.46394035424 0.561828029524 0.618430895473} Si2 3037 -1 8 {} O 0.0 {0.481717680594 0.563973217341 0.614394472828} O2 3038 -1 14 {} Si 0.0 {0.486702909274 0.558899455886 0.597228259527} Si3 3039 -1 7 {} N 0.0 {0.48176429029 0.571911609886 0.584263513392} N1 3040 -1 14 {} Si 0.0 {0.463403600266 0.573151366086 0.584597486523} Si4 3041 -1 14 {} Si 0.0 {0.486502701672 0.565708344976 0.566874780833} Si5 3042 -1 7 {} N 0.0 {0.458308066996 0.58386007004 0.599212312204} N2 3043 -1 7 {} N 0.0 {0.456284633858 0.555921504334 0.586154755316} N3 3044 -1 7 {} N 0.0 {0.457349443672 0.580888476089 0.568806933125} N4 3045 -1 7 {} N 0.0 {0.478461742187 0.576349135574 0.553935845243} N5 3046 -1 7 {} N 0.0 {0.505125406866 0.566266338762 0.564476310389} N6 3047 -1 7 {} N 0.0 {0.480771843412 0.548142448992 0.564768125614} N7 3048 -1 8 {} O 0.0 {0.443647510933 0.593134592981 0.619743124189} O3 3049 -1 6 {} C 0.0 {0.437639549812 0.585337854521 0.648365156049} C1 3050 -1 8 {} O 0.0 {0.43192628035 0.566115621867 0.625703523466} O4 3051 -1 7 {} N 0.0 {0.47911290603 0.54247319535 0.592973931934} N8 3052 -1 8 {} O 0.0 {0.505207277918 0.557300227454 0.597321410044} O5 3053 -1 1 {} H 0.0 {0.455892431979 0.566258503566 0.607794092328} H1 3054 -1 1 {} H 0.0 {0.461191565515 0.548092590573 0.621202503405} H2 3055 -1 1 {} H 0.0 {0.44769303334 0.583347327412 0.600258834777} H3 3056 -1 1 {} H 0.0 {0.460579243511 0.594013741495 0.596497155811} H4 3057 -1 1 {} H 0.0 {0.460403322184 0.551468555971 0.594897389074} H5 3058 -1 1 {} H 0.0 {0.460016149791 0.550265993656 0.577789603231} H6 3059 -1 1 {} H 0.0 {0.46045638671 0.591068769942 0.568882652586} H7 3060 -1 1 {} H 0.0 {0.446590255089 0.580961663926 0.569332429875} H8 3061 -1 1 {} H 0.0 {0.481081668003 0.572246461075 0.544429401684} H9 3062 -1 1 {} H 0.0 {0.483196257831 0.585989014202 0.554497323853} H10 3063 -1 1 {} H 0.0 {0.509436514611 0.569400818935 0.573677529674} H11 3064 -1 1 {} H 0.0 {0.507151732923 0.573955735717 0.557228093904} H12 3065 -1 1 {} H 0.0 {0.489499356671 0.542100881398 0.563613055719} H13 3066 -1 1 {} H 0.0 {0.475514052929 0.547719980313 0.555391453372} H14 3067 -1 1 {} H 0.0 {0.435542004425 0.599544510652 0.621719294906} H15 3068 -1 1 {} H 0.0 {0.435338801063 0.595906492591 0.647656151839} H16 3069 -1 1 {} H 0.0 {0.445538519246 0.583802516342 0.655743662658} H17 3070 -1 1 {} H 0.0 {0.428705982246 0.57988728208 0.651357928424} H18 3071 -1 1 {} H 0.0 {0.422921146276 0.570536300212 0.622721245648} H19 3072 -1 1 {} H 0.0 {0.474545369477 0.543484755299 0.583411756628} H20 3073 -1 1 {} H 0.0 {0.471164160935 0.540819016839 0.600019773428} H21 3074 -1 1 {} H 0.0 {0.508324028604 0.55337518323 0.606550981293} H22 3075 -1 14 {} Si 0.0 {0.440297762774 0.561031972749 0.705873356662} Si1 3076 -1 8 {} O 0.0 {0.42887086288 0.546631152924 0.705851857047} O1 3077 -1 14 {} Si 0.0 {0.434749430628 0.534164747848 0.257889790926} Si2 3078 -1 8 {} O 0.0 {0.451165041643 0.52778354284 0.252667086155} O2 3079 -1 14 {} Si 0.0 {0.449949974529 0.509639022639 0.25015483078} Si3 3080 -1 7 {} N 0.0 {0.466960214789 0.502372949634 0.708840352272} N1 3081 -1 14 {} Si 0.0 {0.472889525329 0.499070516267 0.266011986146} Si4 3082 -1 14 {} Si 0.0 {0.478000250351 0.515432274302 0.701472055319} Si5 3083 -1 7 {} N 0.0 {0.473071662913 0.480738601817 0.269027848722} N2 3084 -1 7 {} N 0.0 {0.46137298174 0.507215217143 0.278131615018} N3 3085 -1 7 {} N 0.0 {0.490027639894 0.505907266353 0.26820667721} N4 3086 -1 7 {} N 0.0 {0.495608227041 0.509482160413 0.70169470158} N5 3087 -1 7 {} N 0.0 {0.472800688665 0.518728209624 0.683917238604} N6 3088 -1 7 {} N 0.0 {0.47662246612 0.53110448327 0.251245905027} N7 3089 -1 8 {} O 0.0 {0.430900895186 0.576275607097 0.249957539103} O3 3090 -1 6 {} C 0.0 {0.448045505774 0.562921008269 0.688830725015} C1 3091 -1 8 {} O 0.0 {0.453533951073 0.558331995469 0.258242485099} O4 3092 -1 7 {} N 0.0 {0.440357062036 0.506157203075 0.694777765572} N8 3093 -1 8 {} O 0.0 {0.441300514908 0.502080728236 0.26452241889} O5 3094 -1 1 {} H 0.0 {0.425430284567 0.523334580041 0.258486457127} H1 3095 -1 1 {} H 0.0 {0.435859578548 0.54021623345 0.270796342484} H2 3096 -1 1 {} H 0.0 {0.465440925715 0.478638933817 0.276160089877} H3 3097 -1 1 {} H 0.0 {0.482436795642 0.478493307363 0.273807972393} H4 3098 -1 1 {} H 0.0 {0.466757432705 0.515156850335 0.282763239847} H5 3099 -1 1 {} H 0.0 {0.459371620272 0.499971354552 0.285831485055} H6 3100 -1 1 {} H 0.0 {0.496006821345 0.498138119436 0.272385436855} H7 3101 -1 1 {} H 0.0 {0.489335356164 0.513600701027 0.275703080524} H8 3102 -1 1 {} H 0.0 {0.500860836655 0.515428592181 0.708802656343} H9 3103 -1 1 {} H 0.0 {0.499778133632 0.511829275271 0.692057860551} H10 3104 -1 1 {} H 0.0 {0.474163305994 0.50967491414 0.678464059165} H11 3105 -1 1 {} H 0.0 {0.479828527128 0.525814086314 0.679892884584} H12 3106 -1 1 {} H 0.0 {0.483460148598 0.538112103557 0.707157005821} H13 3107 -1 1 {} H 0.0 {0.480254374608 0.528846438893 0.261114569142} H14 3108 -1 1 {} H 0.0 {0.420659994076 0.57461760096 0.708455103501} H15 3109 -1 1 {} H 0.0 {0.457206845577 0.568748026425 0.689632018828} H16 3110 -1 1 {} H 0.0 {0.441080132647 0.568021218289 0.682210596584} H17 3111 -1 1 {} H 0.0 {0.450341329138 0.553076269504 0.684777095146} H18 3112 -1 1 {} H 0.0 {0.456788856421 0.548360842321 0.257780230262} H19 3113 -1 1 {} H 0.0 {0.433014503706 0.498837933644 0.697208074493} H20 3114 -1 1 {} H 0.0 {0.447184263308 0.501479667079 0.687913758459} H21 3115 -1 1 {} H 0.0 {0.436882359937 0.509649907325 0.270306785753} H22 3116 -1 14 {} Si 0.0 {0.39484110468 0.40642544556 0.544267997113} Si1 3117 -1 8 {} O 0.0 {0.381882597582 0.401596879213 0.556456994924} O1 3118 -1 14 {} Si 0.0 {0.389743342792 0.394431077188 0.571545444971} Si2 3119 -1 8 {} O 0.0 {0.395463388016 0.40797102218 0.582764704779} O2 3120 -1 14 {} Si 0.0 {0.380964916014 0.416022777973 0.590880833007} Si3 3121 -1 7 {} N 0.0 {0.369294914224 0.422187951059 0.577813413959} N1 3122 -1 14 {} Si 0.0 {0.354329489833 0.411232317689 0.578338521147} Si4 3123 -1 14 {} Si 0.0 {0.37769040832 0.419066439445 0.561738882287} Si5 3124 -1 7 {} N 0.0 {0.341965498459 0.416934730279 0.565687648063} N2 3125 -1 7 {} N 0.0 {0.346752371152 0.41203664294 0.595248292235} N3 3126 -1 7 {} N 0.0 {0.359375978191 0.393728343918 0.574639582312} N4 3127 -1 7 {} N 0.0 {0.378560016474 0.434870583906 0.551938870115} N5 3128 -1 7 {} N 0.0 {0.394909371234 0.412652358419 0.565481512442} N6 3129 -1 7 {} N 0.0 {0.367906530683 0.406396453704 0.552168514624} N7 3130 -1 8 {} O 0.0 {0.40990176941 0.396329934413 0.547306172521} O3 3131 -1 6 {} C 0.0 {0.399058702825 0.424810799585 0.546560913556} C1 3132 -1 8 {} O 0.0 {0.388803936068 0.403335001204 0.527078891261} O4 3133 -1 7 {} N 0.0 {0.386816270611 0.430302827906 0.601248763971} N8 3134 -1 8 {} O 0.0 {0.372369359712 0.40378602782 0.601556751276} O5 3135 -1 1 {} H 0.0 {0.400937990061 0.386424704852 0.567682306767} H1 3136 -1 1 {} H 0.0 {0.380229128199 0.386277238089 0.578429780375} H2 3137 -1 1 {} H 0.0 {0.33410322357 0.42183532295 0.570945187043} H3 3138 -1 1 {} H 0.0 {0.337684768914 0.40806513836 0.561348400156} H4 3139 -1 1 {} H 0.0 {0.342572809617 0.421770208217 0.596365841676} H5 3140 -1 1 {} H 0.0 {0.35486962785 0.411363850551 0.60227919162} H6 3141 -1 1 {} H 0.0 {0.357142324985 0.391878643005 0.564387814396} H7 3142 -1 1 {} H 0.0 {0.352873468448 0.387389193343 0.580374490504} H8 3143 -1 1 {} H 0.0 {0.3782909927 0.432203629679 0.541619400622} H9 3144 -1 1 {} H 0.0 {0.388243633546 0.439158912106 0.553759837782} H10 3145 -1 1 {} H 0.0 {0.399261521433 0.419317818844 0.572552103549} H11 3146 -1 1 {} H 0.0 {0.400699073559 0.413567949544 0.556614398218} H12 3147 -1 1 {} H 0.0 {0.366163384099 0.41041041082 0.542468294765} H13 3148 -1 1 {} H 0.0 {0.3582942261 0.405686209806 0.556952752457} H14 3149 -1 1 {} H 0.0 {0.417316733943 0.39896847105 0.540388530956} H15 3150 -1 1 {} H 0.0 {0.409616178505 0.426390193999 0.544431986629} H16 3151 -1 1 {} H 0.0 {0.396988630853 0.427743644111 0.556872702138} H17 3152 -1 1 {} H 0.0 {0.393057693578 0.430888161471 0.539823061632} H18 3153 -1 1 {} H 0.0 {0.383527190988 0.411729706564 0.523571818842} H19 3154 -1 1 {} H 0.0 {0.381635447796 0.438980624597 0.597881549002} H20 3155 -1 1 {} H 0.0 {0.397204066991 0.43180597695 0.598848346168} H21 3156 -1 1 {} H 0.0 {0.379492351074 0.397690127782 0.60628101658} H22 3157 -1 14 {} Si 0.0 {0.528578952071 0.380982330726 0.418759361751} Si1 3158 -1 8 {} O 0.0 {0.535726070774 0.397856864448 0.419702134335} O1 3159 -1 14 {} Si 0.0 {0.552743347727 0.39748955817 0.41280507375} Si2 3160 -1 8 {} O 0.0 {0.564739282412 0.399756295331 0.42639375516} O2 3161 -1 14 {} Si 0.0 {0.555671376583 0.397912276549 0.442116124662} Si3 3162 -1 7 {} N 0.0 {0.566298682895 0.389271056501 0.454606098474} N1 3163 -1 14 {} Si 0.0 {0.558124461407 0.391823132052 0.471066684019} Si4 3164 -1 14 {} Si 0.0 {0.582884276464 0.397865555643 0.454894302488} Si5 3165 -1 7 {} N 0.0 {0.570982971055 0.394470157156 0.484179610451} N2 3166 -1 7 {} N 0.0 {0.547984496862 0.376797613615 0.475172202877} N3 3167 -1 7 {} N 0.0 {0.546980312862 0.406697898038 0.4701747411} N4 3168 -1 7 {} N 0.0 {0.588692576771 0.400510013561 0.43745949708} N5 3169 -1 7 {} N 0.0 {0.581396603716 0.4142452326 0.463640620083} N6 3170 -1 7 {} N 0.0 {0.595265480701 0.38723517138 0.463737928604} N7 3171 -1 8 {} O 0.0 {0.539331824753 0.369249693163 0.427996661342} O3 3172 -1 6 {} C 0.0 {0.527594536736 0.375719720827 0.400762950069} C1 3173 -1 8 {} O 0.0 {0.511728127949 0.380998807482 0.426135076376} O4 3174 -1 7 {} N 0.0 {0.540374159627 0.387804156107 0.439090129988} N8 3175 -1 8 {} O 0.0 {0.550859489572 0.414514592347 0.448400716012} O5 3176 -1 1 {} H 0.0 {0.554260134004 0.408022105142 0.403270263315} H1 3177 -1 1 {} H 0.0 {0.55502121543 0.384822993452 0.406519732907} H2 3178 -1 1 {} H 0.0 {0.566194688288 0.39308709147 0.493597521749} H3 3179 -1 1 {} H 0.0 {0.57380046958 0.404839116071 0.483673666839} H4 3180 -1 1 {} H 0.0 {0.549887370046 0.369548046584 0.467580618839} H5 3181 -1 1 {} H 0.0 {0.537663508263 0.379668600752 0.474128870847} H6 3182 -1 1 {} H 0.0 {0.553040968522 0.415300561407 0.471817367611} H7 3183 -1 1 {} H 0.0 {0.540264857221 0.406031633381 0.478557774149} H8 3184 -1 1 {} H 0.0 {0.59791629096 0.405838766437 0.437944138411} H9 3185 -1 1 {} H 0.0 {0.581595121154 0.407037458027 0.432834970769} H10 3186 -1 1 {} H 0.0 {0.572006587423 0.418460035198 0.460921912367} H11 3187 -1 1 {} H 0.0 {0.588961134019 0.420672328068 0.459486420304} H12 3188 -1 1 {} H 0.0 {0.603007314321 0.393672314337 0.467235765527} H13 3189 -1 1 {} H 0.0 {0.59972337011 0.380875966656 0.456280914397} H14 3190 -1 1 {} H 0.0 {0.54400300456 0.36272773057 0.421221030093} H15 3191 -1 1 {} H 0.0 {0.532290177033 0.365960825655 0.39956726712} H16 3192 -1 1 {} H 0.0 {0.532788391574 0.383031783618 0.394561731769} H17 3193 -1 1 {} H 0.0 {0.517154040583 0.375133104793 0.397710744302} H18 3194 -1 1 {} H 0.0 {0.505311242427 0.375216272494 0.420174300961} H19 3195 -1 1 {} H 0.0 {0.532220880865 0.392985993291 0.443560219487} H20 3196 -1 1 {} H 0.0 {0.541591521966 0.378650641468 0.444609224556} H21 3197 -1 1 {} H 0.0 {0.541720551972 0.417367917262 0.444047700875} H22 3198 -1 14 {} Si 0.0 {0.425183996581 0.458099665004 0.51238218136} Si1 3199 -1 8 {} O 0.0 {0.423427904204 0.46597317502 0.528962173897} O1 3200 -1 14 {} Si 0.0 {0.431309922957 0.482603073678 0.528637208055} Si2 3201 -1 8 {} O 0.0 {0.44547828005 0.483200312483 0.540473980024} O2 3202 -1 14 {} Si 0.0 {0.443060324269 0.471186526582 0.554305128588} Si3 3203 -1 7 {} N 0.0 {0.458970241593 0.461790889516 0.556903058173} N1 3204 -1 14 {} Si 0.0 {0.458105922721 0.453182104057 0.573426251512} Si4 3205 -1 14 {} Si 0.0 {0.472561928175 0.474439906115 0.558048351037} Si5 3206 -1 7 {} N 0.0 {0.45518825214 0.465658378347 0.586883822477} N2 3207 -1 7 {} N 0.0 {0.47425116394 0.444470380835 0.576593089308} N3 3208 -1 7 {} N 0.0 {0.444216802869 0.440802012013 0.57333855532} N4 3209 -1 7 {} N 0.0 {0.46815611272 0.487045855681 0.570980626033} N5 3210 -1 7 {} N 0.0 {0.48850671133 0.466096895179 0.562714599464} N6 3211 -1 7 {} N 0.0 {0.474568833445 0.482879673756 0.541616290339} N7 3212 -1 8 {} O 0.0 {0.429138885417 0.470988210105 0.499846213593} O3 3213 -1 6 {} C 0.0 {0.409104492396 0.449535525435 0.507651751324} C1 3214 -1 8 {} O 0.0 {0.438772070398 0.445718312134 0.512940797567} O4 3215 -1 7 {} N 0.0 {0.429292239665 0.459374625271 0.550137106249} N8 3216 -1 8 {} O 0.0 {0.438818042449 0.480363012653 0.569680747104} O5 3217 -1 1 {} H 0.0 {0.421675035158 0.492523587318 0.532258367779} H1 3218 -1 1 {} H 0.0 {0.436109617997 0.485277295055 0.515424662847} H2 3219 -1 1 {} H 0.0 {0.456890211254 0.460710759925 0.59618340455} H3 3220 -1 1 {} H 0.0 {0.444729491084 0.468112348497 0.586600065018} H4 3221 -1 1 {} H 0.0 {0.473090851938 0.434401653675 0.573456677395} H5 3222 -1 1 {} H 0.0 {0.475596890436 0.444222983003 0.587260519389} H6 3223 -1 1 {} H 0.0 {0.436665804656 0.444485441008 0.579902635053} H7 3224 -1 1 {} H 0.0 {0.448058151335 0.431814513617 0.577838690369} H8 3225 -1 1 {} H 0.0 {0.466063185307 0.496177408084 0.565908702318} H9 3226 -1 1 {} H 0.0 {0.477044447587 0.488736973116 0.576787536036} H10 3227 -1 1 {} H 0.0 {0.488917844666 0.465800821956 0.573356215369} H11 3228 -1 1 {} H 0.0 {0.49644746694 0.472628238906 0.559527083046} H12 3229 -1 1 {} H 0.0 {0.482782957022 0.478237889453 0.536668952068} H13 3230 -1 1 {} H 0.0 {0.477569062683 0.493000808141 0.543697760834} H14 3231 -1 1 {} H 0.0 {0.420365851356 0.473700980026 0.494737558014} H15 3232 -1 1 {} H 0.0 {0.401078400423 0.45689167709 0.507127700072} H16 3233 -1 1 {} H 0.0 {0.406654304416 0.4420068223 0.515136650092} H17 3234 -1 1 {} H 0.0 {0.410274416155 0.444741357621 0.49792478645} H18 3235 -1 1 {} H 0.0 {0.443086035666 0.444844103818 0.503416332659} H19 3236 -1 1 {} H 0.0 {0.42988778614 0.451261964952 0.557024064142} H20 3237 -1 1 {} H 0.0 {0.431518172959 0.455323072664 0.540435780594} H21 3238 -1 1 {} H 0.0 {0.430767337062 0.486826897549 0.567777279638} H22 3239 -1 14 {} Si 0.0 {0.544047511603 0.625477878847 0.472064097906} Si1 3240 -1 8 {} O 0.0 {0.55275761834 0.636588442918 0.459561221777} O1 3241 -1 14 {} Si 0.0 {0.541635627574 0.65019154525 0.453394067858} Si2 3242 -1 8 {} O 0.0 {0.526428827846 0.642417483735 0.447373419798} O2 3243 -1 14 {} Si 0.0 {0.526196897493 0.62672796318 0.456116543761} Si3 3244 -1 7 {} N 0.0 {0.515571339064 0.614274681402 0.447885774795} N1 3245 -1 14 {} Si 0.0 {0.511442349663 0.601728015798 0.46109131753} Si4 3246 -1 14 {} Si 0.0 {0.526616395309 0.605785386711 0.435666143184} Si5 3247 -1 7 {} N 0.0 {0.524864924705 0.588905352984 0.461698105971} N2 3248 -1 7 {} N 0.0 {0.495272477247 0.593573379082 0.457189177951} N3 3249 -1 7 {} N 0.0 {0.510230069738 0.610153437475 0.477698654808} N4 3250 -1 7 {} N 0.0 {0.542171294956 0.615779685538 0.433552475478} N5 3251 -1 7 {} N 0.0 {0.530998009859 0.588856472086 0.441945874756} N6 3252 -1 7 {} N 0.0 {0.518009293118 0.604333892274 0.419383937106} N7 3253 -1 8 {} O 0.0 {0.53191195703 0.61423134595 0.463854847764} O3 3254 -1 6 {} C 0.0 {0.535202617373 0.636027640126 0.485018359197} C1 3255 -1 8 {} O 0.0 {0.556701747899 0.614999712387 0.4804482011} O4 3256 -1 7 {} N 0.0 {0.520198329952 0.629665126539 0.473384798176} N8 3257 -1 8 {} O 0.0 {0.543546621692 0.62025489625 0.456408760759} O5 3258 -1 1 {} H 0.0 {0.548048602665 0.65728910214 0.442765526574} H1 3259 -1 1 {} H 0.0 {0.538568964822 0.65917415814 0.46409212669} H2 3260 -1 1 {} H 0.0 {0.520870184028 0.58040899015 0.466700488126} H3 3261 -1 1 {} H 0.0 {0.532628984152 0.592850635471 0.468044354013} H4 3262 -1 1 {} H 0.0 {0.487717597794 0.601027635552 0.458041201089} H5 3263 -1 1 {} H 0.0 {0.493457891488 0.586466746033 0.465059159491} H6 3264 -1 1 {} H 0.0 {0.518073738016 0.606275253073 0.483818835005} H7 3265 -1 1 {} H 0.0 {0.500998664712 0.606890706838 0.482152821126} H8 3266 -1 1 {} H 0.0 {0.543763292078 0.616988608734 0.423092870723} H9 3267 -1 1 {} H 0.0 {0.550270771883 0.609705366011 0.437206066691} H10 3268 -1 1 {} H 0.0 {0.541530415511 0.588740369374 0.443610947226} H11 3269 -1 1 {} H 0.0 {0.529100769262 0.581997187639 0.433886624563} H12 3270 -1 1 {} H 0.0 {0.514484985641 0.594344503949 0.418584035569} H13 3271 -1 1 {} H 0.0 {0.525562906926 0.605512413101 0.411865030541} H14 3272 -1 1 {} H 0.0 {0.524509604069 0.611534564571 0.470710341505} H15 3273 -1 1 {} H 0.0 {0.52566348476 0.631437039848 0.487607005014} H16 3274 -1 1 {} H 0.0 {0.533476056132 0.646017583706 0.481015921035} H17 3275 -1 1 {} H 0.0 {0.541380783441 0.636729135876 0.493969598005} H18 3276 -1 1 {} H 0.0 {0.559222929508 0.606933730642 0.474214877786} H19 3277 -1 1 {} H 0.0 {0.510079608586 0.626433010438 0.473797549701} H20 3278 -1 1 {} H 0.0 {0.520042498851 0.640347171291 0.474786190568} H21 3279 -1 1 {} H 0.0 {0.548880598008 0.624170185108 0.448252902391} H22 3280 -1 14 {} Si 0.0 {0.620143826878 0.669957000975 0.470810576798} Si1 3281 -1 8 {} O 0.0 {0.604851067214 0.65986154205 0.472471905292} O1 3282 -1 14 {} Si 0.0 {0.603494113349 0.653379682954 0.489724945396} Si2 3283 -1 8 {} O 0.0 {0.585679377257 0.654130469551 0.494996125243} O2 3284 -1 14 {} Si 0.0 {0.580305087247 0.638553745301 0.503842949132} Si3 3285 -1 7 {} N 0.0 {0.562356307755 0.639994369336 0.507844166852} N1 3286 -1 14 {} Si 0.0 {0.554949253363 0.649884628634 0.494150977023} Si4 3287 -1 14 {} Si 0.0 {0.560805502194 0.649987491027 0.523354334246} Si5 3288 -1 7 {} N 0.0 {0.539064054796 0.657708380941 0.499766003685} N2 3289 -1 7 {} N 0.0 {0.551757457983 0.638423839847 0.480300639223} N3 3290 -1 7 {} N 0.0 {0.566885895583 0.662994144056 0.488611410364} N4 3291 -1 7 {} N 0.0 {0.576804067474 0.649388594603 0.53275583587} N5 3292 -1 7 {} N 0.0 {0.556807755046 0.667585161886 0.518947539475} N6 3293 -1 7 {} N 0.0 {0.547189242111 0.642917189274 0.533836511844} N7 3294 -1 8 {} O 0.0 {0.627287876943 0.667579609457 0.454021359182} O3 3295 -1 6 {} C 0.0 {0.632588097696 0.664468260496 0.483716702799} C1 3296 -1 8 {} O 0.0 {0.616120222743 0.68776019434 0.473276250947} O4 3297 -1 7 {} N 0.0 {0.5900360362 0.636640361703 0.519657972616} N8 3298 -1 8 {} O 0.0 {0.583126483433 0.623920600452 0.492986962314} O5 3299 -1 1 {} H 0.0 {0.611402248266 0.661384700849 0.498438448105} H1 3300 -1 1 {} H 0.0 {0.608197160924 0.639813309147 0.490152353812} H2 3301 -1 1 {} H 0.0 {0.533001621105 0.659102631898 0.491117437668} H3 3302 -1 1 {} H 0.0 {0.54157862005 0.667530846093 0.503351529111} H4 3303 -1 1 {} H 0.0 {0.552408537465 0.628655283589 0.484454100874} H5 3304 -1 1 {} H 0.0 {0.560051685917 0.639403059894 0.473541916289} H6 3305 -1 1 {} H 0.0 {0.561196132642 0.670592827655 0.483776703087} H7 3306 -1 1 {} H 0.0 {0.573059934012 0.65850705738 0.481013419164} H8 3307 -1 1 {} H 0.0 {0.575434021178 0.642652128863 0.54089349835} H9 3308 -1 1 {} H 0.0 {0.578216744162 0.659139195744 0.537053599718} H10 3309 -1 1 {} H 0.0 {0.565077335582 0.673560074314 0.522000909911} H11 3310 -1 1 {} H 0.0 {0.548484219215 0.670489302192 0.525103266852} H12 3311 -1 1 {} H 0.0 {0.539894485719 0.65056139945 0.535122199528} H13 3312 -1 1 {} H 0.0 {0.551428697089 0.641046330392 0.543546147644} H14 3313 -1 1 {} H 0.0 {0.637612946537 0.665877886227 0.454832568769} H15 3314 -1 1 {} H 0.0 {0.639377506077 0.65716285158 0.479330041962} H16 3315 -1 1 {} H 0.0 {0.627332067408 0.659949800172 0.492122881546} H17 3316 -1 1 {} H 0.0 {0.638266474506 0.673082131302 0.487185873908} H18 3317 -1 1 {} H 0.0 {0.618077479269 0.690440764953 0.483233056333} H19 3318 -1 1 {} H 0.0 {0.58426647867 0.630526285458 0.526208892665} H20 3319 -1 1 {} H 0.0 {0.590519039337 0.646370846321 0.5242124957} H21 3320 -1 1 {} H 0.0 {0.59323198718 0.623613192643 0.490072598757} H22 3321 -1 14 {} Si 0.0 {0.524239950466 0.376546817082 0.655652060711} Si1 3322 -1 8 {} O 0.0 {0.530514266347 0.393767450694 0.652815325893} O1 3323 -1 14 {} Si 0.0 {0.530470623688 0.396816268958 0.634747015782} Si2 3324 -1 8 {} O 0.0 {0.537426749921 0.413504543244 0.6303874624} O2 3325 -1 14 {} Si 0.0 {0.546350281737 0.420911133861 0.644495667152} Si3 3326 -1 7 {} N 0.0 {0.533891421026 0.42622786858 0.657438794667} N1 3327 -1 14 {} Si 0.0 {0.535911533422 0.415512231974 0.672474181093} Si4 3328 -1 14 {} Si 0.0 {0.516678153276 0.423162430655 0.650757005262} Si5 3329 -1 7 {} N 0.0 {0.547296171995 0.424216410133 0.684518629543} N2 3330 -1 7 {} N 0.0 {0.543286316456 0.399114506798 0.667856080179} N3 3331 -1 7 {} N 0.0 {0.519127873843 0.41277374479 0.680177046691} N4 3332 -1 7 {} N 0.0 {0.506595386621 0.438691004708 0.652329145439} N5 3333 -1 7 {} N 0.0 {0.517564847957 0.418192089627 0.632876199325} N6 3334 -1 7 {} N 0.0 {0.50861513372 0.409576573677 0.660528606188} N7 3335 -1 8 {} O 0.0 {0.505871490691 0.376746035339 0.656596826893} O3 3336 -1 6 {} C 0.0 {0.531264942608 0.369548797867 0.671652218218} C1 3337 -1 8 {} O 0.0 {0.529509088485 0.36587702531 0.641608349697} O4 3338 -1 7 {} N 0.0 {0.555834908594 0.435889632314 0.638770733849} N8 3339 -1 8 {} O 0.0 {0.558089761724 0.408344087766 0.651441924766} O5 3340 -1 1 {} H 0.0 {0.517046206566 0.396112033289 0.630170561641} H1 3341 -1 1 {} H 0.0 {0.538227056054 0.386680475859 0.628284271685} H2 3342 -1 1 {} H 0.0 {0.549314388843 0.417487492183 0.692507855811} H3 3343 -1 1 {} H 0.0 {0.541725143768 0.432447349929 0.688722069911} H4 3344 -1 1 {} H 0.0 {0.547335710224 0.40006406696 0.658186413093} H5 3345 -1 1 {} H 0.0 {0.535203325555 0.392258330729 0.667107037753} H6 3346 -1 1 {} H 0.0 {0.515884984863 0.422077046952 0.684238322614} H7 3347 -1 1 {} H 0.0 {0.520566186095 0.406106778004 0.688479273849} H8 3348 -1 1 {} H 0.0 {0.5001755534 0.437445734013 0.660739229233} H9 3349 -1 1 {} H 0.0 {0.50023623586 0.439126789502 0.643660316889} H10 3350 -1 1 {} H 0.0 {0.520782720181 0.426726996517 0.627381790912} H11 3351 -1 1 {} H 0.0 {0.507460416048 0.416179047688 0.62975495045} H12 3352 -1 1 {} H 0.0 {0.500702072614 0.405683032405 0.654564027309} H13 3353 -1 1 {} H 0.0 {0.504012354174 0.41423576646 0.669065821562} H14 3354 -1 1 {} H 0.0 {0.502770391034 0.37165748387 0.665238949058} H15 3355 -1 1 {} H 0.0 {0.5295519652 0.376530894442 0.679762854013} H16 3356 -1 1 {} H 0.0 {0.541969692377 0.367876103288 0.670493475497} H17 3357 -1 1 {} H 0.0 {0.526341275439 0.360089639418 0.673937443881} H18 3358 -1 1 {} H 0.0 {0.527549121231 0.355831270368 0.643926195446} H19 3359 -1 1 {} H 0.0 {0.548747198328 0.443686405806 0.637131583485} H20 3360 -1 1 {} H 0.0 {0.559990732483 0.43345718182 0.629170536366} H21 3361 -1 1 {} H 0.0 {0.560614262951 0.401413094775 0.643990551025} H22 3362 -1 14 {} Si 0.0 {0.281752637064 0.438857811614 0.668673006478} Si1 3363 -1 8 {} O 0.0 {0.29014542557 0.440257579239 0.685012562448} O1 3364 -1 14 {} Si 0.0 {0.306854893627 0.447605087559 0.682852776459} Si2 3365 -1 8 {} O 0.0 {0.319643932832 0.43361513246 0.680406874846} O2 3366 -1 14 {} Si 0.0 {0.319868566111 0.421268558631 0.695848730959} Si3 3367 -1 7 {} N 0.0 {0.336810679108 0.41453071723 0.704259366252} N1 3368 -1 14 {} Si 0.0 {0.338845104899 0.422954221255 0.260331786315} Si4 3369 -1 14 {} Si 0.0 {0.354545535702 0.41539984325 0.695644935761} Si5 3370 -1 7 {} N 0.0 {0.346207743392 0.439801849388 0.257646895904} N2 3371 -1 7 {} N 0.0 {0.350261204902 0.412788763709 0.270869978142} N3 3372 -1 7 {} N 0.0 {0.322384830935 0.424409603708 0.268677552042} N4 3373 -1 7 {} N 0.0 {0.367057046235 0.412516760523 0.708904505519} N5 3374 -1 7 {} N 0.0 {0.356866119698 0.402081453172 0.683348632752} N6 3375 -1 7 {} N 0.0 {0.358923970543 0.431766622536 0.688221724959} N7 3376 -1 8 {} O 0.0 {0.276083761562 0.421538982601 0.666195251494} O3 3377 -1 6 {} C 0.0 {0.293731777222 0.443514732512 0.654852205493} C1 3378 -1 8 {} O 0.0 {0.727333286511 0.450137188754 0.66837118158} O4 3379 -1 7 {} N 0.0 {0.310156765621 0.406312450292 0.690709431327} N8 3380 -1 8 {} O 0.0 {0.310470485873 0.429534720127 0.709334892394} O5 3381 -1 1 {} H 0.0 {0.310240907167 0.455297549136 0.694463053989} H1 3382 -1 1 {} H 0.0 {0.306760358125 0.456161364297 0.671349339589} H2 3383 -1 1 {} H 0.0 {0.353457630271 0.441287105304 0.265292665708} H3 3384 -1 1 {} H 0.0 {0.338382467749 0.446943966234 0.259386536849} H4 3385 -1 1 {} H 0.0 {0.350690740664 0.403047408021 0.266521721751} H5 3386 -1 1 {} H 0.0 {0.345476182424 0.411665291581 0.280407793314} H6 3387 -1 1 {} H 0.0 {0.317899295868 0.433339163338 0.265167287029} H7 3388 -1 1 {} H 0.0 {0.324358236752 0.425852449363 0.279151059302} H8 3389 -1 1 {} H 0.0 {0.37111607889 0.4220542208 0.251343489545} H9 3390 -1 1 {} H 0.0 {0.374995110231 0.406976608244 0.704362634902} H10 3391 -1 1 {} H 0.0 {0.36007034523 0.393459883611 0.688673180945} H11 3392 -1 1 {} H 0.0 {0.365124510088 0.40506760295 0.6771088014} H12 3393 -1 1 {} H 0.0 {0.361656376089 0.430079613033 0.678303282367} H13 3394 -1 1 {} H 0.0 {0.367927920181 0.435005769794 0.693266467401} H14 3395 -1 1 {} H 0.0 {0.284264719138 0.415550467594 0.663464765935} H15 3396 -1 1 {} H 0.0 {0.295961820576 0.434679605201 0.648859648742} H16 3397 -1 1 {} H 0.0 {0.302939797558 0.447382348489 0.659161302937} H17 3398 -1 1 {} H 0.0 {0.289208675106 0.451138710076 0.648512001198} H18 3399 -1 1 {} H 0.0 {0.729134938973 0.458336593422 0.674665655593} H19 3400 -1 1 {} H 0.0 {0.30251869 0.404860905517 0.697973951855} H20 3401 -1 1 {} H 0.0 {0.3168079501 0.397907270472 0.691520707737} H21 3402 -1 1 {} H 0.0 {0.313448214625 0.439557431941 0.249822527236} H22 3403 -1 14 {} Si 0.0 {0.423851474968 0.55334398559 0.590830259097} Si1 3404 -1 8 {} O 0.0 {0.441059430821 0.55546003832 0.584691375292} O1 3405 -1 14 {} Si 0.0 {0.449148495118 0.56892983656 0.594349454112} Si2 3406 -1 8 {} O 0.0 {0.466991511303 0.564294766291 0.598984212429} O2 3407 -1 14 {} Si 0.0 {0.476281058437 0.579484966449 0.604696036108} Si3 3408 -1 7 {} N 0.0 {0.484033527668 0.587608148852 0.590138833139} N1 3409 -1 14 {} Si 0.0 {0.49855487014 0.577103459016 0.584762553204} Si4 3410 -1 14 {} Si 0.0 {0.491450026704 0.603308372468 0.59642860792} Si5 3411 -1 7 {} N 0.0 {0.493107135781 0.559363486378 0.580204462764} N2 3412 -1 7 {} N 0.0 {0.510798328878 0.576477432404 0.598757753516} N3 3413 -1 7 {} N 0.0 {0.506296783899 0.585717758879 0.570073321112} N4 3414 -1 7 {} N 0.0 {0.478137943656 0.61567638152 0.599812864783} N5 3415 -1 7 {} N 0.0 {0.500760933682 0.599756610489 0.612137516629} N6 3416 -1 7 {} N 0.0 {0.503136817668 0.610048999247 0.58375344607} N7 3417 -1 8 {} O 0.0 {0.424178479701 0.543479779331 0.606308068937} O3 3418 -1 6 {} C 0.0 {0.413510904594 0.544399386504 0.577941367341} C1 3419 -1 8 {} O 0.0 {0.416457826313 0.569862680665 0.594226665776} O4 3420 -1 7 {} N 0.0 {0.490045161625 0.575523206821 0.616928299362} N8 3421 -1 8 {} O 0.0 {0.464483767025 0.591126783797 0.612702774457} O5 3422 -1 1 {} H 0.0 {0.44160543991 0.571136336093 0.606337202375} H1 3423 -1 1 {} H 0.0 {0.449118313676 0.580950448755 0.586458366773} H2 3424 -1 1 {} H 0.0 {0.496587672825 0.552783775496 0.587635393927} H3 3425 -1 1 {} H 0.0 {0.498303889512 0.556542012222 0.571342123577} H4 3426 -1 1 {} H 0.0 {0.511001174891 0.586190993491 0.603194121337} H5 3427 -1 1 {} H 0.0 {0.520466372392 0.574930147571 0.594362097237} H6 3428 -1 1 {} H 0.0 {0.499530993178 0.584778620014 0.56190388504} H7 3429 -1 1 {} H 0.0 {0.515198442843 0.58026946419 0.567441336001} H8 3430 -1 1 {} H 0.0 {0.480156365432 0.624155782881 0.593689692927} H9 3431 -1 1 {} H 0.0 {0.479455845401 0.618858786098 0.610016866831} H10 3432 -1 1 {} H 0.0 {0.494502516952 0.593620407391 0.618202604964} H11 3433 -1 1 {} H 0.0 {0.501795476201 0.60912504873 0.617306276169} H12 3434 -1 1 {} H 0.0 {0.508281458144 0.618205464131 0.588263451585} H13 3435 -1 1 {} H 0.0 {0.497074304723 0.614185667849 0.575892280982} H14 3436 -1 1 {} H 0.0 {0.427776831141 0.533846369217 0.604198724355} H15 3437 -1 1 {} H 0.0 {0.415920296147 0.533776633027 0.57809231007} H16 3438 -1 1 {} H 0.0 {0.415660872941 0.548478170778 0.568072029859} H17 3439 -1 1 {} H 0.0 {0.402931185832 0.54575366928 0.580206417489} H18 3440 -1 1 {} H 0.0 {0.41048471133 0.569308564279 0.602848560528} H19 3441 -1 1 {} H 0.0 {0.495737339131 0.567388519239 0.612940702347} H20 3442 -1 1 {} H 0.0 {0.485335302739 0.571953588779 0.625988005034} H21 3443 -1 1 {} H 0.0 {0.459964927523 0.586383099928 0.620918488609} H22 3444 -1 14 {} Si 0.0 {0.367693863649 0.532007667883 0.415113825221} Si1 3445 -1 8 {} O 0.0 {0.365985635609 0.550383351509 0.414208678052} O1 3446 -1 14 {} Si 0.0 {0.364201757708 0.555782831101 0.396666880299} Si2 3447 -1 8 {} O 0.0 {0.346520233701 0.554458095333 0.391535218751} O2 3448 -1 14 {} Si 0.0 {0.33718258753 0.569142802016 0.397617935921} Si3 3449 -1 7 {} N 0.0 {0.320084809636 0.563898402329 0.403043733777} N1 3450 -1 14 {} Si 0.0 {0.32139137309 0.546448278073 0.409319795343} Si4 3451 -1 14 {} Si 0.0 {0.309032687328 0.563474456915 0.387997229408} Si5 3452 -1 7 {} N 0.0 {0.305168347588 0.537718707399 0.406826357152} N2 3453 -1 7 {} N 0.0 {0.325589887562 0.546661974979 0.427426868174} N3 3454 -1 7 {} N 0.0 {0.33472140243 0.537503284492 0.399973913573} N4 3455 -1 7 {} N 0.0 {0.298672339052 0.548017601211 0.388398641639} N5 3456 -1 7 {} N 0.0 {0.297860345376 0.578338956428 0.388087909723} N6 3457 -1 7 {} N 0.0 {0.319356912325 0.563577673371 0.372545225289} N7 3458 -1 8 {} O 0.0 {0.385209445861 0.527609361365 0.418618800886} O3 3459 -1 6 {} C 0.0 {0.362495401982 0.524237035432 0.398822482815} C1 3460 -1 8 {} O 0.0 {0.356971611353 0.525573409169 0.4286069838} O4 3461 -1 7 {} N 0.0 {0.335919467925 0.581814329456 0.38404075044} N8 3462 -1 8 {} O 0.0 {0.346096238716 0.576481425117 0.411947771795} O5 3463 -1 1 {} H 0.0 {0.372263664779 0.547475919638 0.388264626041} H1 3464 -1 1 {} H 0.0 {0.36849951613 0.569373402708 0.395430167941} H2 3465 -1 1 {} H 0.0 {0.302562876853 0.533187080955 0.416111276058} H3 3466 -1 1 {} H 0.0 {0.307022229762 0.529683586567 0.399911978052} H4 3467 -1 1 {} H 0.0 {0.330312920815 0.555991541506 0.429464257615} H5 3468 -1 1 {} H 0.0 {0.333046168327 0.539056708491 0.428951740016} H6 3469 -1 1 {} H 0.0 {0.329920288013 0.530369142804 0.393681099244} H7 3470 -1 1 {} H 0.0 {0.340331886074 0.531897078127 0.407235081527} H8 3471 -1 1 {} H 0.0 {0.296973682181 0.545080547521 0.378296839126} H9 3472 -1 1 {} H 0.0 {0.289089616829 0.550826274472 0.392422498086} H10 3473 -1 1 {} H 0.0 {0.300974153073 0.584582096962 0.396135504294} H11 3474 -1 1 {} H 0.0 {0.288014354638 0.574780565475 0.390604349288} H12 3475 -1 1 {} H 0.0 {0.318104674251 0.573126192694 0.367981833377} H13 3476 -1 1 {} H 0.0 {0.314944076567 0.556389467458 0.365850444127} H14 3477 -1 1 {} H 0.0 {0.387168603812 0.517945353891 0.414981126357} H15 3478 -1 1 {} H 0.0 {0.368778197922 0.528074349103 0.39078408479} H16 3479 -1 1 {} H 0.0 {0.352091034922 0.526684687035 0.396802448686} H17 3480 -1 1 {} H 0.0 {0.363614627207 0.513408263038 0.39944685213} H18 3481 -1 1 {} H 0.0 {0.346968694636 0.525570754368 0.425408127476} H19 3482 -1 1 {} H 0.0 {0.325575566458 0.583786038998 0.382489644632} H20 3483 -1 1 {} H 0.0 {0.339530932082 0.57710385161 0.375064608263} H21 3484 -1 1 {} H 0.0 {0.356432971763 0.575131590178 0.410691138311} H22 3485 -1 14 {} Si 0.0 {0.472498495875 0.496562055071 0.415143329438} Si1 3486 -1 8 {} O 0.0 {0.479141751097 0.483026634928 0.404566693467} O1 3487 -1 14 {} Si 0.0 {0.472489747442 0.484931811614 0.387523544189} Si2 3488 -1 8 {} O 0.0 {0.478363164291 0.471092505656 0.376884270474} O2 3489 -1 14 {} Si 0.0 {0.487299710306 0.478232173918 0.36253500944} Si3 3490 -1 7 {} N 0.0 {0.49679951683 0.493043506517 0.368372248009} N1 3491 -1 14 {} Si 0.0 {0.487423315216 0.508232683036 0.363264185904} Si4 3492 -1 14 {} Si 0.0 {0.513036829048 0.493220998111 0.359449755996} Si5 3493 -1 7 {} N 0.0 {0.470672306214 0.503351773558 0.356852911056} N2 3494 -1 7 {} N 0.0 {0.49682222473 0.517170363406 0.349926335286} N3 3495 -1 7 {} N 0.0 {0.485414961001 0.519360910062 0.378023489979} N4 3496 -1 7 {} N 0.0 {0.521719244757 0.509191384065 0.363111005749} N5 3497 -1 7 {} N 0.0 {0.523415803864 0.478952483139 0.365314953423} N6 3498 -1 7 {} N 0.0 {0.510211764039 0.491745920777 0.341140861677} N7 3499 -1 8 {} O 0.0 {0.478221576966 0.494233170237 0.432473065703} O3 3500 -1 6 {} C 0.0 {0.453715556374 0.496203668821 0.414634653898} C1 3501 -1 8 {} O 0.0 {0.478470684321 0.512791527964 0.40883901337} O4 3502 -1 7 {} N 0.0 {0.475049594107 0.483348070137 0.349507563626} N8 3503 -1 8 {} O 0.0 {0.498918276608 0.465789057239 0.355529213189} O5 3504 -1 1 {} H 0.0 {0.4770336854 0.497345592577 0.382054291761} H1 3505 -1 1 {} H 0.0 {0.458210494285 0.484881014593 0.387952923514} H2 3506 -1 1 {} H 0.0 {0.468633285363 0.509459657271 0.348364384861} H3 3507 -1 1 {} H 0.0 {0.46354308996 0.506136158404 0.364414393147} H4 3508 -1 1 {} H 0.0 {0.507160391325 0.515111243147 0.351421163406} H5 3509 -1 1 {} H 0.0 {0.495511947234 0.527679796197 0.351738921153} H6 3510 -1 1 {} H 0.0 {0.47520806877 0.522367390375 0.378354738473} H7 3511 -1 1 {} H 0.0 {0.491166595227 0.528222801946 0.376019818223} H8 3512 -1 1 {} H 0.0 {0.529322068182 0.510392992812 0.355774444015} H9 3513 -1 1 {} H 0.0 {0.526704603486 0.507887391621 0.372563409096} H10 3514 -1 1 {} H 0.0 {0.521067557756 0.477361257544 0.375589617884} H11 3515 -1 1 {} H 0.0 {0.533649914862 0.482232240132 0.364985426905} H12 3516 -1 1 {} H 0.0 {0.511928159078 0.481568623919 0.338494383514} H13 3517 -1 1 {} H 0.0 {0.517957220064 0.497496270135 0.336361051122} H14 3518 -1 1 {} H 0.0 {0.46994481786 0.492347505907 0.438651355517} H15 3519 -1 1 {} H 0.0 {0.449895243681 0.492326145319 0.424075247599} H16 3520 -1 1 {} H 0.0 {0.450428662016 0.48977295323 0.406469290137} H17 3521 -1 1 {} H 0.0 {0.449927630633 0.506302315624 0.413053327841} H18 3522 -1 1 {} H 0.0 {0.470939135532 0.520009208727 0.410096560802} H19 3523 -1 1 {} H 0.0 {0.479104175266 0.491833622963 0.344502613736} H20 3524 -1 1 {} H 0.0 {0.466262547486 0.486756630237 0.354705195964} H21 3525 -1 1 {} H 0.0 {0.498804016532 0.457157326271 0.36148410351} H22 3526 -1 14 {} Si 0.0 {0.444700755374 0.410268850905 0.603521821081} Si1 3527 -1 8 {} O 0.0 {0.454477926968 0.406062709891 0.588595225055} O1 3528 -1 14 {} Si 0.0 {0.465333360955 0.420280412753 0.584520537633} Si2 3529 -1 8 {} O 0.0 {0.482513613989 0.416548119912 0.589902818004} O2 3530 -1 14 {} Si 0.0 {0.482227794838 0.413164861775 0.607838488839} Si3 3531 -1 7 {} N 0.0 {0.499624526293 0.412897071464 0.615003653131} N1 3532 -1 14 {} Si 0.0 {0.512682009607 0.417434493049 0.602051134583} Si4 3533 -1 14 {} Si 0.0 {0.503564011197 0.395749985749 0.621119765085} Si5 3534 -1 7 {} N 0.0 {0.512734860901 0.435912620438 0.599613282657} N2 3535 -1 7 {} N 0.0 {0.509406299863 0.408544020293 0.585492670032} N3 3536 -1 7 {} N 0.0 {0.52911501646 0.412208943158 0.608405830578} N4 3537 -1 7 {} N 0.0 {0.520965116627 0.39195231164 0.616501402592} N5 3538 -1 7 {} N 0.0 {0.501903578423 0.395410659156 0.639703984095} N6 3539 -1 7 {} N 0.0 {0.492375085723 0.383083201688 0.613509859585} N7 3540 -1 8 {} O 0.0 {0.432077071499 0.397206626537 0.606536501979} O3 3541 -1 6 {} C 0.0 {0.436221412208 0.426781760376 0.600878877464} C1 3542 -1 8 {} O 0.0 {0.455952505314 0.411551253372 0.618004156685} O4 3543 -1 7 {} N 0.0 {0.473550657224 0.397051072824 0.610790334875} N8 3544 -1 8 {} O 0.0 {0.472667676857 0.426491799053 0.616183584253} O5 3545 -1 1 {} H 0.0 {0.460651609553 0.431908461663 0.591404856082} H1 3546 -1 1 {} H 0.0 {0.46502763182 0.422626224455 0.570478794299} H2 3547 -1 1 {} H 0.0 {0.505290636789 0.438206186181 0.592356960698} H3 3548 -1 1 {} H 0.0 {0.522242329315 0.43842912006 0.595194699193} H4 3549 -1 1 {} H 0.0 {0.509394004171 0.397996884067 0.587284556195} H5 3550 -1 1 {} H 0.0 {0.517831483453 0.410570791335 0.579152221619} H6 3551 -1 1 {} H 0.0 {0.529958680855 0.416158360822 0.618158697331} H7 3552 -1 1 {} H 0.0 {0.536464437342 0.4171925212 0.602387739177} H8 3553 -1 1 {} H 0.0 {0.524065774816 0.383600919323 0.622350952983} H9 3554 -1 1 {} H 0.0 {0.52675672939 0.400399400629 0.619811754991} H10 3555 -1 1 {} H 0.0 {0.511533804262 0.393219130713 0.643742861818} H11 3556 -1 1 {} H 0.0 {0.495620319405 0.387065680115 0.642108847628} H12 3557 -1 1 {} H 0.0 {0.49408549138 0.373883316394 0.618611607752} H13 3558 -1 1 {} H 0.0 {0.495772960468 0.38164094532 0.603431936518} H14 3559 -1 1 {} H 0.0 {0.42260117545 0.401647568311 0.607429672675} H15 3560 -1 1 {} H 0.0 {0.427977687198 0.425560561227 0.593869203042} H16 3561 -1 1 {} H 0.0 {0.44340085136 0.433925246582 0.596843197769} H17 3562 -1 1 {} H 0.0 {0.432401200578 0.430459427622 0.610394398785} H18 3563 -1 1 {} H 0.0 {0.451634323401 0.417813855266 0.62522516563} H19 3564 -1 1 {} H 0.0 {0.471780150042 0.396314504433 0.621213461802} H20 3565 -1 1 {} H 0.0 {0.480429228548 0.389314468746 0.608267477546} H21 3566 -1 1 {} H 0.0 {0.463577815899 0.427943499472 0.611129666735} H22 3567 -1 14 {} Si 0.0 {0.325180974942 0.659155336589 0.513738468406} Si1 3568 -1 8 {} O 0.0 {0.319710689689 0.663663113822 0.530628602943} O1 3569 -1 14 {} Si 0.0 {0.301481909451 0.665076020726 0.530986891958} Si2 3570 -1 8 {} O 0.0 {0.296777243891 0.682927472744 0.531749277371} O2 3571 -1 14 {} Si 0.0 {0.310041170396 0.692992334813 0.540165547234} Si3 3572 -1 7 {} N 0.0 {0.302213008118 0.708584140228 0.546424217716} N1 3573 -1 14 {} Si 0.0 {0.293527880661 0.703780619268 0.562131661414} Si4 3574 -1 14 {} Si 0.0 {0.288864657617 0.713358881788 0.534226867086} Si5 3575 -1 7 {} N 0.0 {0.275349435322 0.702026308396 0.558757689912} N2 3576 -1 7 {} N 0.0 {0.296243244011 0.716713392499 0.575171406704} N3 3577 -1 7 {} N 0.0 {0.300234962601 0.687520611658 0.568074192851} N4 3578 -1 7 {} N 0.0 {0.295012802266 0.710663382433 0.516813129315} N5 3579 -1 7 {} N 0.0 {0.273905218118 0.702768615016 0.537244134812} N6 3580 -1 7 {} N 0.0 {0.284493848794 0.271235818782 0.536642209047} N7 3581 -1 8 {} O 0.0 {0.319756550019 0.642000227144 0.509888798708} O3 3582 -1 6 {} C 0.0 {0.343844517314 0.660107138978 0.512962278859} C1 3583 -1 8 {} O 0.0 {0.317898215552 0.670842840423 0.501581208026} O4 3584 -1 7 {} N 0.0 {0.323850145277 0.697069402712 0.528024297114} N8 3585 -1 8 {} O 0.0 {0.317087353852 0.683713910985 0.554501230162} O5 3586 -1 1 {} H 0.0 {0.296390810015 0.658267655213 0.542476110257} H1 3587 -1 1 {} H 0.0 {0.296010849744 0.65914883435 0.519159165012} H2 3588 -1 1 {} H 0.0 {0.730344611031 0.707951872349 0.56594824477} H3 3589 -1 1 {} H 0.0 {0.272807509695 0.691776832218 0.560843544722} H4 3590 -1 1 {} H 0.0 {0.300651359632 0.711829297356 0.583568215421} H5 3591 -1 1 {} H 0.0 {0.286492621191 0.719985296882 0.578322075403} H6 3592 -1 1 {} H 0.0 {0.292122127953 0.680621075434 0.568160419773} H7 3593 -1 1 {} H 0.0 {0.303162114828 0.688951089577 0.578328640687} H8 3594 -1 1 {} H 0.0 {0.289216251979 0.716783608984 0.510375559982} H9 3595 -1 1 {} H 0.0 {0.292680324499 0.700474422543 0.514252127551} H10 3596 -1 1 {} H 0.0 {0.27667924597 0.692707688232 0.535045956637} H11 3597 -1 1 {} H 0.0 {0.726710347572 0.705600745703 0.529918944271} H12 3598 -1 1 {} H 0.0 {0.277188529344 0.271727326815 0.544353576286} H13 3599 -1 1 {} H 0.0 {0.279680031843 0.274541626618 0.527666163362} H14 3600 -1 1 {} H 0.0 {0.327119873235 0.635214843314 0.513085134971} H15 3601 -1 1 {} H 0.0 {0.347241156232 0.656685330785 0.503222818536} H16 3602 -1 1 {} H 0.0 {0.348081020105 0.653773814769 0.520734978995} H17 3603 -1 1 {} H 0.0 {0.347028338817 0.670414148503 0.514525988056} H18 3604 -1 1 {} H 0.0 {0.32139811771 0.668503848503 0.491980649968} H19 3605 -1 1 {} H 0.0 {0.324629403749 0.707664909289 0.5274990014} H20 3606 -1 1 {} H 0.0 {0.320642204026 0.693766837243 0.518231772237} H21 3607 -1 1 {} H 0.0 {0.317310055318 0.689971409904 0.562936501631} H22 3608 -1 14 {} Si 0.0 {0.429649714385 0.597091603777 0.666837988769} Si1 3609 -1 8 {} O 0.0 {0.434343853355 0.579232884237 0.665938949631} O1 3610 -1 14 {} Si 0.0 {0.42144182119 0.569164943314 0.674305990056} Si2 3611 -1 8 {} O 0.0 {0.42932152857 0.556632171498 0.685408725472} O2 3612 -1 14 {} Si 0.0 {0.43614406942 0.542274492877 0.675834063242} Si3 3613 -1 7 {} N 0.0 {0.422654670993 0.533793921814 0.666121079728} N1 3614 -1 14 {} Si 0.0 {0.41114541832 0.546796288958 0.659540252912} Si4 3615 -1 14 {} Si 0.0 {0.412945329644 0.523596600553 0.678215651558} Si5 3616 -1 7 {} N 0.0 {0.420820311025 0.55945718572 0.649912517157} N2 3617 -1 7 {} N 0.0 {0.402458014909 0.555009389541 0.673758689654} N3 3618 -1 7 {} N 0.0 {0.398493071888 0.538884265832 0.648427906221} N4 3619 -1 7 {} N 0.0 {0.397953252583 0.516610123932 0.669779563405} N5 3620 -1 7 {} N 0.0 {0.423503444043 0.509711616371 0.684613488695} N6 3621 -1 7 {} N 0.0 {0.407652660817 0.53435746131 0.692409018795} N7 3622 -1 8 {} O 0.0 {0.412646709122 0.599375580564 0.660197895627} O3 3623 -1 6 {} C 0.0 {0.441717445728 0.607363900961 0.656711649369} C1 3624 -1 8 {} O 0.0 {0.430157766908 0.60260105063 0.684375226139} O4 3625 -1 7 {} N 0.0 {0.443328306427 0.530031459765 0.687840810889} N8 3626 -1 8 {} O 0.0 {0.449406295929 0.548006089884 0.664430132515} O5 3627 -1 1 {} H 0.0 {0.413439304536 0.562627129256 0.664526828428} H1 3628 -1 1 {} H 0.0 {0.413177857192 0.577804711357 0.682152775539} H2 3629 -1 1 {} H 0.0 {0.415645843596 0.561076365837 0.640735515064} H3 3630 -1 1 {} H 0.0 {0.430218767606 0.554882501089 0.647360505475} H4 3631 -1 1 {} H 0.0 {0.407544750336 0.552099291516 0.682656395738} H5 3632 -1 1 {} H 0.0 {0.392634749459 0.550647557843 0.674284031754} H6 3633 -1 1 {} H 0.0 {0.402758279837 0.529919067783 0.644630224427} H7 3634 -1 1 {} H 0.0 {0.397214443325 0.545474346647 0.640025702326} H8 3635 -1 1 {} H 0.0 {0.392486360848 0.524819960552 0.665760582268} H9 3636 -1 1 {} H 0.0 {0.39180735622 0.512313131822 0.67748642152} H10 3637 -1 1 {} H 0.0 {0.421575996728 0.501196767068 0.678504227039} H11 3638 -1 1 {} H 0.0 {0.419810142903 0.507330306477 0.694439246743} H12 3639 -1 1 {} H 0.0 {0.405604386834 0.527936087795 0.700650810953} H13 3640 -1 1 {} H 0.0 {0.398278616398 0.538800910573 0.68957814718} H14 3641 -1 1 {} H 0.0 {0.407292251815 0.605859478478 0.666494198105} H15 3642 -1 1 {} H 0.0 {0.436774215194 0.610978925811 0.647678533808} H16 3643 -1 1 {} H 0.0 {0.450265276621 0.601213026262 0.653979779011} H17 3644 -1 1 {} H 0.0 {0.445065759338 0.615814740958 0.66257084827} H18 3645 -1 1 {} H 0.0 {0.430229101716 0.613078478957 0.684738755588} H19 3646 -1 1 {} H 0.0 {0.446499330298 0.521562337544 0.68220688151} H20 3647 -1 1 {} H 0.0 {0.435191052885 0.526695846119 0.694060105155} H21 3648 -1 1 {} H 0.0 {0.45831456108 0.542792764624 0.666550199014} H22 3649 -1 14 {} Si 0.0 {0.324372021314 0.302008252449 0.611158020863} Si1 3650 -1 8 {} O 0.0 {0.314339139243 0.313053752965 0.621919388674} O1 3651 -1 14 {} Si 0.0 {0.300043244641 0.303735687559 0.628701976018} Si2 3652 -1 8 {} O 0.0 {0.284428858273 0.311332136627 0.622710821558} O2 3653 -1 14 {} Si 0.0 {0.27363831187 0.298104556805 0.616043777574} Si3 3654 -1 7 {} N 0.0 {0.284344807687 0.284940273418 0.60819477438} N1 3655 -1 14 {} Si 0.0 {0.274995823773 0.277909929349 0.593654883016} Si4 3656 -1 14 {} Si 0.0 {0.286845961493 0.271272703473 0.620788228514} Si5 3657 -1 7 {} N 0.0 {0.272087438905 0.719839540322 0.596175194116} N2 3658 -1 7 {} N 0.0 {0.284967621856 0.280444164394 0.578181482076} N3 3659 -1 7 {} N 0.0 {0.718795649896 0.286666913272 0.591955393603} N4 3660 -1 7 {} N 0.0 {0.278910272881 0.276194956324 0.636940416221} N5 3661 -1 7 {} N 0.0 {0.279309016963 0.715501154311 0.614535352309} N6 3662 -1 7 {} N 0.0 {0.305017454006 0.268703528667 0.623454613849} N7 3663 -1 8 {} O 0.0 {0.322251864776 0.28451410859 0.616514237548} O3 3664 -1 6 {} C 0.0 {0.342459251395 0.306873150564 0.612534649465} C1 3665 -1 8 {} O 0.0 {0.318858431531 0.303767510996 0.593690354362} O4 3666 -1 7 {} N 0.0 {0.722307931263 0.305253360471 0.603263412432} N8 3667 -1 8 {} O 0.0 {0.723873923096 0.290877682084 0.629799800459} O5 3668 -1 1 {} H 0.0 {0.300388282447 0.304171956988 0.642987470797} H1 3669 -1 1 {} H 0.0 {0.300697192594 0.290130056143 0.624327791465} H2 3670 -1 1 {} H 0.0 {0.281584910674 0.715336415506 0.597882576179} H3 3671 -1 1 {} H 0.0 {0.728650984665 0.715964968915 0.58679424296} H4 3672 -1 1 {} H 0.0 {0.291644071867 0.288541000984 0.580023034375} H5 3673 -1 1 {} H 0.0 {0.278106047004 0.28379495598 0.570605090198} H6 3674 -1 1 {} H 0.0 {0.711920731394 0.281855592587 0.598513493526} H7 3675 -1 1 {} H 0.0 {0.715312593857 0.284789735679 0.581943966243} H8 3676 -1 1 {} H 0.0 {0.28441689423 0.271480383157 0.644748457848} H9 3677 -1 1 {} H 0.0 {0.729225201348 0.271829649959 0.637052524742} H10 3678 -1 1 {} H 0.0 {0.728891277099 0.716700043872 0.614588994624} H11 3679 -1 1 {} H 0.0 {0.281566229408 0.707927555972 0.621817540817} H12 3680 -1 1 {} H 0.0 {0.307475031102 0.719294679796 0.619381047872} H13 3681 -1 1 {} H 0.0 {0.306481578428 0.26797158033 0.634076990244} H14 3682 -1 1 {} H 0.0 {0.326807496853 0.283142158544 0.625869665394} H15 3683 -1 1 {} H 0.0 {0.34831908383 0.298243224333 0.61567370173} H16 3684 -1 1 {} H 0.0 {0.343506317702 0.314851736017 0.619891362324} H17 3685 -1 1 {} H 0.0 {0.346024954015 0.310371004249 0.602850947012} H18 3686 -1 1 {} H 0.0 {0.314618717199 0.313266533229 0.59230656744} H19 3687 -1 1 {} H 0.0 {0.72757798656 0.305389301243 0.594021122977} H20 3688 -1 1 {} H 0.0 {0.720671674916 0.315505364224 0.605982635766} H21 3689 -1 1 {} H 0.0 {0.721056711126 0.298523738133 0.636455142709} H22 3690 -1 14 {} Si 0.0 {0.30679783193 0.535260953882 0.497776989882} Si1 3691 -1 8 {} O 0.0 {0.307937407058 0.53106812218 0.479909801736} O1 3692 -1 14 {} Si 0.0 {0.324924391752 0.525083005303 0.476378887572} Si2 3693 -1 8 {} O 0.0 {0.336801842354 0.534588797686 0.486708391057} O2 3694 -1 14 {} Si 0.0 {0.351703382446 0.524406102747 0.490149395273} Si3 3695 -1 7 {} N 0.0 {0.358716305907 0.517999140835 0.474189703591} N1 3696 -1 14 {} Si 0.0 {0.36666758081 0.501717988275 0.478066616965} Si4 3697 -1 14 {} Si 0.0 {0.372389099362 0.529563494878 0.469058308901} Si5 3698 -1 7 {} N 0.0 {0.3753191487 0.495297363301 0.462903209665} N2 3699 -1 7 {} N 0.0 {0.353671892947 0.489523113456 0.483509755587} N3 3700 -1 7 {} N 0.0 {0.379032784523 0.504121324843 0.491719715984} N4 3701 -1 7 {} N 0.0 {0.380913285697 0.522763435895 0.453997749414} N5 3702 -1 7 {} N 0.0 {0.365330503845 0.546303903025 0.465138381356} N6 3703 -1 7 {} N 0.0 {0.384690405612 0.53112078425 0.48290521738} N7 3704 -1 8 {} O 0.0 {0.301940372829 0.520269617485 0.507244059684} O3 3705 -1 6 {} C 0.0 {0.293955283244 0.548729661208 0.500335744459} C1 3706 -1 8 {} O 0.0 {0.32318325401 0.541206323481 0.503710819645} O4 3707 -1 7 {} N 0.0 {0.347145067591 0.510060718527 0.501118374995} N8 3708 -1 8 {} O 0.0 {0.364273080652 0.534791997358 0.498617111253} O5 3709 -1 1 {} H 0.0 {0.327946707937 0.527057719357 0.46254256787} H1 3710 -1 1 {} H 0.0 {0.32583882321 0.511165792174 0.479553481084} H2 3711 -1 1 {} H 0.0 {0.368272207499 0.489420621732 0.457481260136} H3 3712 -1 1 {} H 0.0 {0.382949890025 0.488538348837 0.466339127987} H4 3713 -1 1 {} H 0.0 {0.344739888741 0.495019010632 0.485374539867} H5 3714 -1 1 {} H 0.0 {0.356899606649 0.485600398869 0.493003826278} H6 3715 -1 1 {} H 0.0 {0.38863426238 0.504893819536 0.48717944264} H7 3716 -1 1 {} H 0.0 {0.379080074935 0.495044502268 0.497475470837} H8 3717 -1 1 {} H 0.0 {0.389616130927 0.517607100394 0.457355801379} H9 3718 -1 1 {} H 0.0 {0.384368619033 0.531226778481 0.448322247996} H10 3719 -1 1 {} H 0.0 {0.358298268727 0.545000917429 0.457246234151} H11 3720 -1 1 {} H 0.0 {0.373401198167 0.552173276288 0.461107836989} H12 3721 -1 1 {} H 0.0 {0.388904431661 0.540887372704 0.482300798749} H13 3722 -1 1 {} H 0.0 {0.392653228033 0.524211574678 0.480742465608} H14 3723 -1 1 {} H 0.0 {0.291663185555 0.518549710893 0.506002160803} H15 3724 -1 1 {} H 0.0 {0.28406138001 0.544221092955 0.501059868764} H16 3725 -1 1 {} H 0.0 {0.294196393071 0.555637664642 0.491910425137} H17 3726 -1 1 {} H 0.0 {0.296162702193 0.554143526525 0.509538330424} H18 3727 -1 1 {} H 0.0 {0.323730018666 0.551635990311 0.502598324917} H19 3728 -1 1 {} H 0.0 {0.353744308466 0.502032811701 0.498729134427} H20 3729 -1 1 {} H 0.0 {0.337293516646 0.506904533058 0.498166526067} H21 3730 -1 1 {} H 0.0 {0.359860972476 0.543848191987 0.501586677519} H22 3731 -1 14 {} Si 0.0 {0.443150470444 0.572596249091 0.311574531212} Si1 3732 -1 8 {} O 0.0 {0.446177791027 0.586560167282 0.2999664738} O1 3733 -1 14 {} Si 0.0 {0.43060760007 0.590602433113 0.290991072682} Si2 3734 -1 8 {} O 0.0 {0.433980119173 0.591695896877 0.272869355461} O2 3735 -1 14 {} Si 0.0 {0.451157756246 0.586011244659 0.269475926115} Si3 3736 -1 7 {} N 0.0 {0.451946041113 0.577549731183 0.252948686344} N1 3737 -1 14 {} Si 0.0 {0.469270942889 0.571016270893 0.25113738477} Si4 3738 -1 14 {} Si 0.0 {0.4494515323 0.590446831064 0.699851801583} Si5 3739 -1 7 {} N 0.0 {0.473225230586 0.560081443642 0.265634769167} N2 3740 -1 7 {} N 0.0 {0.481285996271 0.585208782318 0.250679742212} N3 3741 -1 7 {} N 0.0 {0.470647507594 0.561203038139 0.695553583534} N4 3742 -1 7 {} N 0.0 {0.440547238993 0.605139029595 0.706936388952} N5 3743 -1 7 {} N 0.0 {0.465953199245 0.595783098174 0.693147500493} N6 3744 -1 7 {} N 0.0 {0.439328162456 0.583207750707 0.686099835925} N7 3745 -1 8 {} O 0.0 {0.447197624209 0.577876774866 0.328740267169} O3 3746 -1 6 {} C 0.0 {0.453990955766 0.558006439271 0.306765359724} C1 3747 -1 8 {} O 0.0 {0.425471465194 0.567623760477 0.310713327676} O4 3748 -1 7 {} N 0.0 {0.456339238575 0.573961770845 0.282608370547} N8 3749 -1 8 {} O 0.0 {0.462569300411 0.600428491478 0.269530039913} O5 3750 -1 1 {} H 0.0 {0.425549529718 0.603140456105 0.29566529462} H1 3751 -1 1 {} H 0.0 {0.420927855753 0.580366978269 0.29342727879} H2 3752 -1 1 {} H 0.0 {0.48243111827 0.563506453767 0.269755758476} H3 3753 -1 1 {} H 0.0 {0.47510436616 0.550265282559 0.261671266307} H4 3754 -1 1 {} H 0.0 {0.47592901715 0.593978896692 0.253450140185} H5 3755 -1 1 {} H 0.0 {0.48416203729 0.586492818569 0.700522355291} H6 3756 -1 1 {} H 0.0 {0.47024786593 0.55090025792 0.698225165391} H7 3757 -1 1 {} H 0.0 {0.48051855712 0.562980728112 0.6916667334} H8 3758 -1 1 {} H 0.0 {0.443463937909 0.613653925828 0.701220242564} H9 3759 -1 1 {} H 0.0 {0.44443541576 0.606619917611 0.256707985411} H10 3760 -1 1 {} H 0.0 {0.470719827919 0.601554220448 0.7007030259} H11 3761 -1 1 {} H 0.0 {0.463938747596 0.602496562667 0.684982052796} H12 3762 -1 1 {} H 0.0 {0.4416338328 0.588694014764 0.677289856442} H13 3763 -1 1 {} H 0.0 {0.42902675764 0.585281641958 0.68841312608} H14 3764 -1 1 {} H 0.0 {0.440089487131 0.57390438486 0.335379823183} H15 3765 -1 1 {} H 0.0 {0.463962613623 0.559346719307 0.310955501162} H16 3766 -1 1 {} H 0.0 {0.454666243186 0.557410308491 0.295905302642} H17 3767 -1 1 {} H 0.0 {0.449626524621 0.548801924843 0.310641617546} H18 3768 -1 1 {} H 0.0 {0.424797179127 0.557704897016 0.307354168485} H19 3769 -1 1 {} H 0.0 {0.460267694919 0.565390306638 0.27762509139} H20 3770 -1 1 {} H 0.0 {0.447345991911 0.570757487498 0.287553162359} H21 3771 -1 1 {} H 0.0 {0.472492811661 0.597018373315 0.26906159349} H22 3772 -1 14 {} Si 0.0 {0.312995924834 0.660846593605 0.588269670665} Si1 3773 -1 8 {} O 0.0 {0.302605052314 0.671144501617 0.577210998859} O1 3774 -1 14 {} Si 0.0 {0.284909464183 0.668261786283 0.581228450961} Si2 3775 -1 8 {} O 0.0 {0.283670354472 0.656075234104 0.59491364989} O2 3776 -1 14 {} Si 0.0 {0.730228593404 0.64433140084 0.591165821763} Si3 3777 -1 7 {} N 0.0 {0.276600502847 0.630310001429 0.580929745565} N1 3778 -1 14 {} Si 0.0 {0.276572012388 0.636008916622 0.563147627722} Si4 3779 -1 14 {} Si 0.0 {0.724288019335 0.616680479879 0.582621895257} Si5 3780 -1 7 {} N 0.0 {0.288975627442 0.649712751022 0.561051067442} N2 3781 -1 7 {} N 0.0 {0.719791461368 0.642273999128 0.558679703139} N3 3782 -1 7 {} N 0.0 {0.281088939589 0.621868430246 0.551935249004} N4 3783 -1 7 {} N 0.0 {0.271188268519 0.600810614724 0.575993914698} N5 3784 -1 7 {} N 0.0 {0.720111446524 0.614611972655 0.60064178038} N6 3785 -1 7 {} N 0.0 {0.708887291767 0.621150978173 0.57319286842} N7 3786 -1 8 {} O 0.0 {0.329035704952 0.657210199798 0.580037028443} O3 3787 -1 6 {} C 0.0 {0.304040355103 0.644766402903 0.591979197461} C1 3788 -1 8 {} O 0.0 {0.316035677157 0.669917347778 0.603950031312} O4 3789 -1 7 {} N 0.0 {0.716903038401 0.65311797709 0.581683336341} N8 3790 -1 8 {} O 0.0 {0.723208778458 0.63769703015 0.606843961728} O5 3791 -1 1 {} H 0.0 {0.278177424168 0.663149617404 0.569698234854} H1 3792 -1 1 {} H 0.0 {0.278833173707 0.680561120209 0.585238205306} H2 3793 -1 1 {} H 0.0 {0.28477193089 0.656765029424 0.554259267532} H3 3794 -1 1 {} H 0.0 {0.297520891938 0.645417412357 0.556109093917} H4 3795 -1 1 {} H 0.0 {0.712737563592 0.6364887308 0.564162822101} H5 3796 -1 1 {} H 0.0 {0.718274883307 0.63991411612 0.548294143347} H6 3797 -1 1 {} H 0.0 {0.29113218637 0.623471215393 0.548722292268} H7 3798 -1 1 {} H 0.0 {0.27489843761 0.62279106059 0.543170051012} H8 3799 -1 1 {} H 0.0 {0.72344046668 0.595771155158 0.570894607135} H9 3800 -1 1 {} H 0.0 {0.273680417134 0.594744607478 0.584529659923} H10 3801 -1 1 {} H 0.0 {0.724852214855 0.60569017221 0.603995431362} H11 3802 -1 1 {} H 0.0 {0.709513068505 0.612861564121 0.601191763926} H12 3803 -1 1 {} H 0.0 {0.700768634144 0.620886858692 0.580095495451} H13 3804 -1 1 {} H 0.0 {0.707166909822 0.613220446489 0.566139047269} H14 3805 -1 1 {} H 0.0 {0.33209777994 0.647479513449 0.582520347101} H15 3806 -1 1 {} H 0.0 {0.309953099596 0.636384483653 0.588316339084} H16 3807 -1 1 {} H 0.0 {0.294330527431 0.644796832629 0.587028171065} H17 3808 -1 1 {} H 0.0 {0.302626918124 0.643794550907 0.602742610966} H18 3809 -1 1 {} H 0.0 {0.306883211552 0.671712251185 0.608773228575} H19 3810 -1 1 {} H 0.0 {0.709808475445 0.645758259708 0.57867075931} H20 3811 -1 1 {} H 0.0 {0.721473726718 0.656825407428 0.572679794101} H21 3812 -1 1 {} H 0.0 {0.730504576735 0.638049013751 0.614371190077} H22 3813 -1 14 {} Si 0.0 {0.420924332877 0.474908960709 0.60241508028} Si1 3814 -1 8 {} O 0.0 {0.419666882651 0.493182392053 0.605181006952} O1 3815 -1 14 {} Si 0.0 {0.403358058754 0.497477019693 0.612818865538} Si2 3816 -1 8 {} O 0.0 {0.403550039441 0.492649642902 0.630709645566} O2 3817 -1 14 {} Si 0.0 {0.403894352997 0.507620926642 0.641369701587} Si3 3818 -1 7 {} N 0.0 {0.388004756212 0.517098715456 0.639179970037} N1 3819 -1 14 {} Si 0.0 {0.374931400136 0.504835522535 0.633798896155} Si4 3820 -1 14 {} Si 0.0 {0.390679988135 0.529061189745 0.625126038734} Si5 3821 -1 7 {} N 0.0 {0.358042295264 0.512351953902 0.635610132536} N2 3822 -1 7 {} N 0.0 {0.3760235477 0.489475163928 0.644241632179} N3 3823 -1 7 {} N 0.0 {0.377703010211 0.500341960984 0.616114307082} N4 3824 -1 7 {} N 0.0 {0.379903523946 0.544000969108 0.627515094854} N5 3825 -1 7 {} N 0.0 {0.408513822036 0.534305423516 0.624776484439} N6 3826 -1 7 {} N 0.0 {0.386375454645 0.520890620248 0.609030434313} N7 3827 -1 8 {} O 0.0 {0.420031603612 0.471453326175 0.584390722308} O3 3828 -1 6 {} C 0.0 {0.40674435265 0.466002029506 0.611172762056} C1 3829 -1 8 {} O 0.0 {0.437027029919 0.468782938276 0.608955485284} O4 3830 -1 7 {} N 0.0 {0.418454478479 0.51822680795 0.636540290583} N8 3831 -1 8 {} O 0.0 {0.405607192948 0.502551528796 0.65898449892} O5 3832 -1 1 {} H 0.0 {0.392878121358 0.490422141344 0.606101352347} H1 3833 -1 1 {} H 0.0 {0.401159323341 0.511564552984 0.611709591775} H2 3834 -1 1 {} H 0.0 {0.35232609783 0.505796567556 0.641773054705} H3 3835 -1 1 {} H 0.0 {0.353503034341 0.51209404099 0.625846105269} H4 3836 -1 1 {} H 0.0 {0.386196022211 0.488364138856 0.647183249784} H5 3837 -1 1 {} H 0.0 {0.373786618983 0.481167469142 0.637750788506} H6 3838 -1 1 {} H 0.0 {0.38785387103 0.502361321687 0.614046073876} H7 3839 -1 1 {} H 0.0 {0.376486839518 0.489674148155 0.615404904805} H8 3840 -1 1 {} H 0.0 {0.372728000935 0.544000451479 0.619635967852} H9 3841 -1 1 {} H 0.0 {0.386175408825 0.552601497598 0.625938869856} H10 3842 -1 1 {} H 0.0 {0.408683341573 0.544953630151 0.625024368738} H11 3843 -1 1 {} H 0.0 {0.412392218426 0.531403709969 0.615168030098} H12 3844 -1 1 {} H 0.0 {0.3939135226 0.52362543354 0.60199466769} H13 3845 -1 1 {} H 0.0 {0.377230752195 0.525419676229 0.60562790782} H14 3846 -1 1 {} H 0.0 {0.421929510876 0.461271992354 0.582706567994} H15 3847 -1 1 {} H 0.0 {0.403037326525 0.458020382353 0.604812183966} H16 3848 -1 1 {} H 0.0 {0.398695575348 0.473035600756 0.613204183976} H17 3849 -1 1 {} H 0.0 {0.410296964176 0.461777849363 0.620540802825} H18 3850 -1 1 {} H 0.0 {0.437594688618 0.458375497835 0.607654634223} H19 3851 -1 1 {} H 0.0 {0.416440080657 0.528129683998 0.639812643331} H20 3852 -1 1 {} H 0.0 {0.418645464809 0.518525234428 0.625788395245} H21 3853 -1 1 {} H 0.0 {0.404486881283 0.492139693508 0.659750555107} H22 3854 -1 14 {} Si 0.0 {0.351779777073 0.421042776343 0.431205665616} Si1 3855 -1 8 {} O 0.0 {0.357120752158 0.403643225737 0.430753354808} O1 3856 -1 14 {} Si 0.0 {0.351590636376 0.395808897301 0.446325284257} Si2 3857 -1 8 {} O 0.0 {0.33372407674 0.391475221789 0.445010271924} O2 3858 -1 14 {} Si 0.0 {0.323172897554 0.406520097638 0.447330991561} Si3 3859 -1 7 {} N 0.0 {0.316856052184 0.407120304769 0.464844490603} N1 3860 -1 14 {} Si 0.0 {0.329190678336 0.398686068068 0.475636604249} Si4 3861 -1 14 {} Si 0.0 {0.301679691958 0.396721728279 0.465498404172} Si5 3862 -1 7 {} N 0.0 {0.335625024513 0.410683110038 0.488271128745} N2 3863 -1 7 {} N 0.0 {0.343154105283 0.392302167319 0.465246290782} N3 3864 -1 7 {} N 0.0 {0.320828195771 0.384485303776 0.484238231545} N4 3865 -1 7 {} N 0.0 {0.289784074266 0.402797612087 0.452247878125} N5 3866 -1 7 {} N 0.0 {0.306412171074 0.378970856517 0.462312752651} N6 3867 -1 7 {} N 0.0 {0.294262527095 0.398043206408 0.48269846488} N7 3868 -1 8 {} O 0.0 {0.348563262111 0.42577648819 0.448782541655} O3 3869 -1 6 {} C 0.0 {0.335946812733 0.423032148393 0.421264700686} C1 3870 -1 8 {} O 0.0 {0.36493201196 0.431870484285 0.424137243785} O4 3871 -1 7 {} N 0.0 {0.308756756895 0.405693574634 0.435651977066} N8 3872 -1 8 {} O 0.0 {0.33280815303 0.421755223424 0.443796587806} O5 3873 -1 1 {} H 0.0 {0.35347507494 0.404945676665 0.457070886545} H1 3874 -1 1 {} H 0.0 {0.359249463148 0.384002239878 0.44873013672} H2 3875 -1 1 {} H 0.0 {0.337791902418 0.419783899304 0.483182031525} H3 3876 -1 1 {} H 0.0 {0.345017528805 0.406782801757 0.49170451401} H4 3877 -1 1 {} H 0.0 {0.340032066636 0.382947760978 0.461199823437} H5 3878 -1 1 {} H 0.0 {0.351261224253 0.390178627551 0.471962666409} H6 3879 -1 1 {} H 0.0 {0.316900086685 0.388213775008 0.493412723358} H7 3880 -1 1 {} H 0.0 {0.328531498889 0.377467784817 0.486822704886} H8 3881 -1 1 {} H 0.0 {0.280216437383 0.398808942246 0.454192624614} H9 3882 -1 1 {} H 0.0 {0.29301861494 0.398462997568 0.442936682956} H10 3883 -1 1 {} H 0.0 {0.303099487216 0.376434402549 0.45252190358} H11 3884 -1 1 {} H 0.0 {0.300670879611 0.372977115303 0.469165172657} H12 3885 -1 1 {} H 0.0 {0.294668573285 0.388372094988 0.48704802017} H13 3886 -1 1 {} H 0.0 {0.28388702084 0.400503838076 0.481554245764} H14 3887 -1 1 {} H 0.0 {0.342688835303 0.43447168276 0.449080951263} H15 3888 -1 1 {} H 0.0 {0.330165108184 0.431355808929 0.425268827903} H16 3889 -1 1 {} H 0.0 {0.330080226516 0.413885075611 0.421926269595} H17 3890 -1 1 {} H 0.0 {0.338393804141 0.425009003555 0.41087808476} H18 3891 -1 1 {} H 0.0 {0.373780229272 0.426359893674 0.42298535405} H19 3892 -1 1 {} H 0.0 {0.300690775008 0.410964385385 0.440210540539} H20 3893 -1 1 {} H 0.0 {0.3058002051 0.395357769406 0.435140151673} H21 3894 -1 1 {} H 0.0 {0.326336034569 0.43008680981 0.443971883151} H22 3895 -1 14 {} Si 0.0 {0.383787061871 0.316017251206 0.48460702621} Si1 3896 -1 8 {} O 0.0 {0.39549845768 0.325540889234 0.495113493417} O1 3897 -1 14 {} Si 0.0 {0.411115621182 0.328478201572 0.485818932529} Si2 3898 -1 8 {} O 0.0 {0.424332692462 0.333482950156 0.497598490023} O2 3899 -1 14 {} Si 0.0 {0.416849253918 0.336127630516 0.514180977221} Si3 3900 -1 7 {} N 0.0 {0.428923735736 0.330849546582 0.527426441836} N1 3901 -1 14 {} Si 0.0 {0.421085319893 0.31726071882 0.537706921966} Si4 3902 -1 14 {} Si 0.0 {0.431702341017 0.345664355762 0.538518323862} Si5 3903 -1 7 {} N 0.0 {0.407436759488 0.308980610486 0.528117448108} N2 3904 -1 7 {} N 0.0 {0.414131094395 0.324416929701 0.553365849278} N3 3905 -1 7 {} N 0.0 {0.434031479906 0.304597419106 0.541990772714} N4 3906 -1 7 {} N 0.0 {0.449924948184 0.347848205602 0.541529769865} N5 3907 -1 7 {} N 0.0 {0.424983667848 0.360903010334 0.530247824757} N6 3908 -1 7 {} N 0.0 {0.423038208637 0.343193700499 0.554770366309} N7 3909 -1 8 {} O 0.0 {0.366607043389 0.32177849139 0.487805687262} O3 3910 -1 6 {} C 0.0 {0.38512108587 0.297726466255 0.488734287447} C1 3911 -1 8 {} O 0.0 {0.387936834324 0.318630401815 0.46687915659} O4 3912 -1 7 {} N 0.0 {0.401212601627 0.326244807955 0.515398742659} N8 3913 -1 8 {} O 0.0 {0.412909195095 0.353958727742 0.516287769027} O5 3914 -1 1 {} H 0.0 {0.409069342207 0.338882481968 0.47622605156} H1 3915 -1 1 {} H 0.0 {0.415002245007 0.316477072319 0.479089930295} H2 3916 -1 1 {} H 0.0 {0.398418462065 0.314050034303 0.530425918786} H3 3917 -1 1 {} H 0.0 {0.406436979578 0.299040656692 0.532127153561} H4 3918 -1 1 {} H 0.0 {0.409031398543 0.333385846037 0.550753839567} H5 3919 -1 1 {} H 0.0 {0.422534614709 0.327299605152 0.559431139331} H6 3920 -1 1 {} H 0.0 {0.429101975563 0.296624060611 0.547065762527} H7 3921 -1 1 {} H 0.0 {0.44060099263 0.309192098591 0.549157078775} H8 3922 -1 1 {} H 0.0 {0.45199525475 0.344053229452 0.551269938372} H9 3923 -1 1 {} H 0.0 {0.451733686623 0.35845404095 0.541930390652} H10 3924 -1 1 {} H 0.0 {0.432116054805 0.36393448406 0.522937384361} H11 3925 -1 1 {} H 0.0 {0.424786064981 0.368640360719 0.537726674121} H12 3926 -1 1 {} H 0.0 {0.41612682287 0.351233627725 0.555913380135} H13 3927 -1 1 {} H 0.0 {0.430479766891 0.344449591093 0.562450203862} H14 3928 -1 1 {} H 0.0 {0.361433304965 0.314455799161 0.493273372216} H15 3929 -1 1 {} H 0.0 {0.380694982145 0.295884478122 0.498520310455} H16 3930 -1 1 {} H 0.0 {0.395614427701 0.294792164093 0.488881235737} H17 3931 -1 1 {} H 0.0 {0.379824399296 0.291906523858 0.481193121167} H18 3932 -1 1 {} H 0.0 {0.388042332856 0.309377086296 0.461923548288} H19 3933 -1 1 {} H 0.0 {0.39755491199 0.327352662167 0.525310396651} H20 3934 -1 1 {} H 0.0 {0.403985532258 0.31591730599 0.514229671865} H21 3935 -1 1 {} H 0.0 {0.4083089838 0.357552727578 0.507570545964} H22 3936 -1 14 {} Si 0.0 {0.345859382928 0.281173941183 0.669828688159} Si1 3937 -1 8 {} O 0.0 {0.341482843019 0.267418444081 0.658421658187} O1 3938 -1 14 {} Si 0.0 {0.328218979215 0.717313401228 0.666066162053} Si2 3939 -1 8 {} O 0.0 {0.330825543191 0.699605719628 0.661712920721} O2 3940 -1 14 {} Si 0.0 {0.31650975524 0.6896292881 0.667618540893} Si3 3941 -1 7 {} N 0.0 {0.300703014297 0.697755095247 0.662316326373} N1 3942 -1 14 {} Si 0.0 {0.28692885526 0.685935944995 0.666262997235} Si4 3943 -1 14 {} Si 0.0 {0.301349458586 0.698982405271 0.643886356897} Si5 3944 -1 7 {} N 0.0 {0.290743921482 0.669460873286 0.658563381992} N2 3945 -1 7 {} N 0.0 {0.731094021956 0.692465080491 0.659298416462} N3 3946 -1 7 {} N 0.0 {0.285341182671 0.684001593396 0.68467693144} N4 3947 -1 7 {} N 0.0 {0.312016536783 0.713351396754 0.638883433882} N5 3948 -1 7 {} N 0.0 {0.308481320823 0.683266410649 0.637020212587} N6 3949 -1 7 {} N 0.0 {0.284152082331 0.701322609724 0.637362436778} N7 3950 -1 8 {} O 0.0 {0.334992407212 0.29563255372 0.666465098663} O3 3951 -1 6 {} C 0.0 {0.363822591006 0.286093426781 0.66720185154} C1 3952 -1 8 {} O 0.0 {0.343491455327 0.275648506585 0.687201997512} O4 3953 -1 7 {} N 0.0 {0.316996713928 0.688378605965 0.686119097159} N8 3954 -1 8 {} O 0.0 {0.317359278868 0.672761625409 0.660342090599} O5 3955 -1 1 {} H 0.0 {0.31547744768 0.721615930502 0.661199231694} H1 3956 -1 1 {} H 0.0 {0.328636315485 0.718833975543 0.680272770011} H2 3957 -1 1 {} H 0.0 {0.281641292997 0.66396893985 0.658162343687} H3 3958 -1 1 {} H 0.0 {0.297174553528 0.664259801398 0.665439298675} H4 3959 -1 1 {} H 0.0 {0.727980501364 0.700524663045 0.66553152866} H5 3960 -1 1 {} H 0.0 {0.72378418542 0.684662302176 0.660496647082} H6 3961 -1 1 {} H 0.0 {0.28243860414 0.673916619054 0.686543929967} H7 3962 -1 1 {} H 0.0 {0.277068100975 0.690176577078 0.687720816775} H8 3963 -1 1 {} H 0.0 {0.318037372996 0.710111328568 0.630711906123} H9 3964 -1 1 {} H 0.0 {0.318728882034 0.715211846592 0.647066130369} H10 3965 -1 1 {} H 0.0 {0.318723891096 0.685151497246 0.634800440848} H11 3966 -1 1 {} H 0.0 {0.303575786629 0.681504733419 0.627619725411} H12 3967 -1 1 {} H 0.0 {0.277584582701 0.7012904326 0.645756506061} H13 3968 -1 1 {} H 0.0 {0.281818970987 0.692530506976 0.631628816148} H14 3969 -1 1 {} H 0.0 {0.339761819996 0.304407618217 0.669708478986} H15 3970 -1 1 {} H 0.0 {0.364732839341 0.291701089697 0.657899306753} H16 3971 -1 1 {} H 0.0 {0.370006358021 0.277134803823 0.666664061766} H17 3972 -1 1 {} H 0.0 {0.367141544944 0.292304924553 0.675525598645} H18 3973 -1 1 {} H 0.0 {0.336082140405 0.281528083138 0.691753008781} H19 3974 -1 1 {} H 0.0 {0.308654886492 0.693768825616 0.689850231489} H20 3975 -1 1 {} H 0.0 {0.32575794707 0.693685303207 0.689314386634} H21 3976 -1 1 {} H 0.0 {0.325487257947 0.672218008638 0.653738101829} H22 3977 -1 14 {} Si 0.0 {0.324523828773 0.442935870994 0.293621468635} Si1 3978 -1 8 {} O 0.0 {0.337467886944 0.429921529554 0.29267149486} O1 3979 -1 14 {} Si 0.0 {0.35139242152 0.434337374164 0.30376056022} Si2 3980 -1 8 {} O 0.0 {0.365945811062 0.439408770116 0.293676630827} O2 3981 -1 14 {} Si 0.0 {0.361648538087 0.453982315355 0.283232894062} Si3 3982 -1 7 {} N 0.0 {0.360016492968 0.469030863821 0.293916919807} N1 3983 -1 14 {} Si 0.0 {0.376267461709 0.477897339264 0.293035113825} Si4 3984 -1 14 {} Si 0.0 {0.358060763309 0.463112077833 0.311379665271} Si5 3985 -1 7 {} N 0.0 {0.388616027768 0.46891019053 0.303616261807} N2 3986 -1 7 {} N 0.0 {0.374238743735 0.495315487456 0.299203485565} N3 3987 -1 7 {} N 0.0 {0.382213818523 0.478177010869 0.275417346951} N4 3988 -1 7 {} N 0.0 {0.340082840611 0.46354639173 0.316172587741} N5 3989 -1 7 {} N 0.0 {0.364457615374 0.445738431711 0.312737064082} N6 3990 -1 7 {} N 0.0 {0.367826224529 0.474117487949 0.322674998216} N7 3991 -1 8 {} O 0.0 {0.309844171832 0.436378281102 0.302533868695} O3 3992 -1 6 {} C 0.0 {0.319502477072 0.447861784385 0.276310488309} C1 3993 -1 8 {} O 0.0 {0.331074085859 0.457619829917 0.30253171027} O4 3994 -1 7 {} N 0.0 {0.345590807817 0.450925196827 0.274416429309} N8 3995 -1 8 {} O 0.0 {0.375057139077 0.456742962085 0.270923726769} O5 3996 -1 1 {} H 0.0 {0.354872842109 0.422988355701 0.311723714873} H1 3997 -1 1 {} H 0.0 {0.347458775712 0.445116296828 0.312285935824} H2 3998 -1 1 {} H 0.0 {0.395739301542 0.476070510095 0.306946010809} H3 3999 -1 1 {} H 0.0 {0.393874228172 0.462125800955 0.297126392162} H4 4000 -1 1 {} H 0.0 {0.36492012789 0.495780911901 0.304331866659} H5 4001 -1 1 {} H 0.0 {0.373258150409 0.501571693359 0.290504889787} H6 4002 -1 1 {} H 0.0 {0.39269027805 0.480086452982 0.275648934295} H7 4003 -1 1 {} H 0.0 {0.377642086997 0.486727936033 0.270750146078} H8 4004 -1 1 {} H 0.0 {0.338554235276 0.472358320361 0.321941687967} H9 4005 -1 1 {} H 0.0 {0.338444136678 0.455224313054 0.322797756771} H10 4006 -1 1 {} H 0.0 {0.362919523414 0.442593679121 0.322791444308} H11 4007 -1 1 {} H 0.0 {0.375102160352 0.446261425916 0.311283355682} H12 4008 -1 1 {} H 0.0 {0.376437442367 0.477313241916 0.317289606578} H13 4009 -1 1 {} H 0.0 {0.371363565708 0.467909848985 0.330711269383} H14 4010 -1 1 {} H 0.0 {0.301103542789 0.439530861236 0.297625686562} H15 4011 -1 1 {} H 0.0 {0.310528994083 0.442428873602 0.273566024276} H16 4012 -1 1 {} H 0.0 {0.327500616126 0.445403980366 0.269371676827} H17 4013 -1 1 {} H 0.0 {0.317547058756 0.4585792869 0.275966444219} H18 4014 -1 1 {} H 0.0 {0.341157776831 0.459034007946 0.30000387681} H19 4015 -1 1 {} H 0.0 {0.340438047796 0.460235411047 0.273902550109} H20 4016 -1 1 {} H 0.0 {0.339754365035 0.444533451315 0.280776941129} H21 4017 -1 1 {} H 0.0 {0.382728820136 0.449745526331 0.27249798109} H22 4018 -1 14 {} Si 0.0 {0.396158869506 0.650728124951 0.307398268739} Si1 4019 -1 8 {} O 0.0 {0.394667810191 0.632593582741 0.305335080714} O1 4020 -1 14 {} Si 0.0 {0.385091977168 0.625194408923 0.319313480273} Si2 4021 -1 8 {} O 0.0 {0.391394856544 0.631851833089 0.335789377212} O2 4022 -1 14 {} Si 0.0 {0.379567054513 0.643236600637 0.345384418262} Si3 4023 -1 7 {} N 0.0 {0.378138491703 0.637271828705 0.363764880158} N1 4024 -1 14 {} Si 0.0 {0.365651903959 0.623469438019 0.36675626126} Si4 4025 -1 14 {} Si 0.0 {0.372600281128 0.651542664626 0.374386955542} Si5 4026 -1 7 {} N 0.0 {0.34849513771 0.629059246379 0.36233408559} N2 4027 -1 7 {} N 0.0 {0.366020319739 0.61910845143 0.384817262582} N3 4028 -1 7 {} N 0.0 {0.370352793459 0.608365734811 0.357110409388} N4 4029 -1 7 {} N 0.0 {0.355542874845 0.647968025535 0.380901882042} N5 4030 -1 7 {} N 0.0 {0.384335977851 0.65339235062 0.388689891385} N6 4031 -1 7 {} N 0.0 {0.372304566801 0.667251194118 0.364514370392} N7 4032 -1 8 {} O 0.0 {0.400497398216 0.658364244081 0.291221232365} O3 4033 -1 6 {} C 0.0 {0.4096777268 0.654551947479 0.319915148543} C1 4034 -1 8 {} O 0.0 {0.380161892387 0.657511265223 0.313201842265} O4 4035 -1 7 {} N 0.0 {0.362885600422 0.645373238101 0.336886212685} N8 4036 -1 8 {} O 0.0 {0.387315420352 0.659949856392 0.346240017611} O5 4037 -1 1 {} H 0.0 {0.387203578735 0.611101761116 0.318937953047} H1 4038 -1 1 {} H 0.0 {0.371186591741 0.627774492017 0.317548818989} H2 4039 -1 1 {} H 0.0 {0.346570231381 0.637979405055 0.367857678505} H3 4040 -1 1 {} H 0.0 {0.341745514613 0.6215990724 0.366140745061} H4 4041 -1 1 {} H 0.0 {0.373143683863 0.625531913475 0.389465442781} H5 4042 -1 1 {} H 0.0 {0.370011606324 0.609129181627 0.385487500876} H6 4043 -1 1 {} H 0.0 {0.363225703264 0.600812615933 0.359388775054} H7 4044 -1 1 {} H 0.0 {0.379743627346 0.604992855388 0.361093662696} H8 4045 -1 1 {} H 0.0 {0.351210631684 0.657272230784 0.383714780891} H9 4046 -1 1 {} H 0.0 {0.356826138754 0.642310150634 0.389977640056} H10 4047 -1 1 {} H 0.0 {0.385044723278 0.643865620254 0.393440023409} H11 4048 -1 1 {} H 0.0 {0.37958719391 0.659975435027 0.395743178966} H12 4049 -1 1 {} H 0.0 {0.378094599818 0.67442470841 0.369852793582} H13 4050 -1 1 {} H 0.0 {0.36214044558 0.670786025648 0.364687751772} H14 4051 -1 1 {} H 0.0 {0.391910721746 0.65890639066 0.285205021926} H15 4052 -1 1 {} H 0.0 {0.419423528277 0.653594528993 0.315128747615} H16 4053 -1 1 {} H 0.0 {0.409021185376 0.647546629229 0.328230481244} H17 4054 -1 1 {} H 0.0 {0.408445038631 0.664729901711 0.323617280572} H18 4055 -1 1 {} H 0.0 {0.374756135638 0.661175684633 0.304987090673} H19 4056 -1 1 {} H 0.0 {0.355445311012 0.645702059673 0.344378932393} H20 4057 -1 1 {} H 0.0 {0.361020633317 0.636719564528 0.330964557366} H21 4058 -1 1 {} H 0.0 {0.380253750263 0.667278252473 0.343658111174} H22 4059 -1 14 {} Si 0.0 {0.351738070387 0.466855001168 0.604470709205} Si1 4060 -1 8 {} O 0.0 {0.362598433159 0.456139052708 0.61504566199} O1 4061 -1 14 {} Si 0.0 {0.353328355615 0.44979259033 0.629788408723} Si2 4062 -1 8 {} O 0.0 {0.350945456532 0.43149246159 0.627494390907} O2 4063 -1 14 {} Si 0.0 {0.353905903458 0.42051032101 0.64289082229} Si3 4064 -1 7 {} N 0.0 {0.343857175852 0.425990127011 0.657624970516} N1 4065 -1 14 {} Si 0.0 {0.352675471299 0.417869789584 0.672703370847} Si4 4066 -1 14 {} Si 0.0 {0.326908456157 0.416698616081 0.65512331831} Si5 4067 -1 7 {} N 0.0 {0.371420583833 0.420181955105 0.67213751932} N2 4068 -1 7 {} N 0.0 {0.348481802341 0.399564822326 0.672158641789} N3 4069 -1 7 {} N 0.0 {0.346053915565 0.425198290176 0.688596793771} N4 4070 -1 7 {} N 0.0 {0.325880161325 0.401910908256 0.666525177512} N5 4071 -1 7 {} N 0.0 {0.31147492076 0.427780502995 0.657213597492} N6 4072 -1 7 {} N 0.0 {0.326490462489 0.410298709536 0.637645991137} N7 4073 -1 8 {} O 0.0 {0.345548903091 0.480964167759 0.614482467105} O3 4074 -1 6 {} C 0.0 {0.337145860884 0.457044320702 0.597682669181} C1 4075 -1 8 {} O 0.0 {0.361494513383 0.473248963921 0.59028206055} O4 4076 -1 7 {} N 0.0 {0.37208148174 0.419616336339 0.64698104647} N8 4077 -1 8 {} O 0.0 {0.347527027946 0.403518400071 0.639149703606} O5 4078 -1 1 {} H 0.0 {0.340610043575 0.456198192695 0.63044991773} H1 4079 -1 1 {} H 0.0 {0.360752050762 0.452626934987 0.641757491883} H2 4080 -1 1 {} H 0.0 {0.374268130393 0.424995398022 0.681211463182} H3 4081 -1 1 {} H 0.0 {0.373641525658 0.427117612302 0.664317769624} H4 4082 -1 1 {} H 0.0 {0.341922167461 0.398027441702 0.663949352128} H5 4083 -1 1 {} H 0.0 {0.342779484775 0.397403011444 0.681093343449} H6 4084 -1 1 {} H 0.0 {0.344718757636 0.435484187717 0.687283241779} H7 4085 -1 1 {} H 0.0 {0.336609633693 0.420930952765 0.690254008935} H8 4086 -1 1 {} H 0.0 {0.315659070281 0.400551358196 0.669101238865} H9 4087 -1 1 {} H 0.0 {0.331007345109 0.404507129075 0.675548296455} H10 4088 -1 1 {} H 0.0 {0.312718710637 0.434332841549 0.665458205766} H11 4089 -1 1 {} H 0.0 {0.303256663326 0.421227730403 0.659655407837} H12 4090 -1 1 {} H 0.0 {0.316635886945 0.412039013896 0.633900625917} H13 4091 -1 1 {} H 0.0 {0.327679018751 0.399642047673 0.638225949153} H14 4092 -1 1 {} H 0.0 {0.337896609196 0.48585338616 0.609246018941} H15 4093 -1 1 {} H 0.0 {0.32901124648 0.457100756161 0.604941750742} H16 4094 -1 1 {} H 0.0 {0.340244631277 0.446778485961 0.595709508575} H17 4095 -1 1 {} H 0.0 {0.333726570313 0.461631310667 0.588389167818} H18 4096 -1 1 {} H 0.0 {0.357043446458 0.470115330804 0.581286757611} H19 4097 -1 1 {} H 0.0 {0.373120712687 0.413368147905 0.655578341607} H20 4098 -1 1 {} H 0.0 {0.375098385153 0.42948837142 0.649951138164} H21 4099 -1 1 {} H 0.0 {0.341798555973 0.403732676433 0.630359017975} H22 4100 -1 14 {} Si 0.0 {0.402746596454 0.530812338775 0.546045578358} Si1 4101 -1 8 {} O 0.0 {0.404360548477 0.526536190001 0.563907319035} O1 4102 -1 14 {} Si 0.0 {0.391996343269 0.513563939798 0.568228002031} Si2 4103 -1 8 {} O 0.0 {0.400680253295 0.498636725216 0.574818150499} O2 4104 -1 14 {} Si 0.0 {0.401087998061 0.499067967318 0.593298267316} Si3 4105 -1 7 {} N 0.0 {0.404793919928 0.48172172176 0.599778726146} N1 4106 -1 14 {} Si 0.0 {0.388906268248 0.471646163112 0.599488424736} Si4 4107 -1 14 {} Si 0.0 {0.410756165133 0.482821757432 0.617851321054} Si5 4108 -1 7 {} N 0.0 {0.391501465892 0.456361149406 0.589226845363} N2 4109 -1 7 {} N 0.0 {0.375066514568 0.481532254059 0.592007301289} N3 4110 -1 7 {} N 0.0 {0.384297617099 0.466678229701 0.616837057507} N4 4111 -1 7 {} N 0.0 {0.41745871517 0.49998351503 0.621522068019} N5 4112 -1 7 {} N 0.0 {0.396520473679 0.478798681775 0.629304888875} N6 4113 -1 7 {} N 0.0 {0.42440644969 0.47050022951 0.620701992991} N7 4114 -1 8 {} O 0.0 {0.408441499031 0.516619325829 0.535822203759} O3 4115 -1 6 {} C 0.0 {0.413257349804 0.545924473696 0.542153923981} C1 4116 -1 8 {} O 0.0 {0.3851330945 0.534471364924 0.542182096948} O4 4117 -1 7 {} N 0.0 {0.384654853323 0.505155435926 0.599690197815} N8 4118 -1 8 {} O 0.0 {0.414328123495 0.510590015511 0.59877846936} O5 4119 -1 1 {} H 0.0 {0.384637699999 0.509971619644 0.556492557495} H1 4120 -1 1 {} H 0.0 {0.382991935584 0.51864759174 0.578097012782} H2 4121 -1 1 {} H 0.0 {0.3819472866 0.453394202119 0.585527873456} H3 4122 -1 1 {} H 0.0 {0.394701505242 0.448625342858 0.595955477504} H4 4123 -1 1 {} H 0.0 {0.379435350983 0.489299493708 0.586208066605} H5 4124 -1 1 {} H 0.0 {0.369831009275 0.486245120659 0.600176856713} H6 4125 -1 1 {} H 0.0 {0.38488641263 0.456043887525 0.61733761504} H7 4126 -1 1 {} H 0.0 {0.373927675188 0.469232197749 0.618133920368} H8 4127 -1 1 {} H 0.0 {0.424398752207 0.499006498899 0.629550275965} H9 4128 -1 1 {} H 0.0 {0.409270496852 0.505875448526 0.625281303876} H10 4129 -1 1 {} H 0.0 {0.389093684881 0.486322738983 0.627940463431} H11 4130 -1 1 {} H 0.0 {0.400219933449 0.479898535118 0.639381761566} H12 4131 -1 1 {} H 0.0 {0.421827169073 0.464858268456 0.629376276602} H13 4132 -1 1 {} H 0.0 {0.433176237401 0.47618830656 0.62327877321} H14 4133 -1 1 {} H 0.0 {0.418905752422 0.516905348513 0.534984458468} H15 4134 -1 1 {} H 0.0 {0.420201345349 0.543542798296 0.534091445331} H16 4135 -1 1 {} H 0.0 {0.418861595445 0.548846070256 0.551024494967} H17 4136 -1 1 {} H 0.0 {0.406798118877 0.554149203867 0.539065479791} H18 4137 -1 1 {} H 0.0 {0.384299369846 0.544361683145 0.538743899528} H19 4138 -1 1 {} H 0.0 {0.377385828472 0.497920643429 0.597238886555} H20 4139 -1 1 {} H 0.0 {0.38220446446 0.513961434084 0.594039061755} H21 4140 -1 1 {} H 0.0 {0.419629403393 0.514032310075 0.590402098583} H22 4141 -1 14 {} Si 0.0 {0.705916894797 0.624157645767 0.364812724952} Si1 4142 -1 8 {} O 0.0 {0.710793777174 0.608296191695 0.372646046252} O1 4143 -1 14 {} Si 0.0 {0.705445311737 0.608497646704 0.390180928385} Si2 4144 -1 8 {} O 0.0 {0.715733123002 0.620610008714 0.399520125522} O2 4145 -1 14 {} Si 0.0 {0.704904588436 0.633971366037 0.406024926193} Si3 4146 -1 7 {} N 0.0 {0.70491754038 0.633614318014 0.424547420524} N1 4147 -1 14 {} Si 0.0 {0.703316014803 0.615753391636 0.429538236959} Si4 4148 -1 14 {} Si 0.0 {0.68947341412 0.642581612848 0.429956622136} Si5 4149 -1 7 {} N 0.0 {0.685371968467 0.611577695306 0.432202788183} N2 4150 -1 7 {} N 0.0 {0.71293120609 0.612817381569 0.445304939891} N3 4151 -1 7 {} N 0.0 {0.710109469543 0.604986556265 0.415950216894} N4 4152 -1 7 {} N 0.0 {0.693621736991 0.660328641463 0.433628319795} N5 4153 -1 7 {} N 0.0 {0.676916363318 0.641895683758 0.416297145093} N6 4154 -1 7 {} N 0.0 {0.682393637051 0.634650046397 0.445152902207} N7 4155 -1 8 {} O 0.0 {0.713712450106 0.638130913509 0.373906252081} O3 4156 -1 6 {} C 0.0 {0.687217431558 0.625902191121 0.36549455564} C1 4157 -1 8 {} O 0.0 {0.711502034557 0.624335603892 0.347300493113} O4 4158 -1 7 {} N 0.0 {0.687528962224 0.631352530424 0.400000421258} N8 4159 -1 8 {} O 0.0 {0.71108525953 0.650250037332 0.400172409298} O5 4160 -1 1 {} H 0.0 {0.707028091676 0.595454591447 0.395836851588} H1 4161 -1 1 {} H 0.0 {0.691690578684 0.612374550007 0.390912565239} H2 4162 -1 1 {} H 0.0 {0.683766335426 0.610955733649 0.442700353121} H3 4163 -1 1 {} H 0.0 {0.683907388314 0.601651542837 0.428283166222} H4 4164 -1 1 {} H 0.0 {0.721272549092 0.619424417106 0.445205054371} H5 4165 -1 1 {} H 0.0 {0.716937593226 0.602832325286 0.444747617165} H6 4166 -1 1 {} H 0.0 {0.708405014492 0.610062747465 0.406871272297} H7 4167 -1 1 {} H 0.0 {0.704012146278 0.596119699909 0.415636241153} H8 4168 -1 1 {} H 0.0 {0.685441511647 0.664420404415 0.439095303096} H9 4169 -1 1 {} H 0.0 {0.693856267286 0.665456474243 0.424173041626} H10 4170 -1 1 {} H 0.0 {0.675060938916 0.65191314411 0.413211134781} H11 4171 -1 1 {} H 0.0 {0.667780546532 0.638295219975 0.420690283334} H12 4172 -1 1 {} H 0.0 {0.675046934983 0.627642133866 0.441929153281} H13 4173 -1 1 {} H 0.0 {0.677114925218 0.642379662329 0.450484404346} H14 4174 -1 1 {} H 0.0 {0.70708228075 0.641638667383 0.381259063498} H15 4175 -1 1 {} H 0.0 {0.683796474892 0.6243522581 0.375733443443} H16 4176 -1 1 {} H 0.0 {0.6826365922 0.618467680215 0.358973909429} H17 4177 -1 1 {} H 0.0 {0.68437356741 0.635885308559 0.362188254295} H18 4178 -1 1 {} H 0.0 {0.703138456624 0.623946386354 0.340978931249} H19 4179 -1 1 {} H 0.0 {0.683260814177 0.640977795269 0.398410877422} H20 4180 -1 1 {} H 0.0 {0.682083414192 0.626898008318 0.408168716061} H21 4181 -1 1 {} H 0.0 {0.718772849319 0.648734108694 0.393186260006} H22 4182 -1 14 {} Si 0.0 {0.503885880852 0.590788129505 0.308656827835} Si1 4183 -1 8 {} O 0.0 {0.502249296127 0.609052535827 0.310733423659} O1 4184 -1 14 {} Si 0.0 {0.486630838636 0.614886544863 0.302869064962} Si2 4185 -1 8 {} O 0.0 {0.472400980316 0.610741061852 0.313798810088} O2 4186 -1 14 {} Si 0.0 {0.459546026905 0.624011848724 0.313100371271} Si3 4187 -1 7 {} N 0.0 {0.458684455788 0.631428823118 0.296065210783} N1 4188 -1 14 {} Si 0.0 {0.442927567019 0.641244155016 0.295463792657} Si4 4189 -1 14 {} Si 0.0 {0.456691884505 0.617497950279 0.283942360472} Si5 4190 -1 7 {} N 0.0 {0.446659145149 0.658855378808 0.290859133452} N2 4191 -1 7 {} N 0.0 {0.434784654565 0.640778564963 0.312174786677} N3 4192 -1 7 {} N 0.0 {0.431520989782 0.633775998087 0.282826927863} N4 4193 -1 7 {} N 0.0 {0.442722456063 0.6214530888 0.272311357851} N5 4194 -1 7 {} N 0.0 {0.472406156584 0.615389664032 0.274246204854} N6 4195 -1 7 {} N 0.0 {0.452844452456 0.601808482908 0.293098192083} N7 4196 -1 8 {} O 0.0 {0.503110719579 0.582624267067 0.325149659103} O3 4197 -1 6 {} C 0.0 {0.520354505297 0.586917408044 0.300539466214} C1 4198 -1 8 {} O 0.0 {0.490270093264 0.584469485994 0.298043000007} O4 4199 -1 7 {} N 0.0 {0.463607860638 0.637390327913 0.325385100031} N8 4200 -1 8 {} O 0.0 {0.44318220837 0.616746875467 0.317286396036} O5 4201 -1 1 {} H 0.0 {0.4849736162 0.608420165769 0.290225419068} H1 4202 -1 1 {} H 0.0 {0.487261864535 0.629042715601 0.300951744456} H2 4203 -1 1 {} H 0.0 {0.438387221705 0.664767016166 0.294057925234} H3 4204 -1 1 {} H 0.0 {0.446745487014 0.659278174858 0.280111529229} H4 4205 -1 1 {} H 0.0 {0.44250537443 0.639509549585 0.319414315047} H5 4206 -1 1 {} H 0.0 {0.428829935416 0.631817108459 0.312453325842} H6 4207 -1 1 {} H 0.0 {0.431142981333 0.640472958134 0.274557654457} H7 4208 -1 1 {} H 0.0 {0.421687686354 0.633729619086 0.287190565205} H8 4209 -1 1 {} H 0.0 {0.436541681387 0.612795575465 0.271725951031} H9 4210 -1 1 {} H 0.0 {0.447092050893 0.62276873535 0.262567998063} H10 4211 -1 1 {} H 0.0 {0.479720054705 0.621741509859 0.278667454308} H11 4212 -1 1 {} H 0.0 {0.470498639515 0.61930186313 0.264402066807} H12 4213 -1 1 {} H 0.0 {0.458895760802 0.601697055748 0.30185881071} H13 4214 -1 1 {} H 0.0 {0.456266071648 0.593712098102 0.286907582465} H14 4215 -1 1 {} H 0.0 {0.506520624389 0.572719921864 0.324314113627} H15 4216 -1 1 {} H 0.0 {0.524209106774 0.577488651486 0.304447177706} H16 4217 -1 1 {} H 0.0 {0.52741058749 0.594939538918 0.302693268023} H17 4218 -1 1 {} H 0.0 {0.518996243814 0.58608638961 0.289769485846} H18 4219 -1 1 {} H 0.0 {0.493421938343 0.575672683493 0.293216971004} H19 4220 -1 1 {} H 0.0 {0.461483260858 0.646736075173 0.320693088168} H20 4221 -1 1 {} H 0.0 {0.474242666251 0.637080311744 0.326902026559} H21 4222 -1 1 {} H 0.0 {0.44401181171 0.611161220742 0.32612693904} H22 4223 -1 14 {} Si 0.0 {0.602650213598 0.313001276201 0.363638814389} Si1 4224 -1 8 {} O 0.0 {0.58623356252 0.321311841973 0.363216146975} O1 4225 -1 14 {} Si 0.0 {0.587988719798 0.338649853092 0.369078093198} Si2 4226 -1 8 {} O 0.0 {0.591953952526 0.338622969269 0.386992329523} O2 4227 -1 14 {} Si 0.0 {0.585553197788 0.354021323948 0.394708790019} Si3 4228 -1 7 {} N 0.0 {0.598981022774 0.361524534388 0.404982218498} N1 4229 -1 14 {} Si 0.0 {0.611520717219 0.348078500906 0.407308240401} Si4 4230 -1 14 {} Si 0.0 {0.591679617802 0.365548956392 0.421698457661} Si5 4231 -1 7 {} N 0.0 {0.60269647779 0.331782851788 0.409065854909} N2 4232 -1 7 {} N 0.0 {0.621635456637 0.351380942232 0.422514725287} N3 4233 -1 7 {} N 0.0 {0.622606393912 0.347518848358 0.392386616302} N4 4234 -1 7 {} N 0.0 {0.573399100983 0.368476768513 0.419939517679} N5 4235 -1 7 {} N 0.0 {0.594568646681 0.351421166267 0.43342546457} N6 4236 -1 7 {} N 0.0 {0.599723421425 0.380892750186 0.42844621329} N7 4237 -1 8 {} O 0.0 {0.60603780267 0.30692763445 0.380697299514} O3 4238 -1 6 {} C 0.0 {0.61601594366 0.32521848981 0.358499262716} C1 4239 -1 8 {} O 0.0 {0.602571027328 0.29877441753 0.351992881017} O4 4240 -1 7 {} N 0.0 {0.571032302115 0.349887018466 0.405541719135} N8 4241 -1 8 {} O 0.0 {0.580479178664 0.365811241788 0.381534087187} O5 4242 -1 1 {} H 0.0 {0.575725275024 0.345681735214 0.366940434541} H1 4243 -1 1 {} H 0.0 {0.598521132627 0.345096776042 0.361852554051} H2 4244 -1 1 {} H 0.0 {0.609668199503 0.324816158512 0.413074657469} H3 4245 -1 1 {} H 0.0 {0.600393493562 0.328424930231 0.399096129517} H4 4246 -1 1 {} H 0.0 {0.617550239585 0.360015771872 0.427207439295} H5 4247 -1 1 {} H 0.0 {0.631477171975 0.354093212422 0.419128005687} H6 4248 -1 1 {} H 0.0 {0.619551397183 0.339181533054 0.386488967869} H7 4249 -1 1 {} H 0.0 {0.632490111201 0.345290911831 0.395957751617} H8 4250 -1 1 {} H 0.0 {0.571923381622 0.379018576538 0.419411709416} H9 4251 -1 1 {} H 0.0 {0.568850450368 0.36520628379 0.429128203882} H10 4252 -1 1 {} H 0.0 {0.585007214417 0.347540268084 0.436101193024} H11 4253 -1 1 {} H 0.0 {0.598756935571 0.355671166628 0.442388845722} H12 4254 -1 1 {} H 0.0 {0.609230882435 0.378040081617 0.432310575873} H13 4255 -1 1 {} H 0.0 {0.593808872301 0.384012331253 0.436873005435} H14 4256 -1 1 {} H 0.0 {0.608601174693 0.315031796126 0.386860619025} H15 4257 -1 1 {} H 0.0 {0.617330400482 0.332687086025 0.366337267789} H16 4258 -1 1 {} H 0.0 {0.613063603646 0.330145532233 0.349247634746} H17 4259 -1 1 {} H 0.0 {0.625401292163 0.31989470415 0.356931762005} H18 4260 -1 1 {} H 0.0 {0.593071704199 0.297925712454 0.347603660258} H19 4261 -1 1 {} H 0.0 {0.565760830595 0.358942263598 0.407366741531} H20 4262 -1 1 {} H 0.0 {0.575070372622 0.346718075891 0.415015971267} H21 4263 -1 1 {} H 0.0 {0.570979995589 0.363139446418 0.377932346707} H22 4264 -1 14 {} Si 0.0 {0.486482371528 0.314321177055 0.503911576605} Si1 4265 -1 8 {} O 0.0 {0.499634752533 0.315963253292 0.491264862939} O1 4266 -1 14 {} Si 0.0 {0.498693521125 0.332860510812 0.484133185149} Si2 4267 -1 8 {} O 0.0 {0.50808592332 0.344561902197 0.494815070378} O2 4268 -1 14 {} Si 0.0 {0.525141673472 0.338191054225 0.497431988463} Si3 4269 -1 7 {} N 0.0 {0.530162654318 0.340844810564 0.515210921638} N1 4270 -1 14 {} Si 0.0 {0.525954415269 0.358388764236 0.519796648734} Si4 4271 -1 14 {} Si 0.0 {0.548664708651 0.339131987445 0.516075418986} Si5 4272 -1 7 {} N 0.0 {0.536984833966 0.370111548999 0.5104986871} N2 4273 -1 7 {} N 0.0 {0.528433200505 0.360789367756 0.538083870362} N3 4274 -1 7 {} N 0.0 {0.508208480176 0.361797613821 0.515471567222} N4 4275 -1 7 {} N 0.0 {0.556678653184 0.352889232948 0.50645775363} N5 4276 -1 7 {} N 0.0 {0.554152870467 0.340005286141 0.533823491525} N6 4277 -1 7 {} N 0.0 {0.553630684155 0.322742810612 0.508841321329} N7 4278 -1 8 {} O 0.0 {0.482703459058 0.296542068388 0.506739083838} O3 4279 -1 6 {} C 0.0 {0.471064429863 0.323154080739 0.497819821565} C1 4280 -1 8 {} O 0.0 {0.492185850175 0.322016160304 0.519606444752} O4 4281 -1 7 {} N 0.0 {0.536853307551 0.347213144508 0.486167005339} N8 4282 -1 8 {} O 0.0 {0.525617155875 0.320195100718 0.493591302543} O5 4283 -1 1 {} H 0.0 {0.485008236326 0.336964840613 0.483532395219} H1 4284 -1 1 {} H 0.0 {0.504238822503 0.332829085289 0.470962133995} H2 4285 -1 1 {} H 0.0 {0.544958441194 0.372802511333 0.517044935014} H3 4286 -1 1 {} H 0.0 {0.531250773636 0.37906318854 0.508826449319} H4 4287 -1 1 {} H 0.0 {0.532554029204 0.351752635989 0.541935047187} H5 4288 -1 1 {} H 0.0 {0.518637034158 0.36178301032 0.542424822686} H6 4289 -1 1 {} H 0.0 {0.506938531271 0.372370874698 0.515452356677} H7 4290 -1 1 {} H 0.0 {0.502273781265 0.358012493677 0.523612001801} H8 4291 -1 1 {} H 0.0 {0.557665182472 0.349564114796 0.49640405275} H9 4292 -1 1 {} H 0.0 {0.566664262638 0.353937399046 0.510319738055} H10 4293 -1 1 {} H 0.0 {0.557841755175 0.349863284899 0.535507256679} H11 4294 -1 1 {} H 0.0 {0.562578041528 0.333381797803 0.534776925856} H12 4295 -1 1 {} H 0.0 {0.56102179762 0.318559022143 0.515264751773} H13 4296 -1 1 {} H 0.0 {0.558521032605 0.324847635608 0.499496840695} H14 4297 -1 1 {} H 0.0 {0.472415110744 0.295412634219 0.508547535436} H15 4298 -1 1 {} H 0.0 {0.462656846441 0.31623496724 0.497846841668} H16 4299 -1 1 {} H 0.0 {0.472744908416 0.326784911545 0.487674938294} H17 4300 -1 1 {} H 0.0 {0.468875276125 0.331577422129 0.504371905808} H18 4301 -1 1 {} H 0.0 {0.500043393091 0.328691634726 0.517550191206} H19 4302 -1 1 {} H 0.0 {0.546598954291 0.34338476826 0.488024504652} H20 4303 -1 1 {} H 0.0 {0.536920889942 0.357485251949 0.489363896325} H21 4304 -1 1 {} H 0.0 {0.528826883532 0.318821264238 0.483688235742} H22 4305 -1 14 {} Si 0.0 {0.380188618213 0.38299424833 0.377772222367} Si1 4306 -1 8 {} O 0.0 {0.36487185642 0.392453565814 0.373205756098} O1 4307 -1 14 {} Si 0.0 {0.360262433416 0.389266944521 0.355267716917} Si2 4308 -1 8 {} O 0.0 {0.374132355343 0.39436409967 0.343687341972} O2 4309 -1 14 {} Si 0.0 {0.374998732356 0.412869534166 0.342085977535} Si3 4310 -1 7 {} N 0.0 {0.363544732949 0.42008481599 0.354323727719} N1 4311 -1 14 {} Si 0.0 {0.372062085314 0.435172541088 0.361213047793} Si4 4312 -1 14 {} Si 0.0 {0.363476018227 0.407203872565 0.3671922589} Si5 4313 -1 7 {} N 0.0 {0.364621723521 0.439621080111 0.377618345983} N2 4314 -1 7 {} N 0.0 {0.370063391769 0.449463542825 0.349441694419} N3 4315 -1 7 {} N 0.0 {0.390150142551 0.431496046097 0.363411548634} N4 4316 -1 7 {} N 0.0 {0.368877526083 0.414319059976 0.38345434045} N5 4317 -1 7 {} N 0.0 {0.346477803879 0.39986326766 0.368820296022} N6 4318 -1 7 {} N 0.0 {0.375758637334 0.394041207982 0.361491381203} N7 4319 -1 8 {} O 0.0 {0.3776063426 0.374539470804 0.393890908704} O3 4320 -1 6 {} C 0.0 {0.394792825667 0.394825567297 0.379191325681} C1 4321 -1 8 {} O 0.0 {0.383743906053 0.370470539937 0.36475476228} O4 4322 -1 7 {} N 0.0 {0.370402931382 0.418156179272 0.324901998032} N8 4323 -1 8 {} O 0.0 {0.392048182158 0.418499509485 0.346041307597} O5 4324 -1 1 {} H 0.0 {0.348438789534 0.396622205846 0.35205788034} H1 4325 -1 1 {} H 0.0 {0.357707074165 0.375285865558 0.353588130513} H2 4326 -1 1 {} H 0.0 {0.365994526269 0.45010550888 0.378959181282} H3 4327 -1 1 {} H 0.0 {0.370602534733 0.434768639367 0.385123276255} H4 4328 -1 1 {} H 0.0 {0.362176538705 0.446977222149 0.342735019722} H5 4329 -1 1 {} H 0.0 {0.379070177351 0.449907645954 0.343558550378} H6 4330 -1 1 {} H 0.0 {0.391233096888 0.426427328658 0.372715971417} H7 4331 -1 1 {} H 0.0 {0.395119890799 0.440973854586 0.364485471887} H8 4332 -1 1 {} H 0.0 {0.37724749795 0.408622025649 0.386750258349} H9 4333 -1 1 {} H 0.0 {0.360927887062 0.412387067612 0.390437354679} H10 4334 -1 1 {} H 0.0 {0.339825091122 0.407783985511 0.371350767931} H11 4335 -1 1 {} H 0.0 {0.346791734009 0.393331168825 0.377317654157} H12 4336 -1 1 {} H 0.0 {0.372087213501 0.384396261781 0.364316100015} H13 4337 -1 1 {} H 0.0 {0.384779742058 0.395657819739 0.366975285831} H14 4338 -1 1 {} H 0.0 {0.379480040594 0.381282849615 0.401706197749} H15 4339 -1 1 {} H 0.0 {0.399713988994 0.393392201333 0.388800809638} H16 4340 -1 1 {} H 0.0 {0.391244468696 0.405105351603 0.378422145732} H17 4341 -1 1 {} H 0.0 {0.401880516668 0.392822117886 0.371144601944} H18 4342 -1 1 {} H 0.0 {0.39016273118 0.374645812033 0.357556379492} H19 4343 -1 1 {} H 0.0 {0.378867491973 0.423189649947 0.320807703959} H20 4344 -1 1 {} H 0.0 {0.362664893831 0.425536522824 0.325924597326} H21 4345 -1 1 {} H 0.0 {0.39582170424 0.412793454061 0.35403577332} H22 4346 -1 14 {} Si 0.0 {0.387094900807 0.684800395553 0.492609418259} Si1 4347 -1 8 {} O 0.0 {0.381999906478 0.6794245832 0.509465628468} O1 4348 -1 14 {} Si 0.0 {0.396950379129 0.676541403551 0.519830929012} Si2 4349 -1 8 {} O 0.0 {0.401722386291 0.658795191165 0.518807088445} O2 4350 -1 14 {} Si 0.0 {0.386561690181 0.648766050823 0.516184428868} Si3 4351 -1 7 {} N 0.0 {0.381828145183 0.649439382156 0.498135830483} N1 4352 -1 14 {} Si 0.0 {0.363545395125 0.652103108234 0.497115122509} Si4 4353 -1 14 {} Si 0.0 {0.385045508307 0.63278676654 0.490607590682} Si5 4354 -1 7 {} N 0.0 {0.35518635397 0.643503718743 0.511326840331} N2 4355 -1 7 {} N 0.0 {0.35727863411 0.645004803908 0.481137988521} N3 4356 -1 7 {} N 0.0 {0.359920012017 0.670328765922 0.497666382234} N4 4357 -1 7 {} N 0.0 {0.40208726412 0.626942808148 0.495113596621} N5 4358 -1 7 {} N 0.0 {0.37243000437 0.620622067053 0.496837499933} N6 4359 -1 7 {} N 0.0 {0.38362124587 0.634157116723 0.472111159534} N7 4360 -1 8 {} O 0.0 {0.374649572808 0.696597057665 0.485943919198} O3 4361 -1 6 {} C 0.0 {0.388204253624 0.669827932501 0.481276376877} C1 4362 -1 8 {} O 0.0 {0.403512938703 0.693052603317 0.493495098524} O4 4363 -1 7 {} N 0.0 {0.372861968485 0.655859939172 0.526551059282} N8 4364 -1 8 {} O 0.0 {0.389689271256 0.631340669362 0.52119273158} O5 4365 -1 1 {} H 0.0 {0.394026588797 0.679914143601 0.53342280399} H1 4366 -1 1 {} H 0.0 {0.407703019504 0.684686080662 0.515098879545} H2 4367 -1 1 {} H 0.0 {0.360991226137 0.634886646422 0.513672518385} H3 4368 -1 1 {} H 0.0 {0.345730610214 0.639913714926 0.507633700903} H4 4369 -1 1 {} H 0.0 {0.365418504616 0.645061331944 0.474256851027} H5 4370 -1 1 {} H 0.0 {0.350009096195 0.651933463773 0.477337598739} H6 4371 -1 1 {} H 0.0 {0.361740894897 0.673614451407 0.50762463683} H7 4372 -1 1 {} H 0.0 {0.349360768543 0.671439038965 0.495941664968} H8 4373 -1 1 {} H 0.0 {0.406120299871 0.622092678287 0.486515913123} H9 4374 -1 1 {} H 0.0 {0.40084535803 0.619328575851 0.502612829541} H10 4375 -1 1 {} H 0.0 {0.36285783268 0.625213121011 0.495880629806} H11 4376 -1 1 {} H 0.0 {0.37421763281 0.619427141939 0.507374306525} H12 4377 -1 1 {} H 0.0 {0.379743968571 0.624905039816 0.468534256689} H13 4378 -1 1 {} H 0.0 {0.393638859559 0.634970979201 0.468292524975} H14 4379 -1 1 {} H 0.0 {0.365048282756 0.693629212251 0.4889977603} H15 4380 -1 1 {} H 0.0 {0.378433228774 0.665042104546 0.480607228576} H16 4381 -1 1 {} H 0.0 {0.395449522328 0.662749346272 0.48529875154} H17 4382 -1 1 {} H 0.0 {0.391371776239 0.673017963258 0.471342895702} H18 4383 -1 1 {} H 0.0 {0.40822785917 0.692448159133 0.484132768584} H19 4384 -1 1 {} H 0.0 {0.36388123743 0.650970321084 0.523704858006} H20 4385 -1 1 {} H 0.0 {0.37181743953 0.666175280461 0.523632355208} H21 4386 -1 1 {} H 0.0 {0.39972756499 0.630290183105 0.524080141606} H22 4387 -1 14 {} Si 0.0 {0.540675170519 0.493858661701 0.547410329668} Si1 4388 -1 8 {} O 0.0 {0.53557787148 0.497198035396 0.564774152886} O1 4389 -1 14 {} Si 0.0 {0.534641016519 0.481324268072 0.574020079197} Si2 4390 -1 8 {} O 0.0 {0.539991917 0.483991858506 0.591426249791} O2 4391 -1 14 {} Si 0.0 {0.556963398498 0.49116977522 0.591738133463} Si3 4392 -1 7 {} N 0.0 {0.56404567589 0.489326309791 0.608833360384} N1 4393 -1 14 {} Si 0.0 {0.565281820649 0.506385905971 0.615968481936} Si4 4394 -1 14 {} Si 0.0 {0.581443868293 0.482953099802 0.607251112188} Si5 4395 -1 7 {} N 0.0 {0.580443826935 0.507539552075 0.626636630933} N2 4396 -1 7 {} N 0.0 {0.550206885395 0.509912550062 0.62620477858} N3 4397 -1 7 {} N 0.0 {0.566474679727 0.518743471487 0.602124390563} N4 4398 -1 7 {} N 0.0 {0.593328979266 0.496820975706 0.610744117201} N5 4399 -1 7 {} N 0.0 {0.584092052783 0.46927748684 0.61955929456} N6 4400 -1 7 {} N 0.0 {0.584331755126 0.476481031068 0.590069027987} N7 4401 -1 8 {} O 0.0 {0.547362940005 0.509271602546 0.539925755326} O3 4402 -1 6 {} C 0.0 {0.525798046609 0.48803315272 0.537490336796} C1 4403 -1 8 {} O 0.0 {0.553652253499 0.480814923211 0.54723513853} O4 4404 -1 7 {} N 0.0 {0.556128863608 0.509244011844 0.587418458009} N8 4405 -1 8 {} O 0.0 {0.567646182866 0.482425636413 0.579581264939} O5 4406 -1 1 {} H 0.0 {0.543184500118 0.471679494018 0.567827567567} H1 4407 -1 1 {} H 0.0 {0.521167448608 0.476536078923 0.573879351283} H2 4408 -1 1 {} H 0.0 {0.578604796106 0.501729330603 0.63537423526} H3 4409 -1 1 {} H 0.0 {0.581174333537 0.51777287587 0.629857446465} H4 4410 -1 1 {} H 0.0 {0.543004186225 0.502415392384 0.623888715352} H5 4411 -1 1 {} H 0.0 {0.546190727692 0.519218077109 0.622649282117} H6 4412 -1 1 {} H 0.0 {0.576648087011 0.518964259273 0.598952039534} H7 4413 -1 1 {} H 0.0 {0.564388830886 0.528382650347 0.606399943582} H8 4414 -1 1 {} H 0.0 {0.602952786104 0.493610088969 0.607574516302} H9 4415 -1 1 {} H 0.0 {0.593811430651 0.497849554503 0.621442023855} H10 4416 -1 1 {} H 0.0 {0.584695149744 0.47378138606 0.629199603795} H11 4417 -1 1 {} H 0.0 {0.593790370091 0.465111293391 0.617507075329} H12 4418 -1 1 {} H 0.0 {0.584698146836 0.465847599297 0.590726760288} H13 4419 -1 1 {} H 0.0 {0.594193808224 0.479704360494 0.587185652439} H14 4420 -1 1 {} H 0.0 {0.539409464644 0.515607074759 0.537304995218} H15 4421 -1 1 {} H 0.0 {0.518789350693 0.496290728834 0.536263537817} H16 4422 -1 1 {} H 0.0 {0.520889329056 0.479852846545 0.542760649425} H17 4423 -1 1 {} H 0.0 {0.529094719486 0.484581047008 0.527688921629} H18 4424 -1 1 {} H 0.0 {0.558749890664 0.481089177695 0.538061187591} H19 4425 -1 1 {} H 0.0 {0.550276953416 0.514018292428 0.594940476583} H20 4426 -1 1 {} H 0.0 {0.550538680586 0.509984411765 0.578266812352} H21 4427 -1 1 {} H 0.0 {0.574088276055 0.489345213377 0.574994725864} H22 4428 -1 14 {} Si 0.0 {0.324136885305 0.287289053236 0.55874163542} Si1 4429 -1 8 {} O 0.0 {0.335728532185 0.295310091997 0.546833539435} O1 4430 -1 14 {} Si 0.0 {0.327261644148 0.30960350397 0.538729573147} Si2 4431 -1 8 {} O 0.0 {0.33032922364 0.325085299552 0.548294060356} O2 4432 -1 14 {} Si 0.0 {0.346556471746 0.332736785946 0.543621722713} Si3 4433 -1 7 {} N 0.0 {0.346882374382 0.337608036442 0.525651144292} N1 4434 -1 14 {} Si 0.0 {0.336895595512 0.353273604358 0.523508346334} Si4 4435 -1 14 {} Si 0.0 {0.339307857673 0.323702593435 0.515599257211} Si5 4436 -1 7 {} N 0.0 {0.339119852813 0.359731317026 0.506237852474} N2 4437 -1 7 {} N 0.0 {0.343011000027 0.36596972127 0.535628917375} N3 4438 -1 7 {} N 0.0 {0.318916603296 0.350186780637 0.526654557351} N4 4439 -1 7 {} N 0.0 {0.320816555208 0.323482943578 0.517527745045} N5 4440 -1 7 {} N 0.0 {0.343598940506 0.326056179947 0.497672602803} N6 4441 -1 7 {} N 0.0 {0.346362738971 0.307442607075 0.521424734861} N7 4442 -1 8 {} O 0.0 {0.325076622607 0.295975887855 0.574906419167} O3 4443 -1 6 {} C 0.0 {0.328769702364 0.269162057686 0.561120946029} C1 4444 -1 8 {} O 0.0 {0.306993672761 0.288388884277 0.552239171954} O4 4445 -1 7 {} N 0.0 {0.360294484582 0.32076749367 0.546622413972} N8 4446 -1 8 {} O 0.0 {0.349294629274 0.34772534662 0.553944064709} O5 4447 -1 1 {} H 0.0 {0.313193317957 0.307092317081 0.538283164469} H1 4448 -1 1 {} H 0.0 {0.332160478601 0.311171353302 0.525477116849} H2 4449 -1 1 {} H 0.0 {0.34417080069 0.369083465526 0.507005214173} H3 4450 -1 1 {} H 0.0 {0.329277368146 0.361872093523 0.502457464236} H4 4451 -1 1 {} H 0.0 {0.336138072468 0.366119143501 0.543778768231} H5 4452 -1 1 {} H 0.0 {0.342199167593 0.375519889492 0.530767232959} H6 4453 -1 1 {} H 0.0 {0.314021275765 0.350235899981 0.517248170089} H7 4454 -1 1 {} H 0.0 {0.315241386249 0.358746059254 0.532047063589} H8 4455 -1 1 {} H 0.0 {0.317900486217 0.313289546699 0.518857178238} H9 4456 -1 1 {} H 0.0 {0.316732371371 0.326581214591 0.508083008495} H10 4457 -1 1 {} H 0.0 {0.33901102588 0.335114571576 0.494489119183} H11 4458 -1 1 {} H 0.0 {0.338761939673 0.318100395054 0.492271585975} H12 4459 -1 1 {} H 0.0 {0.35694796905 0.308544715113 0.521818090769} H13 4460 -1 1 {} H 0.0 {0.344317814095 0.300232875841 0.513698067223} H14 4461 -1 1 {} H 0.0 {0.320564355954 0.290056932359 0.582300993729} H15 4462 -1 1 {} H 0.0 {0.327031808211 0.726436351829 0.571511108306} H16 4463 -1 1 {} H 0.0 {0.339287107112 0.267729264952 0.55867876644} H17 4464 -1 1 {} H 0.0 {0.322637475367 0.723071958948 0.554586669632} H18 4465 -1 1 {} H 0.0 {0.300590511095 0.291568055251 0.559904565909} H19 4466 -1 1 {} H 0.0 {0.369012019899 0.326531921976 0.548528389171} H20 4467 -1 1 {} H 0.0 {0.362008471234 0.31570645636 0.53729014331} H21 4468 -1 1 {} H 0.0 {0.340159268437 0.352712887904 0.555344014434} H22 4469 -1 14 {} Si 0.0 {0.588887009659 0.331633143161 0.641569507153} Si1 4470 -1 8 {} O 0.0 {0.589906675048 0.328384445788 0.623472882318} O1 4471 -1 14 {} Si 0.0 {0.600499608365 0.313661792138 0.62036607224} Si2 4472 -1 8 {} O 0.0 {0.589803119187 0.299316630896 0.616513469685} O2 4473 -1 14 {} Si 0.0 {0.573755886666 0.301589902233 0.625027055384} Si3 4474 -1 7 {} N 0.0 {0.575619878944 0.2966364963 0.64271746984} N1 4475 -1 14 {} Si 0.0 {0.590265481949 0.285184256059 0.643390790365} Si4 4476 -1 14 {} Si 0.0 {0.560419302462 0.286909905291 0.647104627392} Si5 4477 -1 7 {} N 0.0 {0.60040782513 0.287524190259 0.627986157962} N2 4478 -1 7 {} N 0.0 {0.584480539804 0.267556701325 0.644364260593} N3 4479 -1 7 {} N 0.0 {0.60067382224 0.289162217533 0.658268343509} N4 4480 -1 7 {} N 0.0 {0.562736610853 0.269131816068 0.642283751895} N5 4481 -1 7 {} N 0.0 {0.55740946987 0.288084866792 0.665327051295} N6 4482 -1 7 {} N 0.0 {0.545840005799 0.293965680362 0.637997901057} N7 4483 -1 8 {} O 0.0 {0.590966032293 0.315885999619 0.650861843625} O3 4484 -1 6 {} C 0.0 {0.572131451895 0.339110419268 0.64564515291} C1 4485 -1 8 {} O 0.0 {0.602163549343 0.34337853091 0.646387702242} O4 4486 -1 7 {} N 0.0 {0.560870830591 0.290927327473 0.616957761517} N8 4487 -1 8 {} O 0.0 {0.56875017292 0.319264906856 0.624078183567} O5 4488 -1 1 {} H 0.0 {0.608338408467 0.3108318637 0.631997981278} H1 4489 -1 1 {} H 0.0 {0.609101467466 0.316229683625 0.609298245728} H2 4490 -1 1 {} H 0.0 {0.596075066299 0.2814349422 0.620392504295} H3 4491 -1 1 {} H 0.0 {0.61012882763 0.283427560412 0.630032616429} H4 4492 -1 1 {} H 0.0 {0.579360340202 0.72553369956 0.635271199145} H5 4493 -1 1 {} H 0.0 {0.577132940981 0.26715244779 0.65219817066} H6 4494 -1 1 {} H 0.0 {0.607816576749 0.29648101077 0.655252269941} H7 4495 -1 1 {} H 0.0 {0.606234416443 0.280249076777 0.66060655663} H8 4496 -1 1 {} H 0.0 {0.554986238874 0.72683945887 0.635407857559} H9 4497 -1 1 {} H 0.0 {0.560922702056 0.723406781041 0.651125540691} H10 4498 -1 1 {} H 0.0 {0.566316714043 0.291873529258 0.669677338617} H11 4499 -1 1 {} H 0.0 {0.556266043473 0.278011695368 0.66892452242} H12 4500 -1 1 {} H 0.0 {0.538644028718 0.296850031159 0.645296530839} H13 4501 -1 1 {} H 0.0 {0.54148285641 0.285876442759 0.632431553162} H14 4502 -1 1 {} H 0.0 {0.584535183731 0.315874345521 0.659181183364} H15 4503 -1 1 {} H 0.0 {0.565814678175 0.331548300437 0.650309534483} H16 4504 -1 1 {} H 0.0 {0.567405820735 0.342642997528 0.636482001067} H17 4505 -1 1 {} H 0.0 {0.573457150549 0.347473063151 0.652507696017} H18 4506 -1 1 {} H 0.0 {0.610982514348 0.338036896807 0.648355629258} H19 4507 -1 1 {} H 0.0 {0.551696177353 0.292689398115 0.622021163569} H20 4508 -1 1 {} H 0.0 {0.563593176113 0.280719096614 0.618996230697} H21 4509 -1 1 {} H 0.0 {0.560562708993 0.320228977542 0.617602587562} H22 4510 -1 14 {} Si 0.0 {0.402734083984 0.337200431314 0.668134307706} Si1 4511 -1 8 {} O 0.0 {0.418363406005 0.345527997521 0.673472761534} O1 4512 -1 14 {} Si 0.0 {0.417770828564 0.348802578271 0.691656941846} Si2 4513 -1 8 {} O 0.0 {0.424226309322 0.365723524338 0.695247181067} O2 4514 -1 14 {} Si 0.0 {0.411517304031 0.378039606865 0.690371467101} Si3 4515 -1 7 {} N 0.0 {0.405520868911 0.373646691861 0.673421271106} N1 4516 -1 14 {} Si 0.0 {0.418818839242 0.378971744935 0.661753267394} Si4 4517 -1 14 {} Si 0.0 {0.390307824773 0.383751475116 0.669647617774} Si5 4518 -1 7 {} N 0.0 {0.419216022241 0.36743890146 0.647206341163} N2 4519 -1 7 {} N 0.0 {0.435210957157 0.378411357734 0.670568564386} N3 4520 -1 7 {} N 0.0 {0.415447771666 0.396338637706 0.656012107486} N4 4521 -1 7 {} N 0.0 {0.376776284609 0.37930452181 0.681582351151} N5 4522 -1 7 {} N 0.0 {0.394158011282 0.401882291989 0.67106877827} N6 4523 -1 7 {} N 0.0 {0.384679259006 0.379985246885 0.652322012895} N7 4524 -1 8 {} O 0.0 {0.392360511047 0.333577591124 0.682888625235} O3 4525 -1 6 {} C 0.0 {0.406772191816 0.321084160632 0.659243348626} C1 4526 -1 8 {} O 0.0 {0.393467364238 0.348269351636 0.656714089482} O4 4527 -1 7 {} N 0.0 {0.41900767855 0.395110437165 0.690156064005} N8 4528 -1 8 {} O 0.0 {0.397599151367 0.377503372657 0.702342835311} O5 4529 -1 1 {} H 0.0 {0.425758466825 0.339129559026 0.698490117817} H1 4530 -1 1 {} H 0.0 {0.40424807904 0.347867780822 0.696190775073} H2 4531 -1 1 {} H 0.0 {0.428976096549 0.363175808628 0.646831660637} H3 4532 -1 1 {} H 0.0 {0.418188800783 0.373526714611 0.638415389487} H4 4533 -1 1 {} H 0.0 {0.433358641516 0.374888268932 0.680467236997} H5 4534 -1 1 {} H 0.0 {0.438557309707 0.388590556213 0.671527960796} H6 4535 -1 1 {} H 0.0 {0.412496455769 0.395777875918 0.645798263784} H7 4536 -1 1 {} H 0.0 {0.424878078401 0.401538161968 0.656205683004} H8 4537 -1 1 {} H 0.0 {0.368139844816 0.384848875141 0.678747321196} H9 4538 -1 1 {} H 0.0 {0.379793065611 0.383034566352 0.691208712623} H10 4539 -1 1 {} H 0.0 {0.39645032275 0.403840177329 0.681277544045} H11 4540 -1 1 {} H 0.0 {0.385004930693 0.407143987028 0.668916276631} H12 4541 -1 1 {} H 0.0 {0.386097578322 0.388817105831 0.646541165293} H13 4542 -1 1 {} H 0.0 {0.374062533412 0.378313642926 0.652816454211} H14 4543 -1 1 {} H 0.0 {0.392294780245 0.32322227563 0.684646756777} H15 4544 -1 1 {} H 0.0 {0.40738615798 0.312975558306 0.66650445868} H16 4545 -1 1 {} H 0.0 {0.416312531492 0.322061923907 0.654072007872} H17 4546 -1 1 {} H 0.0 {0.398922106928 0.318869585769 0.651991843759} H18 4547 -1 1 {} H 0.0 {0.387067541719 0.342503233144 0.650690949034} H19 4548 -1 1 {} H 0.0 {0.415244916933 0.400115123424 0.681524572014} H20 4549 -1 1 {} H 0.0 {0.429582310615 0.393839291428 0.688584676211} H21 4550 -1 1 {} H 0.0 {0.400307263752 0.371493244902 0.250401628475} H22 4551 -1 14 {} Si 0.0 {0.478580426209 0.42867602972 0.531985846406} Si1 4552 -1 8 {} O 0.0 {0.493714668209 0.426759339379 0.521710449422} O1 4553 -1 14 {} Si 0.0 {0.503776700577 0.412988444023 0.528527540232} Si2 4554 -1 8 {} O 0.0 {0.492876465718 0.401918866457 0.538348406633} O2 4555 -1 14 {} Si 0.0 {0.49038106793 0.409069196412 0.555121012173} Si3 4556 -1 7 {} N 0.0 {0.501255669108 0.400177141844 0.567069486198} N1 4557 -1 14 {} Si 0.0 {0.517118199704 0.396875163914 0.558051430014} Si4 4558 -1 14 {} Si 0.0 {0.493018955451 0.383855325357 0.570368727006} Si5 4559 -1 7 {} N 0.0 {0.513557690957 0.395139110615 0.539903588946} N2 4560 -1 7 {} N 0.0 {0.524838045131 0.381204670931 0.564417717175} N3 4561 -1 7 {} N 0.0 {0.528686581573 0.411192140652 0.560658842273} N4 4562 -1 7 {} N 0.0 {0.487300062044 0.383226417969 0.588044706222} N5 4563 -1 7 {} N 0.0 {0.478344934717 0.382143193807 0.559088038242} N6 4564 -1 7 {} N 0.0 {0.50494521068 0.369980366021 0.567178962784} N7 4565 -1 8 {} O 0.0 {0.476578719931 0.413839940968 0.54266351631} O3 4566 -1 6 {} C 0.0 {0.463531200918 0.430424623516 0.520869653512} C1 4567 -1 8 {} O 0.0 {0.480190071944 0.443645655786 0.54254005908} O4 4568 -1 7 {} N 0.0 {0.472669875531 0.406886620575 0.560205209227} N8 4569 -1 8 {} O 0.0 {0.494686404935 0.426957592998 0.554950557237} O5 4570 -1 1 {} H 0.0 {0.51405760859 0.418277962093 0.536949161651} H1 4571 -1 1 {} H 0.0 {0.509703804737 0.40559752092 0.517813265768} H2 4572 -1 1 {} H 0.0 {0.51246289746 0.384750264259 0.537877264266} H3 4573 -1 1 {} H 0.0 {0.522404134388 0.398369132428 0.534704651011} H4 4574 -1 1 {} H 0.0 {0.51999610566 0.378809292629 0.573585653474} H5 4575 -1 1 {} H 0.0 {0.535045191719 0.383547039452 0.566862421893} H6 4576 -1 1 {} H 0.0 {0.522813285716 0.419399563062 0.564075012169} H7 4577 -1 1 {} H 0.0 {0.532437881234 0.413941057121 0.550960029905} H8 4578 -1 1 {} H 0.0 {0.477346605876 0.379409941667 0.588007258787} H9 4579 -1 1 {} H 0.0 {0.486656564431 0.393414940778 0.591443529137} H10 4580 -1 1 {} H 0.0 {0.469799666386 0.385522404087 0.564484332016} H11 4581 -1 1 {} H 0.0 {0.476948198499 0.371622118612 0.557409134334} H12 4582 -1 1 {} H 0.0 {0.499415559427 0.36205381531 0.562681303498} H13 4583 -1 1 {} H 0.0 {0.508141987091 0.366395788986 0.576804939508} H14 4584 -1 1 {} H 0.0 {0.466630318434 0.410529065353 0.542209412579} H15 4585 -1 1 {} H 0.0 {0.455723909765 0.42359379654 0.524233761458} H16 4586 -1 1 {} H 0.0 {0.466289776151 0.428028174889 0.510598960764} H17 4587 -1 1 {} H 0.0 {0.459838432112 0.44065611306 0.521345162847} H18 4588 -1 1 {} H 0.0 {0.472872396266 0.443404392798 0.550061894217} H19 4589 -1 1 {} H 0.0 {0.467626665102 0.41597918583 0.558012449918} H20 4590 -1 1 {} H 0.0 {0.472646105087 0.405846285972 0.570924377654} H21 4591 -1 1 {} H 0.0 {0.50483341376 0.428078076392 0.552464490843} H22 4592 -1 14 {} Si 0.0 {0.340187232496 0.660580688452 0.688818025761} Si1 4593 -1 8 {} O 0.0 {0.340780863196 0.665838605542 0.706428366764} O1 4594 -1 14 {} Si 0.0 {0.337776653652 0.683954924683 0.707286840366} Si2 4595 -1 8 {} O 0.0 {0.342642266714 0.690332579337 0.263703538775} O2 4596 -1 14 {} Si 0.0 {0.328720640998 0.688157659513 0.275546459235} Si3 4597 -1 7 {} N 0.0 {0.312730906476 0.693696675734 0.267771601799} N1 4598 -1 14 {} Si 0.0 {0.316393486491 0.707058001981 0.255354135994} Si4 4599 -1 14 {} Si 0.0 {0.302434755445 0.701464480718 0.281174902897} Si5 4600 -1 7 {} N 0.0 {0.321153238797 0.722696303124 0.264177850106} N2 4601 -1 7 {} N 0.0 {0.301093689007 0.710095724797 0.705394635108} N3 4602 -1 7 {} N 0.0 {0.330284419635 0.701821030673 0.704306409907} N4 4603 -1 7 {} N 0.0 {0.287008324789 0.691429875449 0.283675579108} N5 4604 -1 7 {} N 0.0 {0.312156650041 0.701972646222 0.297012040705} N6 4605 -1 7 {} N 0.0 {0.297824072284 0.718786346318 0.276194418947} N7 4606 -1 8 {} O 0.0 {0.354744137331 0.667441570104 0.679901420246} O3 4607 -1 6 {} C 0.0 {0.324430320933 0.667075702868 0.680943183421} C1 4608 -1 8 {} O 0.0 {0.340440913559 0.642219482289 0.687789968072} O4 4609 -1 7 {} N 0.0 {0.331963658245 0.69824305583 0.290816404637} N8 4610 -1 8 {} O 0.0 {0.327324868363 0.670381072076 0.280128878416} O5 4611 -1 1 {} H 0.0 {0.32390093675 0.686568462212 0.705060535372} H1 4612 -1 1 {} H 0.0 {0.345544299803 0.690507765832 0.697222006283} H2 4613 -1 1 {} H 0.0 {0.314146402864 0.270064337338 0.26129460484} H3 4614 -1 1 {} H 0.0 {0.330676630325 0.725712022494 0.260171064409} H4 4615 -1 1 {} H 0.0 {0.292813464058 0.709826615829 0.251981361891} H5 4616 -1 1 {} H 0.0 {0.299976056101 0.701637078187 0.698881855681} H6 4617 -1 1 {} H 0.0 {0.339351994352 0.705279381462 0.708701916148} H7 4618 -1 1 {} H 0.0 {0.329064215697 0.707298083524 0.695121110573} H8 4619 -1 1 {} H 0.0 {0.281217475284 0.696350513 0.291135099544} H9 4620 -1 1 {} H 0.0 {0.290101632046 0.682032210956 0.287897667261} H10 4621 -1 1 {} H 0.0 {0.312052741753 0.692140602006 0.301101278806} H11 4622 -1 1 {} H 0.0 {0.306616722197 0.708188256286 0.303831763493} H12 4623 -1 1 {} H 0.0 {0.304784882033 0.725376796488 0.280856053562} H13 4624 -1 1 {} H 0.0 {0.288235929123 0.720824430328 0.280633647891} H14 4625 -1 1 {} H 0.0 {0.351619133677 0.67151733898 0.670741407229} H15 4626 -1 1 {} H 0.0 {0.326065539901 0.677248656645 0.677453358018} H16 4627 -1 1 {} H 0.0 {0.316379568026 0.666998571008 0.6882992968} H17 4628 -1 1 {} H 0.0 {0.321712490769 0.660757641073 0.672526144581} H18 4629 -1 1 {} H 0.0 {0.336192385401 0.639184853337 0.678670060271} H19 4630 -1 1 {} H 0.0 {0.327214723794 0.70767983595 0.289430217495} H20 4631 -1 1 {} H 0.0 {0.34254471632 0.70015075784 0.2910593543} H21 4632 -1 1 {} H 0.0 {0.333985071669 0.668251175093 0.287946327231} H22 4633 -1 14 {} Si 0.0 {0.665894912901 0.516744504515 0.266991395438} Si1 4634 -1 8 {} O 0.0 {0.661106702456 0.500320639957 0.260053484031} O1 4635 -1 14 {} Si 0.0 {0.669765330457 0.496976655766 0.704210065655} Si2 4636 -1 8 {} O 0.0 {0.664095007398 0.480357753587 0.697932151047} O2 4637 -1 14 {} Si 0.0 {0.676883060371 0.471774937724 0.68732328967} Si3 4638 -1 7 {} N 0.0 {0.688143942451 0.461220135545 0.697965986482} N1 4639 -1 14 {} Si 0.0 {0.702996741873 0.47128030867 0.703430760312} Si4 4640 -1 14 {} Si 0.0 {0.694202052802 0.447455986256 0.686961179806} Si5 4641 -1 7 {} N 0.0 {0.69738242284 0.485690805831 0.253614142748} N2 4642 -1 7 {} N 0.0 {0.712378653891 0.477430162123 0.688597116367} N3 4643 -1 7 {} N 0.0 {0.714204105308 0.460622488024 0.253568698591} N4 4644 -1 7 {} N 0.0 {0.687957591987 0.450299645711 0.669744959654} N5 4645 -1 7 {} N 0.0 {0.712765097748 0.447141793268 0.686735780596} N6 4646 -1 7 {} N 0.0 {0.687695291231 0.431189028298 0.693174091891} N7 4647 -1 8 {} O 0.0 {0.656934773933 0.53013876106 0.258141361494} O3 4648 -1 6 {} C 0.0 {0.684354976339 0.519428173015 0.265339887566} C1 4649 -1 8 {} O 0.0 {0.661476945122 0.517147740881 0.284765864454} O4 4650 -1 7 {} N 0.0 {0.686810473575 0.48435799593 0.677382738374} N8 4651 -1 8 {} O 0.0 {0.66818943097 0.460637214434 0.675514996481} O5 4652 -1 1 {} H 0.0 {0.683927903352 0.496891446621 0.706383344655} H1 4653 -1 1 {} H 0.0 {0.666401995815 0.507113029427 0.694712488691} H2 4654 -1 1 {} H 0.0 {0.70515158124 0.487756326397 0.260603972322} H3 4655 -1 1 {} H 0.0 {0.689007686853 0.48226467819 0.259369195108} H4 4656 -1 1 {} H 0.0 {0.709732419861 0.471203655089 0.680378216007} H5 4657 -1 1 {} H 0.0 {0.722810847389 0.475599584658 0.690586652187} H6 4658 -1 1 {} H 0.0 {0.718617140676 0.466926791328 0.260959881171} H7 4659 -1 1 {} H 0.0 {0.722187943824 0.457424007701 0.707237844319} H8 4660 -1 1 {} H 0.0 {0.689602119305 0.441318976383 0.664253897064} H9 4661 -1 1 {} H 0.0 {0.694310263318 0.457791718367 0.665350710678} H10 4662 -1 1 {} H 0.0 {0.715959076556 0.45500740433 0.680294660039} H11 4663 -1 1 {} H 0.0 {0.715624197116 0.437928684157 0.681947911739} H12 4664 -1 1 {} H 0.0 {0.684540083587 0.425598045588 0.684658399667} H13 4665 -1 1 {} H 0.0 {0.678825624919 0.433380479481 0.698847214815} H14 4666 -1 1 {} H 0.0 {0.661356666849 0.539394134389 0.26044750125} H15 4667 -1 1 {} H 0.0 {0.686435096409 0.530125863865 0.265179808239} H16 4668 -1 1 {} H 0.0 {0.687913549401 0.514876657796 0.256116411775} H17 4669 -1 1 {} H 0.0 {0.689415385376 0.514902254839 0.273834286183} H18 4670 -1 1 {} H 0.0 {0.668559044146 0.511566062109 0.290173507259} H19 4671 -1 1 {} H 0.0 {0.692503999206 0.478895821299 0.670213582856} H20 4672 -1 1 {} H 0.0 {0.693952865924 0.488978735899 0.684082249352} H21 4673 -1 1 {} H 0.0 {0.658429123493 0.464123684232 0.673942013051} H22 4674 -1 14 {} Si 0.0 {0.708000615892 0.457845704134 0.434870398057} Si1 4675 -1 8 {} O 0.0 {0.722538609186 0.447023072267 0.437602984759} O1 4676 -1 14 {} Si 0.0 {0.722482635415 0.441403042011 0.455051696289} Si2 4677 -1 8 {} O 0.0 {0.711785960263 0.426548359988 0.456545328082} O2 4678 -1 14 {} Si 0.0 {0.721111118741 0.411993029622 0.450518182946} Si3 4679 -1 7 {} N 0.0 {0.72047962471 0.398518667852 0.463492712648} N1 4680 -1 14 {} Si 0.0 {0.712173137922 0.405958363453 0.478386585995} Si4 4681 -1 14 {} Si 0.0 {0.277791413368 0.394655200601 0.468426639277} Si5 4682 -1 7 {} N 0.0 {0.702027057266 0.393032452235 0.487077064999} N2 4683 -1 7 {} N 0.0 {0.701108049467 0.419826167818 0.472897277831} N3 4684 -1 7 {} N 0.0 {0.725076876575 0.412604518842 0.490023464475} N4 4685 -1 7 {} N 0.0 {0.277651253563 0.384818004469 0.484316342158} N5 4686 -1 7 {} N 0.0 {0.285840348352 0.384405051379 0.454961865662} N6 4687 -1 7 {} N 0.0 {0.286912208165 0.411039446084 0.470619277454} N7 4688 -1 8 {} O 0.0 {0.700976938073 0.462755068097 0.451144633348} O3 4689 -1 6 {} C 0.0 {0.694986050516 0.448541185453 0.425014057671} C1 4690 -1 8 {} O 0.0 {0.713205328949 0.472846412322 0.425612908432} O4 4691 -1 7 {} N 0.0 {0.278522818585 0.417246237744 0.447203404819} N8 4692 -1 8 {} O 0.0 {0.713565490073 0.405878139405 0.434916043636} O5 4693 -1 1 {} H 0.0 {0.717392935978 0.451828138905 0.46340101941} H1 4694 -1 1 {} H 0.0 {0.275689911312 0.438140568192 0.459050995154} H2 4695 -1 1 {} H 0.0 {0.702991327847 0.394781680178 0.497548487949} H3 4696 -1 1 {} H 0.0 {0.706731513464 0.38356892923 0.485107878258} H4 4697 -1 1 {} H 0.0 {0.698301095071 0.417810142216 0.462810728968} H5 4698 -1 1 {} H 0.0 {0.7071837032 0.428707895552 0.472673670592} H6 4699 -1 1 {} H 0.0 {0.728941191632 0.40434045717 0.495520627603} H7 4700 -1 1 {} H 0.0 {0.719917809784 0.418852168709 0.497106784917} H8 4701 -1 1 {} H 0.0 {0.281301965537 0.39109496538 0.492103800234} H9 4702 -1 1 {} H 0.0 {0.284846563848 0.376878550348 0.483089016858} H10 4703 -1 1 {} H 0.0 {0.287506664954 0.37468015423 0.458950640787} H11 4704 -1 1 {} H 0.0 {0.295512244999 0.388621840363 0.453134881124} H12 4705 -1 1 {} H 0.0 {0.296682072353 0.409073932698 0.474222841173} H13 4706 -1 1 {} H 0.0 {0.281788085957 0.416415200824 0.478408957175} H14 4707 -1 1 {} H 0.0 {0.697668816162 0.454176566416 0.456240525587} H15 4708 -1 1 {} H 0.0 {0.687413108645 0.444613321928 0.431803616277} H16 4709 -1 1 {} H 0.0 {0.699684385883 0.440297551816 0.419651172917} H17 4710 -1 1 {} H 0.0 {0.69030497935 0.455319788619 0.417883332196} H18 4711 -1 1 {} H 0.0 {0.714809806966 0.470338645054 0.41554730505} H19 4712 -1 1 {} H 0.0 {0.282864153404 0.409991250907 0.440779618596} H20 4713 -1 1 {} H 0.0 {0.28376680516 0.416692549533 0.456547799461} H21 4714 -1 1 {} H 0.0 {0.703123351414 0.406027900142 0.435811563729} H22 4715 -1 14 {} Si 0.0 {0.399906217867 0.716671691147 0.583468323413} Si1 4716 -1 8 {} O 0.0 {0.410887779386 0.267856182097 0.573739934678} O1 4717 -1 14 {} Si 0.0 {0.413954638651 0.720760883783 0.556978818983} Si2 4718 -1 8 {} O 0.0 {0.41409018981 0.274017906472 0.544101305353} O2 4719 -1 14 {} Si 0.0 {0.397023617144 0.27601728239 0.537456958794} Si3 4720 -1 7 {} N 0.0 {0.397126963198 0.282258681014 0.519748131379} N1 4721 -1 14 {} Si 0.0 {0.390969603368 0.268391675344 0.508971362699} Si4 4722 -1 14 {} Si 0.0 {0.414675375375 0.285968013344 0.514449770705} Si5 4723 -1 7 {} N 0.0 {0.381721590588 0.716247453206 0.519419013969} N2 4724 -1 7 {} N 0.0 {0.405373219885 0.720074646271 0.500791495973} N3 4725 -1 7 {} N 0.0 {0.379594934468 0.275224485522 0.495944528561} N4 4726 -1 7 {} N 0.0 {0.421735556174 0.299604316844 0.524890974108} N5 4727 -1 7 {} N 0.0 {0.425193293715 0.270770571239 0.516162951608} N6 4728 -1 7 {} N 0.0 {0.414543426306 0.291397269134 0.496624046365} N7 4729 -1 8 {} O 0.0 {0.387869322785 0.70861013989 0.572141315714} O3 4730 -1 6 {} C 0.0 {0.390544323111 0.726454379217 0.596567979952} C1 4731 -1 8 {} O 0.0 {0.410088810433 0.703778680156 0.591742844396} O4 4732 -1 7 {} N 0.0 {0.387749194854 0.288103659383 0.548047523459} N8 4733 -1 8 {} O 0.0 {0.388482085091 0.719868997775 0.538015184004} O5 4734 -1 1 {} H 0.0 {0.403580250506 0.711402849848 0.553941574555} H1 4735 -1 1 {} H 0.0 {0.426559774827 0.71401619099 0.556966732594} H2 4736 -1 1 {} H 0.0 {0.387545800169 0.707333706547 0.519718808585} H3 4737 -1 1 {} H 0.0 {0.372699045556 0.71383557557 0.514081059593} H4 4738 -1 1 {} H 0.0 {0.413966110289 0.7261208764 0.502495981985} H5 4739 -1 1 {} H 0.0 {0.403490699304 0.720337898827 0.490196175077} H6 4740 -1 1 {} H 0.0 {0.372213744279 0.281059159489 0.500940943434} H7 4741 -1 1 {} H 0.0 {0.374445098468 0.726945565764 0.491630220839} H8 4742 -1 1 {} H 0.0 {0.42222602364 0.30833099537 0.518762720672} H9 4743 -1 1 {} H 0.0 {0.431887637356 0.296845997825 0.527078542613} H10 4744 -1 1 {} H 0.0 {0.42694291935 0.269305071453 0.526555369616} H11 4745 -1 1 {} H 0.0 {0.434733272163 0.273130273828 0.511750640824} H12 4746 -1 1 {} H 0.0 {0.424577436868 0.290951629579 0.493089505345} H13 4747 -1 1 {} H 0.0 {0.41173442415 0.301798139892 0.49657664358} H14 4748 -1 1 {} H 0.0 {0.384457647023 0.699675105196 0.576468627019} H15 4749 -1 1 {} H 0.0 {0.380321975484 0.26805475606 0.593214662812} H16 4750 -1 1 {} H 0.0 {0.395473898281 0.275853094226 0.598204461552} H17 4751 -1 1 {} H 0.0 {0.390392113423 0.72080933113 0.605897151589} H18 4752 -1 1 {} H 0.0 {0.409741816996 0.705220795418 0.602157655695} H19 4753 -1 1 {} H 0.0 {0.378187970062 0.283849290892 0.550043669252} H20 4754 -1 1 {} H 0.0 {0.38602134802 0.296803020262 0.54196636408} H21 4755 -1 1 {} H 0.0 {0.379535440585 0.720811815557 0.543411257571} H22 4756 -1 14 {} Si 0.0 {0.510089248072 0.696010549217 0.586714168463} Si1 4757 -1 8 {} O 0.0 {0.522569403926 0.687593877965 0.576125588527} O1 4758 -1 14 {} Si 0.0 {0.539021536877 0.688199108408 0.584424391208} Si2 4759 -1 8 {} O 0.0 {0.550632490405 0.676059012608 0.576522172509} O2 4760 -1 14 {} Si 0.0 {0.552269436207 0.679616065374 0.55848003497} Si3 4761 -1 7 {} N 0.0 {0.536627397194 0.687372908925 0.55247144385} N1 4762 -1 14 {} Si 0.0 {0.537247467917 0.704662347363 0.558864420828} Si4 4763 -1 14 {} Si 0.0 {0.522780390466 0.678674784416 0.561201273676} Si5 4764 -1 7 {} N 0.0 {0.551795572366 0.705845046592 0.570525007} N2 4765 -1 7 {} N 0.0 {0.521453688567 0.708790486782 0.567888661836} N3 4766 -1 7 {} N 0.0 {0.539614904133 0.716482986096 0.544696632888} N4 4767 -1 7 {} N 0.0 {0.517088334254 0.664221261586 0.550938642883} N5 4768 -1 7 {} N 0.0 {0.528871828868 0.672524133833 0.577621071326} N6 4769 -1 7 {} N 0.0 {0.508655149578 0.690571721897 0.563868979261} N7 4770 -1 8 {} O 0.0 {0.50740741152 0.686157497569 0.602013878819} O3 4771 -1 6 {} C 0.0 {0.493806557925 0.697611193499 0.577370274313} C1 4772 -1 8 {} O 0.0 {0.516248978866 0.712739588136 0.591203269576} O4 4773 -1 7 {} N 0.0 {0.555435615348 0.663857236259 0.549211742646} N8 4774 -1 8 {} O 0.0 {0.566261215155 0.691274725518 0.555752748324} O5 4775 -1 1 {} H 0.0 {0.53744787668 0.684942437243 0.59825289233} H1 4776 -1 1 {} H 0.0 {0.544351021119 0.701348752122 0.58332308785} H2 4777 -1 1 {} H 0.0 {0.549963355325 0.713877803946 0.577291306282} H3 4778 -1 1 {} H 0.0 {0.560299044689 0.708662973606 0.564565657941} H4 4779 -1 1 {} H 0.0 {0.513603158568 0.708682970736 0.560714743146} H5 4780 -1 1 {} H 0.0 {0.522347725464 0.718979950673 0.571227968542} H6 4781 -1 1 {} H 0.0 {0.548766097374 0.713877989386 0.539905881964} H7 4782 -1 1 {} H 0.0 {0.541086728169 0.726230466849 0.549016588729} H8 4783 -1 1 {} H 0.0 {0.508928574736 0.659699656354 0.556086778415} H9 4784 -1 1 {} H 0.0 {0.525111942342 0.657039365102 0.551018813007} H10 4785 -1 1 {} H 0.0 {0.536489164905 0.66533389446 0.575677614795} H11 4786 -1 1 {} H 0.0 {0.520698506837 0.667220206251 0.582128577758} H12 4787 -1 1 {} H 0.0 {0.499790250388 0.684778086132 0.565250784502} H13 4788 -1 1 {} H 0.0 {0.507383105397 0.695975270021 0.554644168367} H14 4789 -1 1 {} H 0.0 {0.511749405066 0.676668985891 0.600855380191} H15 4790 -1 1 {} H 0.0 {0.488970537608 0.687853762077 0.576787494622} H16 4791 -1 1 {} H 0.0 {0.495723012323 0.701332461672 0.567306158354} H17 4792 -1 1 {} H 0.0 {0.487283287845 0.704578740465 0.582626566476} H18 4793 -1 1 {} H 0.0 {0.508596654835 0.719768349715 0.589770927159} H19 4794 -1 1 {} H 0.0 {0.560350308592 0.666481879488 0.540124055972} H20 4795 -1 1 {} H 0.0 {0.545825112372 0.65993404715 0.546468130605} H21 4796 -1 1 {} H 0.0 {0.571531503505 0.68845296617 0.547118806466} H22 4797 -1 14 {} Si 0.0 {0.477816083729 0.629450912094 0.516872464932} Si1 4798 -1 8 {} O 0.0 {0.486828720837 0.644196556395 0.522908400923} O1 4799 -1 14 {} Si 0.0 {0.475603138511 0.654045049412 0.533597800015} Si2 4800 -1 8 {} O 0.0 {0.477728910851 0.648767413133 0.551044207667} O2 4801 -1 14 {} Si 0.0 {0.461739354498 0.650469852214 0.559890706862} Si3 4802 -1 7 {} N 0.0 {0.464935159153 0.655961635576 0.577293750887} N1 4803 -1 14 {} Si 0.0 {0.476600401796 0.64361321994 0.584338519493} Si4 4804 -1 14 {} Si 0.0 {0.448961415276 0.654025786537 0.58651534601} Si5 4805 -1 7 {} N 0.0 {0.468340714595 0.635114129217 0.598634870317} N2 4806 -1 7 {} N 0.0 {0.492034947511 0.652221816834 0.590018075997} N3 4807 -1 7 {} N 0.0 {0.480884214313 0.63113336719 0.571222813245} N4 4808 -1 7 {} N 0.0 {0.448444824623 0.665908004195 0.601399310596} N5 4809 -1 7 {} N 0.0 {0.434883370643 0.658047652254 0.574742583682} N6 4810 -1 7 {} N 0.0 {0.44726653002 0.63650079783 0.592510104108} N7 4811 -1 8 {} O 0.0 {0.467735654652 0.622443654845 0.530575485338} O3 4812 -1 6 {} C 0.0 {0.490110546101 0.61658751859 0.510903903667} C1 4813 -1 8 {} O 0.0 {0.466801825143 0.634354246876 0.502999980997} O4 4814 -1 7 {} N 0.0 {0.453122502 0.634078147076 0.560345693336} N8 4815 -1 8 {} O 0.0 {0.451132602052 0.662733180828 0.551195242707} O5 4816 -1 1 {} H 0.0 {0.462066079923 0.651849562535 0.529570486683} H1 4817 -1 1 {} H 0.0 {0.478749124708 0.667935206853 0.532364927755} H2 4818 -1 1 {} H 0.0 {0.475898542099 0.632677126727 0.605641114365} H3 4819 -1 1 {} H 0.0 {0.464465195309 0.625780851062 0.5948712607} H4 4820 -1 1 {} H 0.0 {0.490060807521 0.662685541076 0.58982744324} H5 4821 -1 1 {} H 0.0 {0.499525461611 0.650376337592 0.582527340019} H6 4822 -1 1 {} H 0.0 {0.481482703879 0.621624085873 0.575959216815} H7 4823 -1 1 {} H 0.0 {0.49081205226 0.633509447103 0.567830580872} H8 4824 -1 1 {} H 0.0 {0.438792432879 0.670417236569 0.60163161751} H9 4825 -1 1 {} H 0.0 {0.455382041851 0.673935933598 0.599444285711} H10 4826 -1 1 {} H 0.0 {0.4375019894 0.654109566923 0.565212365591} H11 4827 -1 1 {} H 0.0 {0.434649460503 0.66876779457 0.573675137279} H12 4828 -1 1 {} H 0.0 {0.437157755475 0.633555404764 0.590855956747} H13 4829 -1 1 {} H 0.0 {0.448673968243 0.636742684141 0.60317737092} H14 4830 -1 1 {} H 0.0 {0.473120898494 0.614759754517 0.535287867364} H15 4831 -1 1 {} H 0.0 {0.49570166745 0.612681742096 0.519407863824} H16 4832 -1 1 {} H 0.0 {0.497007534804 0.621168139851 0.503815350964} H17 4833 -1 1 {} H 0.0 {0.48475828986 0.608449203393 0.506026170047} H18 4834 -1 1 {} H 0.0 {0.471706239172 0.641460969563 0.497013916236} H19 4835 -1 1 {} H 0.0 {0.443711901474 0.635664301254 0.565072838949} H20 4836 -1 1 {} H 0.0 {0.45884065117 0.627784979731 0.566960547719} H21 4837 -1 1 {} H 0.0 {0.448296265173 0.658875239961 0.541848215695} H22 4838 -1 14 {} Si 0.0 {0.328801921107 0.433976222743 0.690502628722} Si1 4839 -1 8 {} O 0.0 {0.339880082657 0.43530261512 0.674834717831} O1 4840 -1 14 {} Si 0.0 {0.344713809038 0.453011349219 0.670235150116} Si2 4841 -1 8 {} O 0.0 {0.345710282324 0.454141468677 0.651637768307} O2 4842 -1 14 {} Si 0.0 {0.353870072584 0.438763296748 0.645693397479} Si3 4843 -1 7 {} N 0.0 {0.34150277383 0.427037099243 0.637652808018} N1 4844 -1 14 {} Si 0.0 {0.351420063978 0.416260858747 0.625157147936} Si4 4845 -1 14 {} Si 0.0 {0.329382998957 0.437230076889 0.627852006736} Si5 4846 -1 7 {} N 0.0 {0.364251920093 0.4267292111 0.616719018335} N2 4847 -1 7 {} N 0.0 {0.339701127649 0.409468714329 0.612493769575} N3 4848 -1 7 {} N 0.0 {0.360380714272 0.402137603991 0.63374117926} N4 4849 -1 7 {} N 0.0 {0.336457277369 0.440349762844 0.611083051153} N5 4850 -1 7 {} N 0.0 {0.313501097539 0.427762937993 0.626214425854} N6 4851 -1 7 {} N 0.0 {0.326028353087 0.453627349473 0.636299713524} N7 4852 -1 8 {} O 0.0 {0.325771688148 0.416698757624 0.682942090429} O3 4853 -1 6 {} C 0.0 {0.30883226891 0.432526457554 0.691816139859} C1 4854 -1 8 {} O 0.0 {0.323549309827 0.451429857728 0.686074279661} O4 4855 -1 7 {} N 0.0 {0.360693438988 0.430824018839 0.660415871787} N8 4856 -1 8 {} O 0.0 {0.367744060667 0.442563978039 0.633977401253} O5 4857 -1 1 {} H 0.0 {0.357440463317 0.4561358478 0.675979926687} H1 4858 -1 1 {} H 0.0 {0.334871864479 0.462246635634 0.675123002031} H2 4859 -1 1 {} H 0.0 {0.362091709963 0.426599254893 0.606313202149} H3 4860 -1 1 {} H 0.0 {0.373677088728 0.421594192025 0.617955824059} H4 4861 -1 1 {} H 0.0 {0.330106464631 0.408875462172 0.617099021682} H5 4862 -1 1 {} H 0.0 {0.342790072425 0.399374300288 0.610537735796} H6 4863 -1 1 {} H 0.0 {0.370758957737 0.404441565562 0.633716195233} H7 4864 -1 1 {} H 0.0 {0.359141485027 0.393442824756 0.627492766986} H8 4865 -1 1 {} H 0.0 {0.34102880942 0.449960572595 0.611388035634} H9 4866 -1 1 {} H 0.0 {0.32812326316 0.441084124123 0.604324163681} H10 4867 -1 1 {} H 0.0 {0.312224469273 0.425510680169 0.615895871777} H11 4868 -1 1 {} H 0.0 {0.305585148632 0.434525319136 0.628890484043} H12 4869 -1 1 {} H 0.0 {0.323232047911 0.451618246126 0.646372054083} H13 4870 -1 1 {} H 0.0 {0.317338168208 0.457837476054 0.631506793103} H14 4871 -1 1 {} H 0.0 {0.323471057336 0.417308541634 0.672942742694} H15 4872 -1 1 {} H 0.0 {0.305699169925 0.422821099974 0.696083461835} H16 4873 -1 1 {} H 0.0 {0.304310489561 0.433450475843 0.682012672341} H17 4874 -1 1 {} H 0.0 {0.305043862537 0.440517457677 0.698237072656} H18 4875 -1 1 {} H 0.0 {0.319551036026 0.451800560936 0.676224086031} H19 4876 -1 1 {} H 0.0 {0.359868386896 0.420345703396 0.659003839281} H20 4877 -1 1 {} H 0.0 {0.354056354075 0.433481304736 0.668355074875} H21 4878 -1 1 {} H 0.0 {0.376861130684 0.442621037894 0.639244784086} H22 4879 -1 14 {} Si 0.0 {0.612251431226 0.299874381068 0.300160410446} Si1 4880 -1 8 {} O 0.0 {0.615315583146 0.311764711885 0.286184315438} O1 4881 -1 14 {} Si 0.0 {0.61867945785 0.328841825116 0.292641350226} Si2 4882 -1 8 {} O 0.0 {0.602744780946 0.337391174852 0.296939894047} O2 4883 -1 14 {} Si 0.0 {0.604311411236 0.345381098376 0.313540108895} Si3 4884 -1 7 {} N 0.0 {0.58750474508 0.348713530551 0.320801013979} N1 4885 -1 14 {} Si 0.0 {0.577145192555 0.357282112633 0.30789613276} Si4 4886 -1 14 {} Si 0.0 {0.590234806654 0.360859927212 0.334510719219} Si5 4887 -1 7 {} N 0.0 {0.58724550981 0.360064739319 0.292557016085} N2 4888 -1 7 {} N 0.0 {0.571376889499 0.373663489337 0.314573834815} N3 4889 -1 7 {} N 0.0 {0.562353031649 0.34676383887 0.303788989624} N4 4890 -1 7 {} N 0.0 {0.608288321198 0.360973763539 0.338924707923} N5 4891 -1 7 {} N 0.0 {0.58513195258 0.377816658689 0.328851768309} N6 4892 -1 7 {} N 0.0 {0.580237287769 0.355938727911 0.349356178355} N7 4893 -1 8 {} O 0.0 {0.600527397257 0.307538646086 0.312186441696} O3 4894 -1 6 {} C 0.0 {0.628675537052 0.295392710976 0.308993373315} C1 4895 -1 8 {} O 0.0 {0.604687550749 0.28450493756 0.293425998449} O4 4896 -1 7 {} N 0.0 {0.613546315717 0.361446093754 0.311983057749} N8 4897 -1 8 {} O 0.0 {0.613606386193 0.33416356274 0.324822838676} O5 4898 -1 1 {} H 0.0 {0.625438749638 0.336457979346 0.282624830532} H1 4899 -1 1 {} H 0.0 {0.626980633796 0.327948762461 0.304264099154} H2 4900 -1 1 {} H 0.0 {0.587438657817 0.370572534545 0.290778807996} H3 4901 -1 1 {} H 0.0 {0.581743386591 0.355686303797 0.284412884234} H4 4902 -1 1 {} H 0.0 {0.560875295737 0.372889432966 0.316223258018} H5 4903 -1 1 {} H 0.0 {0.572717775309 0.380859496143 0.306693188802} H6 4904 -1 1 {} H 0.0 {0.561723648931 0.346199013597 0.29316752454} H7 4905 -1 1 {} H 0.0 {0.553673680282 0.352222574312 0.307082740325} H8 4906 -1 1 {} H 0.0 {0.609911409861 0.352993976247 0.345792674508} H9 4907 -1 1 {} H 0.0 {0.610092751735 0.370085508865 0.34432357383} H10 4908 -1 1 {} H 0.0 {0.593762085513 0.382482380361 0.324687390784} H11 4909 -1 1 {} H 0.0 {0.582607937768 0.383389718464 0.33769080965} H12 4910 -1 1 {} H 0.0 {0.583284642963 0.362205449433 0.357421861069} H13 4911 -1 1 {} H 0.0 {0.583269805061 0.345951887379 0.351922365992} H14 4912 -1 1 {} H 0.0 {0.605505443166 0.309521385915 0.321212391423} H15 4913 -1 1 {} H 0.0 {0.627570488712 0.296803777619 0.319776426903} H16 4914 -1 1 {} H 0.0 {0.636753678966 0.301758648755 0.305392113111} H17 4915 -1 1 {} H 0.0 {0.631121245798 0.284968991232 0.306984764172} H18 4916 -1 1 {} H 0.0 {0.605011287893 0.276964448924 0.300734397799} H19 4917 -1 1 {} H 0.0 {0.608194462635 0.368716538909 0.317669051131} H20 4918 -1 1 {} H 0.0 {0.612809741428 0.364460760231 0.301699010058} H21 4919 -1 1 {} H 0.0 {0.619969456727 0.339837766323 0.330925321737} H22 4920 -1 14 {} Si 0.0 {0.361264644405 0.612906919998 0.344404676519} Si1 4921 -1 8 {} O 0.0 {0.37708917032 0.603351444948 0.343771022689} O1 4922 -1 14 {} Si 0.0 {0.376015814717 0.58776727299 0.353494795733} Si2 4923 -1 8 {} O 0.0 {0.389245753058 0.576173159764 0.347731034385} O2 4924 -1 14 {} Si 0.0 {0.392658097636 0.578612965011 0.329665339851} Si3 4925 -1 7 {} N 0.0 {0.380177447396 0.569035106667 0.319644058888} N1 4926 -1 14 {} Si 0.0 {0.379335925094 0.576985078944 0.302977051005} Si4 4927 -1 14 {} Si 0.0 {0.363719394435 0.572017942528 0.327464758169} Si5 4928 -1 7 {} N 0.0 {0.361684809045 0.58152004906 0.299308042923} N2 4929 -1 7 {} N 0.0 {0.385562052168 0.565230726332 0.289729321677} N3 4930 -1 7 {} N 0.0 {0.389750079043 0.592397229955 0.302881599374} N4 4931 -1 7 {} N 0.0 {0.365013428948 0.587033887027 0.338013578221} N5 4932 -1 7 {} N 0.0 {0.350973873822 0.574926427065 0.314175786496} N6 4933 -1 7 {} N 0.0 {0.358954583978 0.557397079243 0.33788164414} N7 4934 -1 8 {} O 0.0 {0.349016866734 0.604427331078 0.355255529784} O3 4935 -1 6 {} C 0.0 {0.354110206347 0.614415574888 0.327011655948} C1 4936 -1 8 {} O 0.0 {0.365046362816 0.629688946724 0.35110652357} O4 4937 -1 7 {} N 0.0 {0.409819523526 0.57265772484 0.325721120128} N8 4938 -1 8 {} O 0.0 {0.391475851417 0.596389183096 0.325342251804} O5 4939 -1 1 {} H 0.0 {0.363166078824 0.581720560696 0.351704477056} H1 4940 -1 1 {} H 0.0 {0.377968701227 0.590661060304 0.367364266097} H2 4941 -1 1 {} H 0.0 {0.359517663654 0.578052732012 0.289490124446} H3 4942 -1 1 {} H 0.0 {0.361266117973 0.59226247779 0.298920911094} H4 4943 -1 1 {} H 0.0 {0.388742024922 0.556275263453 0.294471998564} H5 4944 -1 1 {} H 0.0 {0.394352960833 0.569742418235 0.285459087095} H6 4945 -1 1 {} H 0.0 {0.384495507256 0.599722038533 0.297179226622} H7 4946 -1 1 {} H 0.0 {0.39867811172 0.590051326219 0.297351576242} H8 4947 -1 1 {} H 0.0 {0.356496736243 0.593084299909 0.335989480107} H9 4948 -1 1 {} H 0.0 {0.373570149777 0.592412252508 0.334437227612} H10 4949 -1 1 {} H 0.0 {0.349895168974 0.58547686786 0.31313061491} H11 4950 -1 1 {} H 0.0 {0.341572583977 0.571251675172 0.317977160481} H12 4951 -1 1 {} H 0.0 {0.349508346545 0.55958435831 0.342251433509} H13 4952 -1 1 {} H 0.0 {0.366047098025 0.55694181948 0.345971551676} H14 4953 -1 1 {} H 0.0 {0.339308979862 0.606205276506 0.351610061538} H15 4954 -1 1 {} H 0.0 {0.351432504795 0.60453108454 0.323326869369} H16 4955 -1 1 {} H 0.0 {0.361460864962 0.618790737557 0.320474153167} H17 4956 -1 1 {} H 0.0 {0.345269496991 0.620718755831 0.3272050581} H18 4957 -1 1 {} H 0.0 {0.370480782323 0.628749045696 0.360047353103} H19 4958 -1 1 {} H 0.0 {0.412335154495 0.576479818323 0.316084988002} H20 4959 -1 1 {} H 0.0 {0.409240549982 0.561980536443 0.324728545804} H21 4960 -1 1 {} H 0.0 {0.400124908698 0.601380321103 0.328578973826} H22 4961 -1 14 {} Si 0.0 {0.611879021204 0.429715366118 0.439401797367} Si1 4962 -1 8 {} O 0.0 {0.598325960389 0.421394749696 0.429463115486} O1 4963 -1 14 {} Si 0.0 {0.586571984693 0.43340128922 0.420511499376} Si2 4964 -1 8 {} O 0.0 {0.571530325284 0.435158665462 0.430103237917} O2 4965 -1 14 {} Si 0.0 {0.557616422723 0.435489231666 0.418409301022} Si3 4966 -1 7 {} N 0.0 {0.556792973577 0.452075802471 0.410149264961} N1 4967 -1 14 {} Si 0.0 {0.551676178338 0.464583119151 0.423043041554} Si4 4968 -1 14 {} Si 0.0 {0.542939297411 0.450707415185 0.39792756827} Si5 4969 -1 7 {} N 0.0 {0.543793476124 0.479121399407 0.41461919993} N2 4970 -1 7 {} N 0.0 {0.566492328936 0.470625589902 0.432757505509} N3 4971 -1 7 {} N 0.0 {0.539450411892 0.456719692533 0.434575024917} N4 4972 -1 7 {} N 0.0 {0.541550015187 0.466324460699 0.387986273278} N5 4973 -1 7 {} N 0.0 {0.546284665409 0.436375659792 0.386611643155} N6 4974 -1 7 {} N 0.0 {0.527063770118 0.447671582262 0.407113778812} N7 4975 -1 8 {} O 0.0 {0.628201498711 0.427078662565 0.431282998674} O3 4976 -1 6 {} C 0.0 {0.612738854001 0.421846585768 0.456429372456} C1 4977 -1 8 {} O 0.0 {0.608745753251 0.447752790891 0.441173178997} O4 4978 -1 7 {} N 0.0 {0.541735080255 0.432188759449 0.427411640681} N8 4979 -1 8 {} O 0.0 {0.56022322293 0.422547569403 0.405610212501} O5 4980 -1 1 {} H 0.0 {0.583192771819 0.42790982413 0.407732686223} H1 4981 -1 1 {} H 0.0 {0.592617722827 0.446017554979 0.418383140766} H2 4982 -1 1 {} H 0.0 {0.550323578813 0.487454090893 0.415979756187} H3 4983 -1 1 {} H 0.0 {0.534822229828 0.481350147452 0.420086388437} H4 4984 -1 1 {} H 0.0 {0.572502896515 0.462210981226 0.43520799033} H5 4985 -1 1 {} H 0.0 {0.562724350057 0.47449947799 0.442046421105} H6 4986 -1 1 {} H 0.0 {0.529804151396 0.460319389704 0.431867758773} H7 4987 -1 1 {} H 0.0 {0.541532890538 0.460586060551 0.4443798881} H8 4988 -1 1 {} H 0.0 {0.532038495636 0.466135293069 0.383169874409} H9 4989 -1 1 {} H 0.0 {0.548931313141 0.465676924461 0.380188991667} H10 4990 -1 1 {} H 0.0 {0.54508767949 0.439863265778 0.376628498302} H11 4991 -1 1 {} H 0.0 {0.538438713079 0.42921012545 0.388340845755} H12 4992 -1 1 {} H 0.0 {0.522618106365 0.438931319667 0.402942672714} H13 4993 -1 1 {} H 0.0 {0.520519421594 0.455860849745 0.404768743049} H14 4994 -1 1 {} H 0.0 {0.632137865591 0.417795708602 0.434267114202} H15 4995 -1 1 {} H 0.0 {0.612639427717 0.410980920892 0.455410904123} H16 4996 -1 1 {} H 0.0 {0.604213531249 0.425023960225 0.46236052848} H17 4997 -1 1 {} H 0.0 {0.621968078257 0.424928069042 0.461369758954} H18 4998 -1 1 {} H 0.0 {0.606440248087 0.449909844002 0.451171858799} H19 4999 -1 1 {} H 0.0 {0.533798275042 0.435312528999 0.421029332425} H20 5000 -1 1 {} H 0.0 {0.5415957968 0.438758838732 0.435912691739} H21 5001 -1 1 {} H 0.0 {0.570270000293 0.41948218783 0.405730261805} H22 5002 -1 14 {} Si 0.0 {0.499670007071 0.609461911586 0.414048648301} Si1 5003 -1 8 {} O 0.0 {0.514689424158 0.614078837861 0.40456284969} O1 5004 -1 14 {} Si 0.0 {0.514469133863 0.632099534857 0.401322012067} Si2 5005 -1 8 {} O 0.0 {0.501606749881 0.635722535442 0.388702595789} O2 5006 -1 14 {} Si 0.0 {0.489654148049 0.64797313528 0.395385777444} Si3 5007 -1 7 {} N 0.0 {0.493729392368 0.664662141391 0.388397701932} N1 5008 -1 14 {} Si 0.0 {0.510321224543 0.662984216969 0.380331826692} Si4 5009 -1 14 {} Si 0.0 {0.495822316013 0.676288791293 0.402661963455} Si5 5010 -1 7 {} N 0.0 {0.520997862779 0.651847400301 0.390690483417} N2 5011 -1 7 {} N 0.0 {0.518310065558 0.679700141357 0.378918616756} N3 5012 -1 7 {} N 0.0 {0.508231024248 0.655589021596 0.363419037051} N4 5013 -1 7 {} N 0.0 {0.479076490053 0.681004555298 0.409257788083} N5 5014 -1 7 {} N 0.0 {0.50564844023 0.667884405458 0.416012466762} N6 5015 -1 7 {} N 0.0 {0.504878412172 0.691515093211 0.396880677645} N7 5016 -1 8 {} O 0.0 {0.50231327498 0.613217088773 0.431859824685} O3 5017 -1 6 {} C 0.0 {0.496349425717 0.591094392642 0.411910275849} C1 5018 -1 8 {} O 0.0 {0.485281682967 0.619078955955 0.407807313607} O4 5019 -1 7 {} N 0.0 {0.490849957046 0.648389770631 0.413943289648} N8 5020 -1 8 {} O 0.0 {0.472608632281 0.64321953342 0.390439575818} O5 5021 -1 1 {} H 0.0 {0.527275796208 0.636243436868 0.39648638916} H1 5022 -1 1 {} H 0.0 {0.511455558396 0.639075489374 0.413420514915} H2 5023 -1 1 {} H 0.0 {0.526685050652 0.658072248583 0.39720162086} H3 5024 -1 1 {} H 0.0 {0.528004435219 0.647193291241 0.383997432405} H4 5025 -1 1 {} H 0.0 {0.511282598126 0.686171737386 0.374210191655} H5 5026 -1 1 {} H 0.0 {0.526538192783 0.678610138357 0.372074812461} H6 5027 -1 1 {} H 0.0 {0.512706549669 0.645921329423 0.363630152632} H7 5028 -1 1 {} H 0.0 {0.514132456251 0.661551583031 0.356697033149} H8 5029 -1 1 {} H 0.0 {0.480610871594 0.688085953039 0.417060123903} H9 5030 -1 1 {} H 0.0 {0.47499345596 0.672179823038 0.413883056309} H10 5031 -1 1 {} H 0.0 {0.498693145875 0.66339763342 0.422687642188} H11 5032 -1 1 {} H 0.0 {0.510611903083 0.675630089523 0.421537077388} H12 5033 -1 1 {} H 0.0 {0.508135901644 0.696763806253 0.40555126941} H13 5034 -1 1 {} H 0.0 {0.497602153257 0.697803260715 0.392029171403} H14 5035 -1 1 {} H 0.0 {0.493121858936 0.61560208527 0.436321036822} H15 5036 -1 1 {} H 0.0 {0.501705043551 0.585507196703 0.419583751971} H16 5037 -1 1 {} H 0.0 {0.499759569239 0.587914160951 0.402054268465} H17 5038 -1 1 {} H 0.0 {0.485665486711 0.58920626118 0.41284109285} H18 5039 -1 1 {} H 0.0 {0.476388559631 0.614546510855 0.411054365971} H19 5040 -1 1 {} H 0.0 {0.485517784471 0.656992465297 0.417269697379} H20 5041 -1 1 {} H 0.0 {0.501196226892 0.650070452267 0.416332516817} H21 5042 -1 1 {} H 0.0 {0.473078182922 0.636435232839 0.382448583335} H22 5043 -1 14 {} Si 0.0 {0.417319184095 0.368418301554 0.473906018156} Si1 5044 -1 8 {} O 0.0 {0.40467753925 0.356714233471 0.480203114332} O1 5045 -1 14 {} Si 0.0 {0.392834398031 0.365980823682 0.490740555553} Si2 5046 -1 8 {} O 0.0 {0.386464202775 0.380503161976 0.481385274127} O2 5047 -1 14 {} Si 0.0 {0.39568420558 0.395542453864 0.48660447277} Si3 5048 -1 7 {} N 0.0 {0.394289582167 0.397415899715 0.505071885768} N1 5049 -1 14 {} Si 0.0 {0.37641653598 0.393858032403 0.509593846206} Si4 5050 -1 14 {} Si 0.0 {0.398280789415 0.415255538928 0.5090081984} Si5 5051 -1 7 {} N 0.0 {0.372149088137 0.401235120814 0.526107022342} N2 5052 -1 7 {} N 0.0 {0.373905336364 0.375461224567 0.510310751336} N3 5053 -1 7 {} N 0.0 {0.365184455418 0.400904944218 0.49669756339} N4 5054 -1 7 {} N 0.0 {0.384416623289 0.426198650045 0.503464475051} N5 5055 -1 7 {} N 0.0 {0.400879269137 0.417320144474 0.527267697498} N6 5056 -1 7 {} N 0.0 {0.413883895619 0.42008727436 0.500097571494} N7 5057 -1 8 {} O 0.0 {0.422832394354 0.379265219351 0.487660482098} O3 5058 -1 6 {} C 0.0 {0.409804206546 0.378951891368 0.460275642883} C1 5059 -1 8 {} O 0.0 {0.431702878953 0.359050425314 0.46728365468} O4 5060 -1 7 {} N 0.0 {0.388580958167 0.410527417009 0.478112212222} N8 5061 -1 8 {} O 0.0 {0.413359775064 0.393830176706 0.481917771218} O5 5062 -1 1 {} H 0.0 {0.399523331853 0.370508769969 0.502547890514} H1 5063 -1 1 {} H 0.0 {0.381959217806 0.35745044948 0.494382631655} H2 5064 -1 1 {} H 0.0 {0.372015738189 0.393261804715 0.53317463774} H3 5065 -1 1 {} H 0.0 {0.362011394516 0.404805145991 0.525345401686} H4 5066 -1 1 {} H 0.0 {0.38346041187 0.370926060744 0.509085867083} H5 5067 -1 1 {} H 0.0 {0.368119355596 0.372803080163 0.501629108034} H6 5068 -1 1 {} H 0.0 {0.359079214265 0.408202635034 0.50147078293} H7 5069 -1 1 {} H 0.0 {0.358624842618 0.392942766546 0.49363222444} H8 5070 -1 1 {} H 0.0 {0.382442285105 0.43305629336 0.511392242292} H9 5071 -1 1 {} H 0.0 {0.375756453489 0.419948119697 0.502594351684} H10 5072 -1 1 {} H 0.0 {0.391488977578 0.419877356873 0.531502420708} H11 5073 -1 1 {} H 0.0 {0.407230711088 0.42592394932 0.528504077924} H12 5074 -1 1 {} H 0.0 {0.419851220008 0.425651012924 0.506958570654} H13 5075 -1 1 {} H 0.0 {0.411008064829 0.426914838874 0.492303378756} H14 5076 -1 1 {} H 0.0 {0.414856313504 0.380732063067 0.494348023668} H15 5077 -1 1 {} H 0.0 {0.400818430058 0.383859697962 0.464026820971} H16 5078 -1 1 {} H 0.0 {0.407213327885 0.372614583151 0.451801789978} H17 5079 -1 1 {} H 0.0 {0.417011311916 0.38648802298 0.457115160775} H18 5080 -1 1 {} H 0.0 {0.433218706033 0.361640404283 0.457223116676} H19 5081 -1 1 {} H 0.0 {0.386707681618 0.417874572853 0.485614461669} H20 5082 -1 1 {} H 0.0 {0.378993887679 0.407603495877 0.474167155807} H21 5083 -1 1 {} H 0.0 {0.414491422022 0.396153718811 0.471738628103} H22 5084 -1 14 {} Si 0.0 {0.407339366194 0.654920663286 0.603756942346} Si1 5085 -1 8 {} O 0.0 {0.391604520364 0.651473892827 0.612791601462} O1 5086 -1 14 {} Si 0.0 {0.388767797394 0.664318596378 0.625732455933} Si2 5087 -1 8 {} O 0.0 {0.390919059471 0.681048227161 0.618368423914} O2 5088 -1 14 {} Si 0.0 {0.376703581166 0.69193597247 0.622962160791} Si3 5089 -1 7 {} N 0.0 {0.362360241882 0.688824734159 0.611466790074} N1 5090 -1 14 {} Si 0.0 {0.356032952413 0.705464784868 0.606163358595} Si4 5091 -1 14 {} Si 0.0 {0.348584462323 0.681029520789 0.62125297383} Si5 5092 -1 7 {} N 0.0 {0.357627977997 0.71744257268 0.620303040028} N2 5093 -1 7 {} N 0.0 {0.338136541621 0.70395480633 0.601375590353} N3 5094 -1 7 {} N 0.0 {0.365865415223 0.711618157116 0.591660133493} N4 5095 -1 7 {} N 0.0 {0.352514856118 0.66322784036 0.624867657125} N5 5096 -1 7 {} N 0.0 {0.346260898516 0.690278540538 0.6372012579} N6 5097 -1 7 {} N 0.0 {0.332931506749 0.681958259773 0.611302068797} N7 5098 -1 8 {} O 0.0 {0.421576232532 0.648645893363 0.613577455941} O3 5099 -1 6 {} C 0.0 {0.409222357909 0.673464232196 0.601086901932} C1 5100 -1 8 {} O 0.0 {0.40698892596 0.646385361926 0.587447797573} O4 5101 -1 7 {} N 0.0 {0.381937859009 0.709681054756 0.621304951519} N8 5102 -1 8 {} O 0.0 {0.371592988231 0.688663529676 0.640350672628} O5 5103 -1 1 {} H 0.0 {0.398167338188 0.662526891854 0.636373257147} H1 5104 -1 1 {} H 0.0 {0.375489816633 0.663045152772 0.630859151121} H2 5105 -1 1 {} H 0.0 {0.348316739636 0.722547028876 0.62118254728} H3 5106 -1 1 {} H 0.0 {0.364881473812 0.7248000738 0.617318888138} H4 5107 -1 1 {} H 0.0 {0.337371430161 0.695824114945 0.594534285083} H5 5108 -1 1 {} H 0.0 {0.335655318897 0.712844845291 0.595863090703} H6 5109 -1 1 {} H 0.0 {0.376165917355 0.71056574997 0.594155752573} H7 5110 -1 1 {} H 0.0 {0.363954982439 0.72218435312 0.590916352029} H8 5111 -1 1 {} H 0.0 {0.343349247223 0.65848185105 0.627600500369} H9 5112 -1 1 {} H 0.0 {0.358712864812 0.663158831923 0.633643920832} H10 5113 -1 1 {} H 0.0 {0.352970735322 0.69854768907 0.637062928753} H11 5114 -1 1 {} H 0.0 {0.349596275239 0.683751073408 0.645067454954} H12 5115 -1 1 {} H 0.0 {0.32841227888 0.691381472684 0.613389510541} H13 5116 -1 1 {} H 0.0 {0.326345846278 0.674465219266 0.615248619746} H14 5117 -1 1 {} H 0.0 {0.423070264152 0.654846348808 0.621896375478} H15 5118 -1 1 {} H 0.0 {0.418300480163 0.675431840724 0.595391807905} H16 5119 -1 1 {} H 0.0 {0.40985156218 0.678479785778 0.610732379204} H17 5120 -1 1 {} H 0.0 {0.400608491003 0.677233953753 0.595582834623} H18 5121 -1 1 {} H 0.0 {0.404186275952 0.653216509109 0.579988181607} H19 5122 -1 1 {} H 0.0 {0.376843501956 0.713672525543 0.612830735936} H20 5123 -1 1 {} H 0.0 {0.392405057353 0.709582347541 0.618805557313} H21 5124 -1 1 {} H 0.0 {0.374775848601 0.679089467318 0.64319529672} H22 5125 -1 14 {} Si 0.0 {0.52407056366 0.342397504352 0.58598177387} Si1 5126 -1 8 {} O 0.0 {0.510840412123 0.331769637287 0.57873935357} O1 5127 -1 14 {} Si 0.0 {0.517416326591 0.322540052507 0.564184991222} Si2 5128 -1 8 {} O 0.0 {0.528883082369 0.309388234572 0.569898896207} O2 5129 -1 14 {} Si 0.0 {0.528700753165 0.29526790773 0.557967865462} Si3 5130 -1 7 {} N 0.0 {0.521900569568 0.300732791741 0.541617744297} N1 5131 -1 14 {} Si 0.0 {0.520058099348 0.285341906308 0.531334522397} Si4 5132 -1 14 {} Si 0.0 {0.534885634171 0.311329938857 0.533389015888} Si5 5133 -1 7 {} N 0.0 {0.511016585681 0.272408975773 0.541179700074} N2 5134 -1 7 {} N 0.0 {0.536892679929 0.278888401228 0.526740043602} N3 5135 -1 7 {} N 0.0 {0.510478863542 0.289264236034 0.515913507646} N4 5136 -1 7 {} N 0.0 {0.550151087371 0.312006047224 0.544000734651} N5 5137 -1 7 {} N 0.0 {0.539219352424 0.304072314646 0.516831306807} N6 5138 -1 7 {} N 0.0 {0.528260637084 0.328531208094 0.531026289547} N7 5139 -1 8 {} O 0.0 {0.517282385267 0.351587788429 0.600422025886} O3 5140 -1 6 {} C 0.0 {0.530125736909 0.354667589349 0.573085681851} C1 5141 -1 8 {} O 0.0 {0.538117596941 0.33186911578 0.591485761534} O4 5142 -1 7 {} N 0.0 {0.518067537255 0.281568720994 0.564830054814} N8 5143 -1 8 {} O 0.0 {0.545902327994 0.28901117943 0.555459535836} O5 5144 -1 1 {} H 0.0 {0.524430168946 0.331539070523 0.555586607899} H1 5145 -1 1 {} H 0.0 {0.506561324693 0.316586315637 0.557035755041} H2 5146 -1 1 {} H 0.0 {0.51219025134 0.723270808422 0.536059258518} H3 5147 -1 1 {} H 0.0 {0.500563206771 0.274890325762 0.540681364917} H4 5148 -1 1 {} H 0.0 {0.543898731022 0.286681942387 0.528640923283} H5 5149 -1 1 {} H 0.0 {0.536816300941 0.277361549763 0.51609040977} H6 5150 -1 1 {} H 0.0 {0.500258329669 0.290295291165 0.518728877374} H7 5151 -1 1 {} H 0.0 {0.511062544469 0.280553684231 0.509626228417} H8 5152 -1 1 {} H 0.0 {0.551054347752 0.321997711192 0.547604857052} H9 5153 -1 1 {} H 0.0 {0.558537126598 0.310352371473 0.537446826306} H10 5154 -1 1 {} H 0.0 {0.53255184802 0.295950452533 0.51510096925} H11 5155 -1 1 {} H 0.0 {0.549054494105 0.299810550314 0.51780790098} H12 5156 -1 1 {} H 0.0 {0.534495242287 0.335110242725 0.536624486255} H13 5157 -1 1 {} H 0.0 {0.518575977352 0.328774991808 0.535696545341} H14 5158 -1 1 {} H 0.0 {0.525134280978 0.354297458443 0.606847006096} H15 5159 -1 1 {} H 0.0 {0.527430595948 0.364767158047 0.576146335631} H16 5160 -1 1 {} H 0.0 {0.525505773662 0.352429166531 0.563475916584} H17 5161 -1 1 {} H 0.0 {0.540963823466 0.353929827814 0.572170175869} H18 5162 -1 1 {} H 0.0 {0.546755608679 0.334499648113 0.586123297551} H19 5163 -1 1 {} H 0.0 {0.518935756088 0.273255861718 0.558215105088} H20 5164 -1 1 {} H 0.0 {0.50787087117 0.284943335669 0.564184003152} H21 5165 -1 1 {} H 0.0 {0.552221458459 0.297015763254 0.553041280363} H22 5166 -1 14 {} Si 0.0 {0.36341634359 0.663241855655 0.584439231986} Si1 5167 -1 8 {} O 0.0 {0.349700427335 0.671338281698 0.575197665801} O1 5168 -1 14 {} Si 0.0 {0.345254869233 0.660991246564 0.560649821044} Si2 5169 -1 8 {} O 0.0 {0.333717252691 0.670246599449 0.549739703968} O2 5170 -1 14 {} Si 0.0 {0.337055940023 0.665595059229 0.532290021038} Si3 5171 -1 7 {} N 0.0 {0.330445369781 0.67875270625 0.520977688465} N1 5172 -1 14 {} Si 0.0 {0.340465790638 0.694112266208 0.524379037545} Si4 5173 -1 14 {} Si 0.0 {0.31270036507 0.6819609727 0.526013157505} Si5 5174 -1 7 {} N 0.0 {0.358522198233 0.689919899089 0.522994399471} N2 5175 -1 7 {} N 0.0 {0.336904374798 0.700258137824 0.541637298014} N3 5176 -1 7 {} N 0.0 {0.33621457575 0.70729820414 0.511952012432} N4 5177 -1 7 {} N 0.0 {0.309003474748 0.700260448966 0.525193572253} N5 5178 -1 7 {} N 0.0 {0.301222986484 0.673139026246 0.514356454159} N6 5179 -1 7 {} N 0.0 {0.309964938418 0.675783241426 0.543518980148} N7 5180 -1 8 {} O 0.0 {0.369431645554 0.648668551001 0.574952187989} O3 5181 -1 6 {} C 0.0 {0.357190339049 0.657614559312 0.601259596059} C1 5182 -1 8 {} O 0.0 {0.377218682111 0.675200645704 0.586696995895} O4 5183 -1 7 {} N 0.0 {0.328804253011 0.649322408698 0.528486709} N8 5184 -1 8 {} O 0.0 {0.355211967542 0.664087536394 0.52985710499} O5 5185 -1 1 {} H 0.0 {0.338953648781 0.648960336417 0.565094390759} H1 5186 -1 1 {} H 0.0 {0.357105958745 0.657734672542 0.553336378725} H2 5187 -1 1 {} H 0.0 {0.363876668563 0.697015384089 0.528847608063} H3 5188 -1 1 {} H 0.0 {0.361317803663 0.691649107607 0.512753274164} H4 5189 -1 1 {} H 0.0 {0.329881794833 0.708216870159 0.540842629498} H5 5190 -1 1 {} H 0.0 {0.346033572115 0.704607210357 0.545300260657} H6 5191 -1 1 {} H 0.0 {0.340527873585 0.704371952552 0.502644829106} H7 5192 -1 1 {} H 0.0 {0.341377831508 0.716225130347 0.515036118915} H8 5193 -1 1 {} H 0.0 {0.299329849135 0.701657399193 0.52930323416} H9 5194 -1 1 {} H 0.0 {0.308331497163 0.702807991397 0.514761801632} H10 5195 -1 1 {} H 0.0 {0.302703678191 0.67735188842 0.504688456797} H11 5196 -1 1 {} H 0.0 {0.291202023428 0.675767908197 0.517318721339} H12 5197 -1 1 {} H 0.0 {0.313375646398 0.665721972635 0.54401378495} H13 5198 -1 1 {} H 0.0 {0.299329456819 0.675512262346 0.545165923261} H14 5199 -1 1 {} H 0.0 {0.374358384221 0.642062262097 0.581460522246} H15 5200 -1 1 {} H 0.0 {0.355515111367 0.646844326343 0.601096834391} H16 5201 -1 1 {} H 0.0 {0.347837534276 0.662711850677 0.603565267943} H17 5202 -1 1 {} H 0.0 {0.364613369989 0.660020371653 0.60887081448} H18 5203 -1 1 {} H 0.0 {0.374166644338 0.684704972538 0.583453485824} H19 5204 -1 1 {} H 0.0 {0.320893625082 0.648050353133 0.535527661031} H20 5205 -1 1 {} H 0.0 {0.336013102255 0.641641585472 0.530568142869} H21 5206 -1 1 {} H 0.0 {0.359954773189 0.672628115809 0.533688663973} H22 5207 -1 14 {} Si 0.0 {0.666824325694 0.675795963435 0.467942922862} Si1 5208 -1 8 {} O 0.0 {0.661047359478 0.671765592635 0.484949532642} O1 5209 -1 14 {} Si 0.0 {0.658753477208 0.687361278567 0.494449671945} Si2 5210 -1 8 {} O 0.0 {0.657589544245 0.683538103731 0.512411611987} O2 5211 -1 14 {} Si 0.0 {0.639921211666 0.68128602504 0.517083186713} Si3 5212 -1 7 {} N 0.0 {0.6387729858 0.668197037099 0.530724885408} N1 5213 -1 14 {} Si 0.0 {0.655712279687 0.660578301243 0.532694856879} Si4 5214 -1 14 {} Si 0.0 {0.627530776269 0.653953333986 0.525529121515} Si5 5215 -1 7 {} N 0.0 {0.665172612676 0.662076967047 0.516749370853} N2 5216 -1 7 {} N 0.0 {0.653905154666 0.642535714994 0.537020332944} N3 5217 -1 7 {} N 0.0 {0.664947588711 0.669248870439 0.546265791427} N4 5218 -1 7 {} N 0.0 {0.62467297095 0.643335238281 0.540843717632} N5 5219 -1 7 {} N 0.0 {0.610737279055 0.660062866615 0.518785326759} N6 5220 -1 7 {} N 0.0 {0.636055412247 0.643725779617 0.512417108033} N7 5221 -1 8 {} O 0.0 {0.680902951968 0.687602453616 0.468896864853} O3 5222 -1 6 {} C 0.0 {0.65275045919 0.683610881136 0.458228972447} C1 5223 -1 8 {} O 0.0 {0.67230300001 0.660391330038 0.459496367591} O4 5224 -1 7 {} N 0.0 {0.630292125216 0.675846309773 0.50212115424} N8 5225 -1 8 {} O 0.0 {0.63318522758 0.697234457857 0.523270568028} O5 5226 -1 1 {} H 0.0 {0.646739621836 0.693818590352 0.490171696159} H1 5227 -1 1 {} H 0.0 {0.66989862093 0.696015745071 0.492140263549} H2 5228 -1 1 {} H 0.0 {0.664415224096 0.652683441881 0.51173677777} H3 5229 -1 1 {} H 0.0 {0.675528013426 0.663283901211 0.519412153605} H4 5230 -1 1 {} H 0.0 {0.643644981846 0.640831078866 0.539319814572} H5 5231 -1 1 {} H 0.0 {0.65939196485 0.640970626265 0.54614800995} H6 5232 -1 1 {} H 0.0 {0.673517899359 0.673768959911 0.541852028194} H7 5233 -1 1 {} H 0.0 {0.668595201917 0.66158237203 0.552886455149} H8 5234 -1 1 {} H 0.0 {0.6185342829 0.635055993887 0.538131879329} H9 5235 -1 1 {} H 0.0 {0.618916952722 0.649292888562 0.547715835734} H10 5236 -1 1 {} H 0.0 {0.606240333587 0.666497495201 0.526158833831} H11 5237 -1 1 {} H 0.0 {0.604314009437 0.651479541971 0.518009617091} H12 5238 -1 1 {} H 0.0 {0.629711013402 0.643630769322 0.503863482314} H13 5239 -1 1 {} H 0.0 {0.636416142733 0.633595239081 0.516050989719} H14 5240 -1 1 {} H 0.0 {0.678156334731 0.696675434567 0.464382004245} H15 5241 -1 1 {} H 0.0 {0.655442865955 0.693816314758 0.455504265655} H16 5242 -1 1 {} H 0.0 {0.643738492318 0.683746730834 0.464359298542} H17 5243 -1 1 {} H 0.0 {0.650907926937 0.677805041638 0.449189433008} H18 5244 -1 1 {} H 0.0 {0.666352559114 0.658765926751 0.450997647258} H19 5245 -1 1 {} H 0.0 {0.624947591305 0.684331278213 0.49855422512} H20 5246 -1 1 {} H 0.0 {0.622948884956 0.668825869954 0.505542110558} H21 5247 -1 1 {} H 0.0 {0.640220899377 0.704845033004 0.521655331426} H22 5248 -1 14 {} Si 0.0 {0.590768719806 0.558330074067 0.26432129801} Si1 5249 -1 8 {} O 0.0 {0.587325593859 0.576149850968 0.267050431605} O1 5250 -1 14 {} Si 0.0 {0.571743213699 0.580867485584 0.258510676827} Si2 5251 -1 8 {} O 0.0 {0.575614832601 0.593195143732 0.705612022531} O2 5252 -1 14 {} Si 0.0 {0.581743005089 0.608328037527 0.253781518225} Si3 5253 -1 7 {} N 0.0 {0.596352389123 0.615274672903 0.704756096303} N1 5254 -1 14 {} Si 0.0 {0.589925602155 0.622124649278 0.688711440888} Si4 5255 -1 14 {} Si 0.0 {0.608101037783 0.601179924463 0.700879070894} Si5 5256 -1 7 {} N 0.0 {0.580037856153 0.637454902758 0.692200454033} N2 5257 -1 7 {} N 0.0 {0.578956281195 0.609608440548 0.68045585738} N3 5258 -1 7 {} N 0.0 {0.60417227467 0.626390013564 0.677573143209} N4 5259 -1 7 {} N 0.0 {0.614865217244 0.603195124612 0.683683064822} N5 5260 -1 7 {} N 0.0 {0.622201268073 0.601396388328 0.252916457134} N6 5261 -1 7 {} N 0.0 {0.599191394861 0.584913858297 0.702146645555} N7 5262 -1 8 {} O 0.0 {0.587877849053 0.549111628332 0.279965267069} O3 5263 -1 6 {} C 0.0 {0.608682255276 0.556164367959 0.259000995426} C1 5264 -1 8 {} O 0.0 {0.579616564772 0.55185993 0.251215134184} O4 5265 -1 7 {} N 0.0 {0.586751454334 0.603989730044 0.271071267953} N8 5266 -1 8 {} O 0.0 {0.568314016918 0.62088430931 0.254266292571} O5 5267 -1 1 {} H 0.0 {0.562725778789 0.586683271578 0.267985890248} H1 5268 -1 1 {} H 0.0 {0.565729419039 0.569310963189 0.252647899598} H2 5269 -1 1 {} H 0.0 {0.570604121211 0.634305850156 0.696040177989} H3 5270 -1 1 {} H 0.0 {0.578079435913 0.642086051308 0.682696418609} H4 5271 -1 1 {} H 0.0 {0.574141716322 0.604055129125 0.688158224929} H5 5272 -1 1 {} H 0.0 {0.585392934645 0.602776316312 0.67534341854} H6 5273 -1 1 {} H 0.0 {0.60097401886 0.634367311692 0.671289748978} H7 5274 -1 1 {} H 0.0 {0.605724979548 0.617926993991 0.671195601489} H8 5275 -1 1 {} H 0.0 {0.622840586313 0.596193050097 0.682595948385} H9 5276 -1 1 {} H 0.0 {0.619314599653 0.612977823286 0.683250560999} H10 5277 -1 1 {} H 0.0 {0.629269599034 0.608578389921 0.709571433006} H11 5278 -1 1 {} H 0.0 {0.627019784968 0.591788860317 0.252242489544} H12 5279 -1 1 {} H 0.0 {0.604444354094 0.579004033835 0.709306310071} H13 5280 -1 1 {} H 0.0 {0.600407529452 0.579989192157 0.692652677876} H14 5281 -1 1 {} H 0.0 {0.595626812294 0.542184773136 0.281411498398} H15 5282 -1 1 {} H 0.0 {0.615130642877 0.556374672425 0.267789083988} H16 5283 -1 1 {} H 0.0 {0.611476608471 0.564251455319 0.252254681436} H17 5284 -1 1 {} H 0.0 {0.609819831283 0.546612347642 0.253887615865} H18 5285 -1 1 {} H 0.0 {0.584295733548 0.543856471342 0.706431461845} H19 5286 -1 1 {} H 0.0 {0.595771626301 0.609206022847 0.273137957632} H20 5287 -1 1 {} H 0.0 {0.589211584315 0.593536194523 0.270976943121} H21 5288 -1 1 {} H 0.0 {0.560284792107 0.617182307948 0.259922582701} H22 5289 -1 14 {} Si 0.0 {0.426608367604 0.620494855437 0.548725635087} Si1 5290 -1 8 {} O 0.0 {0.43609602469 0.620109442367 0.533007065473} O1 5291 -1 14 {} Si 0.0 {0.428773104724 0.607422331514 0.521960797353} Si2 5292 -1 8 {} O 0.0 {0.431369299153 0.590841118509 0.529279887375} O2 5293 -1 14 {} Si 0.0 {0.434148542613 0.57873948035 0.515818388417} Si3 5294 -1 7 {} N 0.0 {0.427970748663 0.562207204523 0.521158796082} N1 5295 -1 14 {} Si 0.0 {0.441850937877 0.554574777628 0.530826376267} Si4 5296 -1 14 {} Si 0.0 {0.425499785389 0.552129062008 0.505725493269} Si5 5297 -1 7 {} N 0.0 {0.457004730889 0.565221728425 0.529032489336} N2 5298 -1 7 {} N 0.0 {0.445440236324 0.537530696852 0.524384488587} N3 5299 -1 7 {} N 0.0 {0.437092498425 0.553653727528 0.548761904551} N4 5300 -1 7 {} N 0.0 {0.442027770011 0.547534754448 0.498575567943} N5 5301 -1 7 {} N 0.0 {0.415973691844 0.536713952619 0.509827425935} N6 5302 -1 7 {} N 0.0 {0.415960859251 0.56217555748 0.493297837024} N7 5303 -1 8 {} O 0.0 {0.438238116895 0.621350763704 0.562925835811} O3 5304 -1 6 {} C 0.0 {0.416234697505 0.604894204826 0.550132095143} C1 5305 -1 8 {} O 0.0 {0.415599546081 0.635229639579 0.548847751695} O4 5306 -1 7 {} N 0.0 {0.452330006661 0.57748711811 0.512268017878} N8 5307 -1 8 {} O 0.0 {0.425248770487 0.584148057677 0.500671881329} O5 5308 -1 1 {} H 0.0 {0.435058106238 0.608006298794 0.509135978555} H1 5309 -1 1 {} H 0.0 {0.414756293449 0.609839890193 0.520539820498} H2 5310 -1 1 {} H 0.0 {0.464826437457 0.559016767204 0.525346146859} H3 5311 -1 1 {} H 0.0 {0.459875107199 0.568219030677 0.53895754318} H4 5312 -1 1 {} H 0.0 {0.436422043951 0.533789020326 0.520148099182} H5 5313 -1 1 {} H 0.0 {0.447584474298 0.531392677522 0.532955692718} H6 5314 -1 1 {} H 0.0 {0.440395866994 0.562690944659 0.553364561178} H7 5315 -1 1 {} H 0.0 {0.442906109586 0.545717112866 0.553089083675} H8 5316 -1 1 {} H 0.0 {0.443429179329 0.553447508498 0.489816625361} H9 5317 -1 1 {} H 0.0 {0.441228769574 0.537327037837 0.495279896251} H10 5318 -1 1 {} H 0.0 {0.420281561558 0.528755817773 0.504211066627} H11 5319 -1 1 {} H 0.0 {0.406019246203 0.538133671689 0.505989940735} H12 5320 -1 1 {} H 0.0 {0.409558024749 0.555471069222 0.488049819647} H13 5321 -1 1 {} H 0.0 {0.42311242751 0.565825416896 0.486130769952} H14 5322 -1 1 {} H 0.0 {0.439277955101 0.611814189153 0.567167370809} H15 5323 -1 1 {} H 0.0 {0.422229782923 0.596272293351 0.54721694884} H16 5324 -1 1 {} H 0.0 {0.40757541552 0.605687805997 0.543564574778} H17 5325 -1 1 {} H 0.0 {0.412896864728 0.603680053963 0.560436917975} H18 5326 -1 1 {} H 0.0 {0.405606797109 0.632120723973 0.548006556032} H19 5327 -1 1 {} H 0.0 {0.454722536391 0.56709650277 0.511779342322} H20 5328 -1 1 {} H 0.0 {0.457425311451 0.581390725736 0.52090215007} H21 5329 -1 1 {} H 0.0 {0.431576652199 0.590237252514 0.494911932641} H22 5330 -1 14 {} Si 0.0 {0.295377916922 0.453903650902 0.485103116189} Si1 5331 -1 8 {} O 0.0 {0.296415007639 0.458366376079 0.50288550806} O1 5332 -1 14 {} Si 0.0 {0.295932261647 0.442995639817 0.512977802139} Si2 5333 -1 8 {} O 0.0 {0.313049889254 0.436816548351 0.515193764483} O2 5334 -1 14 {} Si 0.0 {0.313024912329 0.419139262978 0.52042909614} Si3 5335 -1 7 {} N 0.0 {0.295708492413 0.412632400321 0.522304564815} N1 5336 -1 14 {} Si 0.0 {0.285568387538 0.425377629079 0.531190140727} Si4 5337 -1 14 {} Si 0.0 {0.296953302873 0.397898223198 0.533531444314} Si5 5338 -1 7 {} N 0.0 {0.276932246634 0.436241570969 0.518809667497} N2 5339 -1 7 {} N 0.0 {0.296618915666 0.435700566296 0.541971301091} N3 5340 -1 7 {} N 0.0 {0.272900121937 0.416742995701 0.54171667901} N4 5341 -1 7 {} N 0.0 {0.280066939439 0.390636261505 0.536267102755} N5 5342 -1 7 {} N 0.0 {0.308107522591 0.385234553867 0.52575581881} N6 5343 -1 7 {} N 0.0 {0.304116869338 0.403177551464 0.549860189221} N7 5344 -1 8 {} O 0.0 {0.302483763335 0.467449725482 0.474859825915} O3 5345 -1 6 {} C 0.0 {0.27742109425 0.451297224799 0.480500467661} C1 5346 -1 8 {} O 0.0 {0.30475076524 0.438379248504 0.482121315786} O4 5347 -1 7 {} N 0.0 {0.321886334506 0.417622330746 0.536677482595} N8 5348 -1 8 {} O 0.0 {0.321809389098 0.409068094581 0.507786967716} O5 5349 -1 1 {} H 0.0 {0.288083684038 0.433107213087 0.506260045342} H1 5350 -1 1 {} H 0.0 {0.290187451189 0.445854738346 0.525752001714} H2 5351 -1 1 {} H 0.0 {0.273334004994 0.444780410983 0.524064808735} H3 5352 -1 1 {} H 0.0 {0.728383093073 0.430820073204 0.515471939906} H4 5353 -1 1 {} H 0.0 {0.3008487615 0.42920186787 0.54928269765} H5 5354 -1 1 {} H 0.0 {0.290230688195 0.44253137471 0.547278769149} H6 5355 -1 1 {} H 0.0 {0.723495039909 0.418556010488 0.537319491247} H7 5356 -1 1 {} H 0.0 {0.272882654417 0.421722616284 0.551241673945} H8 5357 -1 1 {} H 0.0 {0.281161918138 0.380052849584 0.536399161047} H9 5358 -1 1 {} H 0.0 {0.274232074764 0.393016467784 0.527554236618} H10 5359 -1 1 {} H 0.0 {0.307682467799 0.386696063815 0.515213258966} H11 5360 -1 1 {} H 0.0 {0.303707611914 0.375664078458 0.527689129956} H12 5361 -1 1 {} H 0.0 {0.306465555836 0.39431933358 0.55529580965} H13 5362 -1 1 {} H 0.0 {0.296210391861 0.40808040339 0.555259560168} H14 5363 -1 1 {} H 0.0 {0.299147171286 0.476707673686 0.47850767264} H15 5364 -1 1 {} H 0.0 {0.273701325528 0.460118643474 0.475289319737} H16 5365 -1 1 {} H 0.0 {0.271577795678 0.449657269208 0.489564450326} H17 5366 -1 1 {} H 0.0 {0.276558560923 0.44260931307 0.474018063566} H18 5367 -1 1 {} H 0.0 {0.298861621504 0.430155355236 0.484935386789} H19 5368 -1 1 {} H 0.0 {0.327688808249 0.40870243091 0.536285222699} H20 5369 -1 1 {} H 0.0 {0.314332835528 0.416037793949 0.544163172763} H21 5370 -1 1 {} H 0.0 {0.317253318804 0.399634461216 0.507067953744} H22 5371 -1 14 {} Si 0.0 {0.335861391121 0.594988041237 0.322420709978} Si1 5372 -1 8 {} O 0.0 {0.341250715294 0.599149365934 0.305204959538} O1 5373 -1 14 {} Si 0.0 {0.354940722948 0.611539322406 0.305644298418} Si2 5374 -1 8 {} O 0.0 {0.348805352748 0.62721651027 0.313375609872} O2 5375 -1 14 {} Si 0.0 {0.360737463125 0.641056686664 0.310445878394} Si3 5376 -1 7 {} N 0.0 {0.375066998594 0.639761531708 0.322405794823} N1 5377 -1 14 {} Si 0.0 {0.370853792243 0.626417744732 0.33504106247} Si4 5378 -1 14 {} Si 0.0 {0.377299369362 0.65631114166 0.330806265544} Si5 5379 -1 7 {} N 0.0 {0.373348003054 0.60996753333 0.327024072081} N2 5380 -1 7 {} N 0.0 {0.352547427233 0.627892970892 0.340195216695} N3 5381 -1 7 {} N 0.0 {0.382375676879 0.627500245957 0.349768114008} N4 5382 -1 7 {} N 0.0 {0.368123557271 0.656939244536 0.347173804313} N5 5383 -1 7 {} N 0.0 {0.39562237981 0.659001320533 0.333365272551} N6 5384 -1 7 {} N 0.0 {0.370731214674 0.669718225554 0.319689900274} N7 5385 -1 8 {} O 0.0 {0.346330075843 0.581429604552 0.329126229784} O3 5386 -1 6 {} C 0.0 {0.317904054096 0.589493253383 0.322200559335} C1 5387 -1 8 {} O 0.0 {0.337506185245 0.609726172466 0.333219121948} O4 5388 -1 7 {} N 0.0 {0.351979275042 0.657274949028 0.31284360766} N8 5389 -1 8 {} O 0.0 {0.367136571968 0.640042764611 0.293213572277} O5 5390 -1 1 {} H 0.0 {0.359415690834 0.614171083682 0.292322203055} H1 5391 -1 1 {} H 0.0 {0.365797049079 0.606293902925 0.313303627064} H2 5392 -1 1 {} H 0.0 {0.365622127073 0.603573823728 0.330458594254} H3 5393 -1 1 {} H 0.0 {0.382481096283 0.60610090985 0.330937441108} H4 5394 -1 1 {} H 0.0 {0.347497164902 0.633566024229 0.332688660217} H5 5395 -1 1 {} H 0.0 {0.352066388674 0.63373198625 0.349122518657} H6 5396 -1 1 {} H 0.0 {0.391357587471 0.622387751385 0.347145361326} H7 5397 -1 1 {} H 0.0 {0.377981271967 0.621812219919 0.357549604042} H8 5398 -1 1 {} H 0.0 {0.365065969022 0.667048650129 0.348655317922} H9 5399 -1 1 {} H 0.0 {0.37525325024 0.654774290438 0.354942512805} H10 5400 -1 1 {} H 0.0 {0.398940938004 0.651852690314 0.340579054565} H11 5401 -1 1 {} H 0.0 {0.396777218856 0.66871071159 0.337857923756} H12 5402 -1 1 {} H 0.0 {0.379146444108 0.674780387181 0.315534662926} H13 5403 -1 1 {} H 0.0 {0.365723869643 0.676806022887 0.326028258314} H14 5404 -1 1 {} H 0.0 {0.340860417514 0.575988863131 0.336238111813} H15 5405 -1 1 {} H 0.0 {0.317294278402 0.57895352555 0.324897283045} H16 5406 -1 1 {} H 0.0 {0.313779209482 0.590940194525 0.312217803453} H17 5407 -1 1 {} H 0.0 {0.312220521939 0.595414766196 0.329374242399} H18 5408 -1 1 {} H 0.0 {0.328096885 0.612350889113 0.336994515212} H19 5409 -1 1 {} H 0.0 {0.357327047622 0.664611245699 0.307283589138} H20 5410 -1 1 {} H 0.0 {0.353080715898 0.659874210987 0.323218471211} H21 5411 -1 1 {} H 0.0 {0.360776364503 0.64538746271 0.286802829921} H22 5412 -1 14 {} Si 0.0 {0.354408619143 0.27847675945 0.450247095666} Si1 5413 -1 8 {} O 0.0 {0.337941796086 0.270251660662 0.449493211168} O1 5414 -1 14 {} Si 0.0 {0.333823453422 0.722869142159 0.46579960885} Si2 5415 -1 8 {} O 0.0 {0.316432358507 0.716900036484 0.465415932288} O2 5416 -1 14 {} Si 0.0 {0.314310128387 0.70610986546 0.450719674526} Si3 5417 -1 7 {} N 0.0 {0.296842296391 0.706935714109 0.444605114451} N1 5418 -1 14 {} Si 0.0 {0.289998444741 0.689717297249 0.44628222922} Si4 5419 -1 14 {} Si 0.0 {0.298101342794 0.710952630583 0.426510015838} Si5 5420 -1 7 {} N 0.0 {0.275586019707 0.687351579981 0.434784060386} N2 5421 -1 7 {} N 0.0 {0.284424868684 0.687040611756 0.463824133756} N3 5422 -1 7 {} N 0.0 {0.303353993635 0.677489496876 0.442114407013} N4 5423 -1 7 {} N 0.0 {0.303259193888 0.268567505111 0.424652668411} N5 5424 -1 7 {} N 0.0 {0.310962721565 0.7000116761 0.418780573148} N6 5425 -1 7 {} N 0.0 {0.281745018155 0.708294960611 0.418074683071} N7 5426 -1 8 {} O 0.0 {0.361006424645 0.280354039449 0.433180823678} O3 5427 -1 6 {} C 0.0 {0.366318993193 0.268050840063 0.460395904592} C1 5428 -1 8 {} O 0.0 {0.352637977942 0.295077664799 0.457985216304} O4 5429 -1 7 {} N 0.0 {0.318395136884 0.688563903019 0.455228177936} N8 5430 -1 8 {} O 0.0 {0.325622941579 0.71175597351 0.437353606172} O5 5431 -1 1 {} H 0.0 {0.335327059738 0.272501389571 0.476130103132} H1 5432 -1 1 {} H 0.0 {0.342571006451 0.711835099627 0.468316897878} H2 5433 -1 1 {} H 0.0 {0.727465782393 0.684077192104 0.440711045655} H3 5434 -1 1 {} H 0.0 {0.278135389821 0.679136575467 0.42831089254} H4 5435 -1 1 {} H 0.0 {0.289365200356 0.694318056131 0.46985046894} H5 5436 -1 1 {} H 0.0 {0.2882535559 0.677455446349 0.466851349114} H6 5437 -1 1 {} H 0.0 {0.302958469959 0.675841605519 0.431602725095} H7 5438 -1 1 {} H 0.0 {0.300610667854 0.668206268939 0.446784300346} H8 5439 -1 1 {} H 0.0 {0.309130814357 0.269244983672 0.415802742004} H9 5440 -1 1 {} H 0.0 {0.309861462463 0.270723918246 0.432886169139} H10 5441 -1 1 {} H 0.0 {0.316489579348 0.695556982934 0.426743593526} H11 5442 -1 1 {} H 0.0 {0.317792553559 0.706493686075 0.41357875501} H12 5443 -1 1 {} H 0.0 {0.282891889005 0.71145547409 0.407937368903} H13 5444 -1 1 {} H 0.0 {0.27478059119 0.715107338828 0.422618469982} H14 5445 -1 1 {} H 0.0 {0.360708736475 0.271059248541 0.428291079076} H15 5446 -1 1 {} H 0.0 {0.369618405697 0.719639665594 0.454479380172} H16 5447 -1 1 {} H 0.0 {0.361309581719 0.724645988464 0.469399344012} H17 5448 -1 1 {} H 0.0 {0.374962499386 0.274093993915 0.463178222825} H18 5449 -1 1 {} H 0.0 {0.35211285199 0.294027335833 0.468416538665} H19 5450 -1 1 {} H 0.0 {0.30951994608 0.68416552648 0.459153215537} H20 5451 -1 1 {} H 0.0 {0.325429696586 0.689029321574 0.463338310016} H21 5452 -1 1 {} H 0.0 {0.324810086865 0.722169765843 0.43626308329} H22 5453 -1 14 {} Si 0.0 {0.519139379779 0.716598666866 0.303183868786} Si1 5454 -1 8 {} O 0.0 {0.513736890234 0.273775660433 0.306022524832} O1 5455 -1 14 {} Si 0.0 {0.509971404377 0.281696689489 0.289872292163} Si2 5456 -1 8 {} O 0.0 {0.516576467754 0.298809161868 0.289896872455} O2 5457 -1 14 {} Si 0.0 {0.508276659194 0.308255705809 0.303236219105} Si3 5458 -1 7 {} N 0.0 {0.508755928108 0.298384938121 0.319068932669} N1 5459 -1 14 {} Si 0.0 {0.499406069952 0.308022399439 0.331545339736} Si4 5460 -1 14 {} Si 0.0 {0.526199586695 0.298316761096 0.325468972898} Si5 5461 -1 7 {} N 0.0 {0.499194359316 0.298422793728 0.347537918372} N2 5462 -1 7 {} N 0.0 {0.482007345778 0.311014809229 0.325715210176} N3 5463 -1 7 {} N 0.0 {0.508263145971 0.324257205225 0.333796651669} N4 5464 -1 7 {} N 0.0 {0.535316902247 0.313166170839 0.31902049835} N5 5465 -1 7 {} N 0.0 {0.525628107792 0.299106049718 0.344077833083} N6 5466 -1 7 {} N 0.0 {0.534912291574 0.282796734262 0.3202313997} N7 5467 -1 8 {} O 0.0 {0.522523539529 0.714115524928 0.285274973112} O3 5468 -1 6 {} C 0.0 {0.505549386328 0.704865464149 0.308697975536} C1 5469 -1 8 {} O 0.0 {0.53443673389 0.713281527614 0.31285145484} O4 5470 -1 7 {} N 0.0 {0.490553550711 0.311324007969 0.298406541791} N8 5471 -1 8 {} O 0.0 {0.516817236434 0.324361569581 0.305686601325} O5 5472 -1 1 {} H 0.0 {0.495800985242 0.28205814367 0.287933325313} H1 5473 -1 1 {} H 0.0 {0.516053151363 0.27422094619 0.279318359936} H2 5474 -1 1 {} H 0.0 {0.489383298079 0.299218316508 0.351613116868} H3 5475 -1 1 {} H 0.0 {0.505789638172 0.303534855641 0.354327324148} H4 5476 -1 1 {} H 0.0 {0.47901603504 0.302448651449 0.320146941868} H5 5477 -1 1 {} H 0.0 {0.482450094981 0.319200261076 0.31875547675} H6 5478 -1 1 {} H 0.0 {0.507048359594 0.327218605739 0.343792855363} H7 5479 -1 1 {} H 0.0 {0.503087638661 0.331487708215 0.327773479892} H8 5480 -1 1 {} H 0.0 {0.545607646755 0.310502647114 0.318361535829} H9 5481 -1 1 {} H 0.0 {0.53460415678 0.320757111267 0.326635557802} H10 5482 -1 1 {} H 0.0 {0.52566618436 0.309412368786 0.346819015593} H11 5483 -1 1 {} H 0.0 {0.534868101686 0.29495033896 0.347651419401} H12 5484 -1 1 {} H 0.0 {0.543699648581 0.281960665454 0.326227699115} H13 5485 -1 1 {} H 0.0 {0.538239448741 0.284391503973 0.310145078959} H14 5486 -1 1 {} H 0.0 {0.520865028074 0.704062189386 0.282773329665} H15 5487 -1 1 {} H 0.0 {0.49939877092 0.702146670072 0.300121983895} H16 5488 -1 1 {} H 0.0 {0.499348983052 0.709767341758 0.316208007324} H17 5489 -1 1 {} H 0.0 {0.510010738316 0.695888871669 0.312965913704} H18 5490 -1 1 {} H 0.0 {0.532129141047 0.713152748362 0.323093248684} H19 5491 -1 1 {} H 0.0 {0.487571916701 0.320494534943 0.302928304394} H20 5492 -1 1 {} H 0.0 {0.484696536237 0.303571221844 0.303040274754} H21 5493 -1 1 {} H 0.0 {0.510518258385 0.332160241597 0.302521945141} H22 5494 -1 14 {} Si 0.0 {0.625392657349 0.388417750754 0.255367424756} Si1 5495 -1 8 {} O 0.0 {0.641180224679 0.380650154893 0.250035202752} O1 5496 -1 14 {} Si 0.0 {0.640483684456 0.362532227353 0.253246015593} Si2 5497 -1 8 {} O 0.0 {0.633804162654 0.353778702175 0.698498486251} O2 5498 -1 14 {} Si 0.0 {0.616654061476 0.359626245447 0.69498976077} Si3 5499 -1 7 {} N 0.0 {0.610748120097 0.352695415951 0.678616365989} N1 5500 -1 14 {} Si 0.0 {0.612328913846 0.334015431328 0.679093711658} Si4 5501 -1 14 {} Si 0.0 {0.622469196434 0.35904354835 0.66561371688} Si5 5502 -1 7 {} N 0.0 {0.595860861246 0.326226934529 0.675207350961} N2 5503 -1 7 {} N 0.0 {0.617832569995 0.328564730873 0.695975325497} N3 5504 -1 7 {} N 0.0 {0.624783965045 0.328465762467 0.666442824513} N4 5505 -1 7 {} N 0.0 {0.639268136235 0.351622715165 0.668346713} N5 5506 -1 7 {} N 0.0 {0.616330555694 0.354415130513 0.648690884137} N6 5507 -1 7 {} N 0.0 {0.623582141309 0.377555021635 0.666885527267} N7 5508 -1 8 {} O 0.0 {0.628297481573 0.398632013872 0.270409638795} O3 5509 -1 6 {} C 0.0 {0.612846996297 0.374979290936 0.259242941915} C1 5510 -1 8 {} O 0.0 {0.618987821389 0.399111095536 0.701964098803} O4 5511 -1 7 {} N 0.0 {0.616631930496 0.378211255533 0.694083995478} N8 5512 -1 8 {} O 0.0 {0.605390958128 0.354190042618 0.708495112909} O5 5513 -1 1 {} H 0.0 {0.632015176927 0.360005882871 0.264483288495} H1 5514 -1 1 {} H 0.0 {0.653652668656 0.357755963328 0.256087990595} H2 5515 -1 1 {} H 0.0 {0.591125617811 0.324022339585 0.684496233602} H3 5516 -1 1 {} H 0.0 {0.597959505203 0.316749423745 0.670522368475} H4 5517 -1 1 {} H 0.0 {0.621283550918 0.337207530573 0.701118241694} H5 5518 -1 1 {} H 0.0 {0.626408217493 0.322226152792 0.694518385317} H6 5519 -1 1 {} H 0.0 {0.619703813108 0.322006973448 0.6596351036} H7 5520 -1 1 {} H 0.0 {0.631960459298 0.32237269298 0.671648412305} H8 5521 -1 1 {} H 0.0 {0.644432717408 0.352002056062 0.659045739465} H9 5522 -1 1 {} H 0.0 {0.637706585126 0.34121210212 0.670561763821} H10 5523 -1 1 {} H 0.0 {0.624699101691 0.350736169196 0.643199328554} H11 5524 -1 1 {} H 0.0 {0.613316422882 0.363570137076 0.643893169032} H12 5525 -1 1 {} H 0.0 {0.614564841672 0.381545230181 0.662829231036} H13 5526 -1 1 {} H 0.0 {0.631516340409 0.380624790204 0.66030859228} H14 5527 -1 1 {} H 0.0 {0.624032115284 0.393867839404 0.278744350785} H15 5528 -1 1 {} H 0.0 {0.607960008725 0.377191179744 0.268728838706} H16 5529 -1 1 {} H 0.0 {0.617921151349 0.365367467526 0.259932806957} H17 5530 -1 1 {} H 0.0 {0.605386789253 0.374578962215 0.251316252742} H18 5531 -1 1 {} H 0.0 {0.608497932461 0.399049772107 0.702138698016} H19 5532 -1 1 {} H 0.0 {0.609370959137 0.381013944338 0.686803725483} H20 5533 -1 1 {} H 0.0 {0.626212799368 0.381120155813 0.690126978997} H21 5534 -1 1 {} H 0.0 {0.603522633274 0.343917920446 0.707567356072} H22 5535 -1 14 {} Si 0.0 {0.326965139215 0.485523094196 0.312019516825} Si1 5536 -1 8 {} O 0.0 {0.345085366781 0.485900879676 0.308697361059} O1 5537 -1 14 {} Si 0.0 {0.354366998265 0.490328025552 0.324035108138} Si2 5538 -1 8 {} O 0.0 {0.345036518346 0.502729903304 0.333819334183} O2 5539 -1 14 {} Si 0.0 {0.353099404741 0.504416054117 0.350299420092} Si3 5540 -1 7 {} N 0.0 {0.351237877146 0.521803532756 0.356460912871} N1 5541 -1 14 {} Si 0.0 {0.355559373234 0.521793228273 0.374503417607} Si4 5542 -1 14 {} Si 0.0 {0.333303395121 0.526301390763 0.355250052459} Si5 5543 -1 7 {} N 0.0 {0.356186407581 0.539383854947 0.380534633804} N2 5544 -1 7 {} N 0.0 {0.372141979733 0.513735761865 0.376928346667} N3 5545 -1 7 {} N 0.0 {0.342584265317 0.512310370386 0.38395260203} N4 5546 -1 7 {} N 0.0 {0.326248809927 0.528027679006 0.372354146253} N5 5547 -1 7 {} N 0.0 {0.331654891706 0.542453400075 0.346249865858} N6 5548 -1 7 {} N 0.0 {0.324116898653 0.513010363547 0.346032503207} N7 5549 -1 8 {} O 0.0 {0.319215688516 0.472091971845 0.302096605904} O3 5550 -1 6 {} C 0.0 {0.319405706735 0.501991498866 0.307098767437} C1 5551 -1 8 {} O 0.0 {0.323967810459 0.482443942266 0.329914437784} O4 5552 -1 7 {} N 0.0 {0.371191249682 0.500451045181 0.348740863914} N8 5553 -1 8 {} O 0.0 {0.345269133252 0.492778524821 0.362205004161} O5 5554 -1 1 {} H 0.0 {0.367088026354 0.495798228849 0.320442157959} H1 5555 -1 1 {} H 0.0 {0.356308651463 0.478622944905 0.331999328557} H2 5556 -1 1 {} H 0.0 {0.357106546532 0.539117032894 0.391112011165} H3 5557 -1 1 {} H 0.0 {0.346571842334 0.543701330582 0.378399535156} H4 5558 -1 1 {} H 0.0 {0.378016470786 0.515947815593 0.3683209448} H5 5559 -1 1 {} H 0.0 {0.370449024413 0.503105006863 0.376830418088} H6 5560 -1 1 {} H 0.0 {0.343658168098 0.514804348749 0.394240123788} H7 5561 -1 1 {} H 0.0 {0.345115979755 0.501888528921 0.383058941936} H8 5562 -1 1 {} H 0.0 {0.316287669511 0.524281959142 0.372057523243} H9 5563 -1 1 {} H 0.0 {0.325500659525 0.538580618431 0.374325112861} H10 5564 -1 1 {} H 0.0 {0.33817496932 0.549400120976 0.351027764545} H11 5565 -1 1 {} H 0.0 {0.321641394748 0.545953857906 0.348004719124} H12 5566 -1 1 {} H 0.0 {0.317259526443 0.508581109328 0.352881437942} H13 5567 -1 1 {} H 0.0 {0.331314633438 0.505418274192 0.34358079279} H14 5568 -1 1 {} H 0.0 {0.321115346381 0.473749880269 0.291893781874} H15 5569 -1 1 {} H 0.0 {0.313995215885 0.500836918581 0.297703703826} H16 5570 -1 1 {} H 0.0 {0.32731578123 0.50938147635 0.305847796308} H17 5571 -1 1 {} H 0.0 {0.312526061756 0.505303510047 0.314868558011} H18 5572 -1 1 {} H 0.0 {0.317882843596 0.490071849857 0.333794435592} H19 5573 -1 1 {} H 0.0 {0.373880499099 0.494581763999 0.357211266787} H20 5574 -1 1 {} H 0.0 {0.376477246851 0.509786883596 0.349681147981} H21 5575 -1 1 {} H 0.0 {0.341591879964 0.484426652235 0.357009758072} H22 5576 -1 14 {} Si 0.0 {0.349934197657 0.440056187153 0.415640902087} Si1 5577 -1 8 {} O 0.0 {0.346162145156 0.435911611697 0.433130992987} O1 5578 -1 14 {} Si 0.0 {0.361873786033 0.434789668886 0.442822864896} Si2 5579 -1 8 {} O 0.0 {0.359541112945 0.443381721485 0.458870665053} O2 5580 -1 14 {} Si 0.0 {0.348107342386 0.433458494966 0.469227228986} Si3 5581 -1 7 {} N 0.0 {0.34954317315 0.438856139062 0.486899746707} N1 5582 -1 14 {} Si 0.0 {0.363300867391 0.429078171764 0.49464080221} Si4 5583 -1 14 {} Si 0.0 {0.33376741959 0.434103535671 0.49545741532} Si5 5584 -1 7 {} N 0.0 {0.358186757721 0.4234273861 0.51161733627} N2 5585 -1 7 {} N 0.0 {0.378386103477 0.439823475734 0.495891462466} N3 5586 -1 7 {} N 0.0 {0.3672173343 0.414271870742 0.484128237264} N4 5587 -1 7 {} N 0.0 {0.322489958616 0.425510577142 0.483397821541} N5 5588 -1 7 {} N 0.0 {0.33762553556 0.422707180486 0.509629742505} N6 5589 -1 7 {} N 0.0 {0.325457398923 0.449440723907 0.501872311256} N7 5590 -1 8 {} O 0.0 {0.334885128306 0.447237411783 0.407797735562} O3 5591 -1 6 {} C 0.0 {0.355162267102 0.424479362391 0.406280799143} C1 5592 -1 8 {} O 0.0 {0.363622657784 0.452331794836 0.415131192866} O4 5593 -1 7 {} N 0.0 {0.352626621254 0.415565733883 0.467713838176} N8 5594 -1 8 {} O 0.0 {0.330816026394 0.435862110317 0.463443881729} O5 5595 -1 1 {} H 0.0 {0.37250727828 0.440976296069 0.435566017649} H1 5596 -1 1 {} H 0.0 {0.365057094741 0.421030470956 0.445223930103} H2 5597 -1 1 {} H 0.0 {0.357384667137 0.432100272975 0.517730443747} H3 5598 -1 1 {} H 0.0 {0.366372586704 0.417652658789 0.515550630761} H4 5599 -1 1 {} H 0.0 {0.37502216209 0.44982124949 0.497290433692} H5 5600 -1 1 {} H 0.0 {0.383179166522 0.439518333762 0.48625724124} H6 5601 -1 1 {} H 0.0 {0.358891833143 0.407713228885 0.484651344926} H7 5602 -1 1 {} H 0.0 {0.375406932482 0.409192234382 0.488888547434} H8 5603 -1 1 {} H 0.0 {0.319290990086 0.432798442782 0.476323568155} H9 5604 -1 1 {} H 0.0 {0.313743577308 0.422545890208 0.488913744353} H10 5605 -1 1 {} H 0.0 {0.338440344229 0.412862982571 0.505654421402} H11 5606 -1 1 {} H 0.0 {0.329011134075 0.422719190189 0.516011464379} H12 5607 -1 1 {} H 0.0 {0.327436241461 0.449972771385 0.512322656829} H13 5608 -1 1 {} H 0.0 {0.31486902443 0.447882749092 0.500826684483} H14 5609 -1 1 {} H 0.0 {0.326321173444 0.44261757926 0.411796037179} H15 5610 -1 1 {} H 0.0 {0.347259171526 0.421510138735 0.399345911263} H16 5611 -1 1 {} H 0.0 {0.356983233389 0.416403379759 0.413351938739} H17 5612 -1 1 {} H 0.0 {0.364289840298 0.426521764966 0.400685840289} H18 5613 -1 1 {} H 0.0 {0.371091589092 0.448942582778 0.408606045661} H19 5614 -1 1 {} H 0.0 {0.348147827114 0.410453412517 0.475854553402} H20 5615 -1 1 {} H 0.0 {0.363273775671 0.414936181345 0.469114500673} H21 5616 -1 1 {} H 0.0 {0.327539837466 0.445451203773 0.466136379413} H22 5617 -1 14 {} Si 0.0 {0.621287732547 0.310437042963 0.311221862105} Si1 5618 -1 8 {} O 0.0 {0.628483320525 0.306129577818 0.294595874716} O1 5619 -1 14 {} Si 0.0 {0.641042299812 0.318770858061 0.289729647224} Si2 5620 -1 8 {} O 0.0 {0.656405604628 0.310575080488 0.283542453925} O2 5621 -1 14 {} Si 0.0 {0.652799146612 0.300640600878 0.268401693087} Si3 5622 -1 7 {} N 0.0 {0.649427330326 0.311799710151 0.25387634636} N1 5623 -1 14 {} Si 0.0 {0.642610201903 0.327759883009 0.260445615538} Si4 5624 -1 14 {} Si 0.0 {0.63603165913 0.30373320483 0.703784810502} Si5 5625 -1 7 {} N 0.0 {0.624123061549 0.326384221021 0.262175292906} N2 5626 -1 7 {} N 0.0 {0.646725080486 0.341488126505 0.70876903431} N3 5627 -1 7 {} N 0.0 {0.650272828367 0.331382887272 0.277003038252} N4 5628 -1 7 {} N 0.0 {0.638934909284 0.307359476685 0.685775381968} N5 5629 -1 7 {} N 0.0 {0.636363149249 0.285331909221 0.706484556338} N6 5630 -1 7 {} N 0.0 {0.619419219064 0.310406728734 0.708827840307} N7 5631 -1 8 {} O 0.0 {0.612483176356 0.295684960672 0.318330189375} O3 5632 -1 6 {} C 0.0 {0.608990878098 0.324375876764 0.309225758013} C1 5633 -1 8 {} O 0.0 {0.634773487636 0.315632712837 0.322629257943} O4 5634 -1 7 {} N 0.0 {0.638056030072 0.289916615468 0.271426694687} N8 5635 -1 8 {} O 0.0 {0.667309613825 0.290019169973 0.264548967779} O5 5636 -1 1 {} H 0.0 {0.644285411164 0.32684330851 0.30109035866} H1 5637 -1 1 {} H 0.0 {0.635654745093 0.327005721138 0.27942877933} H2 5638 -1 1 {} H 0.0 {0.620832305963 0.334765954831 0.267852712336} H3 5639 -1 1 {} H 0.0 {0.622217407049 0.317668034487 0.268184580784} H4 5640 -1 1 {} H 0.0 {0.64597838632 0.33750599785 0.698917126325} H5 5641 -1 1 {} H 0.0 {0.65709790106 0.343862557195 0.250196854569} H6 5642 -1 1 {} H 0.0 {0.649703369473 0.341908909898 0.278514100092} H7 5643 -1 1 {} H 0.0 {0.660720919127 0.328966598479 0.276157087267} H8 5644 -1 1 {} H 0.0 {0.629424479573 0.307289752537 0.680966217072} H9 5645 -1 1 {} H 0.0 {0.644432736916 0.299010787347 0.681796274201} H10 5646 -1 1 {} H 0.0 {0.645489745313 0.281696307579 0.702361286604} H11 5647 -1 1 {} H 0.0 {0.628433127177 0.281190566132 0.700492525345} H12 5648 -1 1 {} H 0.0 {0.616591652295 0.305397617181 0.257664943677} H13 5649 -1 1 {} H 0.0 {0.612422004557 0.307303949835 0.70125528343} H14 5650 -1 1 {} H 0.0 {0.617012859425 0.286819080963 0.314969565938} H15 5651 -1 1 {} H 0.0 {0.603063400751 0.322665685352 0.300243641461} H16 5652 -1 1 {} H 0.0 {0.614336501411 0.333806056017 0.308358262374} H17 5653 -1 1 {} H 0.0 {0.602400336713 0.324703851038 0.317900098922} H18 5654 -1 1 {} H 0.0 {0.636584689675 0.325902996259 0.321451424989} H19 5655 -1 1 {} H 0.0 {0.63938695557 0.28114070696 0.2655421915} H20 5656 -1 1 {} H 0.0 {0.629567911449 0.295111725658 0.267354265653} H21 5657 -1 1 {} H 0.0 {0.675922669561 0.295987818296 0.263866131629} H22 5658 -1 14 {} Si 0.0 {0.707059652399 0.416645134226 0.705716944554} Si1 5659 -1 8 {} O 0.0 {0.717876561354 0.40759070027 0.257137658501} O1 5660 -1 14 {} Si 0.0 {0.273346327053 0.403891765271 0.708309225943} Si2 5661 -1 8 {} O 0.0 {0.281203912249 0.388971175708 0.255360157876} O2 5662 -1 14 {} Si 0.0 {0.298167681049 0.392636326394 0.261689850143} Si3 5663 -1 7 {} N 0.0 {0.29855312111 0.388674865416 0.279844116118} N1 5664 -1 14 {} Si 0.0 {0.28666587149 0.374668708564 0.282291432336} Si4 5665 -1 14 {} Si 0.0 {0.291040307617 0.402967917305 0.289008535476} Si5 5666 -1 7 {} N 0.0 {0.730738100641 0.381607830013 0.288608303438} N2 5667 -1 7 {} N 0.0 {0.293555627857 0.36265435 0.294660001869} N3 5668 -1 7 {} N 0.0 {0.2836974685 0.366042524492 0.26609603515} N4 5669 -1 7 {} N 0.0 {0.295740460137 0.41904434327 0.28106318921} N5 5670 -1 7 {} N 0.0 {0.272541999096 0.401081422563 0.288725512221} N6 5671 -1 7 {} N 0.0 {0.297002421114 0.402814835091 0.306590167345} N7 5672 -1 8 {} O 0.0 {0.716413593036 0.41868833186 0.689543581853} O3 5673 -1 6 {} C 0.0 {0.702670739771 0.43363078395 0.252781511411} C1 5674 -1 8 {} O 0.0 {0.691516363921 0.407194310214 0.70288662677} O4 5675 -1 7 {} N 0.0 {0.302779469012 0.410466453073 0.258971832826} N8 5676 -1 8 {} O 0.0 {0.310259092513 0.382009041009 0.25283023965} O5 5677 -1 1 {} H 0.0 {0.282082914747 0.415037344734 0.70928645663} H1 5678 -1 1 {} H 0.0 {0.730493897002 0.401444141851 0.694541742793} H2 5679 -1 1 {} H 0.0 {0.726875670422 0.374718809581 0.295715172064} H3 5680 -1 1 {} H 0.0 {0.72389742825 0.38162980397 0.280300061711} H4 5681 -1 1 {} H 0.0 {0.300638493077 0.367952333449 0.30059575515} H5 5682 -1 1 {} H 0.0 {0.299101159102 0.355328640704 0.28907851686} H6 5683 -1 1 {} H 0.0 {0.277259291956 0.372289083479 0.260331061214} H7 5684 -1 1 {} H 0.0 {0.27809839061 0.357135911637 0.268337576499} H8 5685 -1 1 {} H 0.0 {0.304654307895 0.422422142804 0.2857978415} H9 5686 -1 1 {} H 0.0 {0.288038269462 0.426103348881 0.283659978804} H10 5687 -1 1 {} H 0.0 {0.728541061775 0.410591397828 0.286364853106} H11 5688 -1 1 {} H 0.0 {0.729640658395 0.398816956151 0.298792039071} H12 5689 -1 1 {} H 0.0 {0.290020178319 0.408443247426 0.312331771765} H13 5690 -1 1 {} H 0.0 {0.306245931513 0.408317878751 0.306751383715} H14 5691 -1 1 {} H 0.0 {0.709699028449 0.4192617135 0.681424582986} H15 5692 -1 1 {} H 0.0 {0.693071932847 0.436882528715 0.708937315088} H16 5693 -1 1 {} H 0.0 {0.710343779247 0.440897255164 0.250075040553} H17 5694 -1 1 {} H 0.0 {0.702004673895 0.432919300961 0.263653503603} H18 5695 -1 1 {} H 0.0 {0.683281980533 0.413245476366 0.70533585964} H19 5696 -1 1 {} H 0.0 {0.304321102615 0.414832214082 0.268521004137} H20 5697 -1 1 {} H 0.0 {0.294293475333 0.415273160119 0.254765542526} H21 5698 -1 1 {} H 0.0 {0.314342287961 0.387383189035 0.704893615137} H22 5699 -1 14 {} Si 0.0 {0.665408810414 0.548105613116 0.668126580584} Si1 5700 -1 8 {} O 0.0 {0.657193802929 0.556784308877 0.682133926388} O1 5701 -1 14 {} Si 0.0 {0.668138251664 0.570159192199 0.68857349726} Si2 5702 -1 8 {} O 0.0 {0.672870814936 0.581750705342 0.674972312875} O2 5703 -1 14 {} Si 0.0 {0.658132964031 0.58622412235 0.664809114789} Si3 5704 -1 7 {} N 0.0 {0.659991907915 0.578853010689 0.647889188419} N1 5705 -1 14 {} Si 0.0 {0.654240841019 0.561169516459 0.648777557062} Si4 5706 -1 14 {} Si 0.0 {0.678161162243 0.578964783138 0.644158324473} Si5 5707 -1 7 {} N 0.0 {0.645688146084 0.558510530917 0.665144726573} N2 5708 -1 7 {} N 0.0 {0.668930474922 0.549701406557 0.646960074185} N3 5709 -1 7 {} N 0.0 {0.642139076033 0.557962257923 0.635018318008} N4 5710 -1 7 {} N 0.0 {0.68729718118 0.58607958063 0.658713294318} N5 5711 -1 7 {} N 0.0 {0.68412107236 0.561680330826 0.640838450671} N6 5712 -1 7 {} N 0.0 {0.68118310041 0.589426838761 0.629284612682} N7 5713 -1 8 {} O 0.0 {0.673704660431 0.532907050245 0.674297229742} O3 5714 -1 6 {} C 0.0 {0.678191441567 0.559447171812 0.660391210502} C1 5715 -1 8 {} O 0.0 {0.652706572104 0.543483538821 0.655465135901} O4 5716 -1 7 {} N 0.0 {0.657042167061 0.60470273199 0.663152717348} N8 5717 -1 8 {} O 0.0 {0.642820590992 0.579846775624 0.672776629381} O5 5718 -1 1 {} H 0.0 {0.679961277099 0.564312051929 0.694093898658} H1 5719 -1 1 {} H 0.0 {0.661237316615 0.577400839156 0.69878399787} H2 5720 -1 1 {} H 0.0 {0.64996504006 0.565355884855 0.672035802045} H3 5721 -1 1 {} H 0.0 {0.648291017994 0.548678147668 0.668575543731} H4 5722 -1 1 {} H 0.0 {0.669735109476 0.547243188503 0.636622263332} H5 5723 -1 1 {} H 0.0 {0.666514069218 0.540550031907 0.652059509396} H6 5724 -1 1 {} H 0.0 {0.633957239327 0.564664421379 0.636385886925} H7 5725 -1 1 {} H 0.0 {0.638255987881 0.548049339649 0.636573670994} H8 5726 -1 1 {} H 0.0 {0.692434833154 0.59475837657 0.655289300532} H9 5727 -1 1 {} H 0.0 {0.694838131869 0.578921080112 0.661435271858} H10 5728 -1 1 {} H 0.0 {0.694729142684 0.561745380668 0.641929036358} H11 5729 -1 1 {} H 0.0 {0.682130198256 0.559673480971 0.630460351575} H12 5730 -1 1 {} H 0.0 {0.671737948361 0.591048451321 0.624662326171} H13 5731 -1 1 {} H 0.0 {0.686881548768 0.58342758916 0.622536093011} H14 5732 -1 1 {} H 0.0 {0.677879180343 0.527694884665 0.666193425703} H15 5733 -1 1 {} H 0.0 {0.685479677303 0.553489581341 0.654893084} H16 5734 -1 1 {} H 0.0 {0.683266314933 0.565088107648 0.668209992839} H17 5735 -1 1 {} H 0.0 {0.67323866551 0.56630948764 0.653606808217} H18 5736 -1 1 {} H 0.0 {0.649416542318 0.533672262546 0.657244701887} H19 5737 -1 1 {} H 0.0 {0.649315568769 0.606771090174 0.656086509997} H20 5738 -1 1 {} H 0.0 {0.666255536698 0.607931802472 0.658617147834} H21 5739 -1 1 {} H 0.0 {0.644689241879 0.577994350156 0.682935474299} H22 5740 -1 14 {} Si 0.0 {0.272134201044 0.665453115406 0.318351750184} Si1 5741 -1 8 {} O 0.0 {0.282077017334 0.653137653303 0.308915771106} O1 5742 -1 14 {} Si 0.0 {0.274471464764 0.636412871346 0.310582053323} Si2 5743 -1 8 {} O 0.0 {0.72110796519 0.634426065253 0.298148200549} O2 5744 -1 14 {} Si 0.0 {0.705362311424 0.630170043779 0.306751929455} Si3 5745 -1 7 {} N 0.0 {0.694315425561 0.620397942298 0.29528055997} N1 5746 -1 14 {} Si 0.0 {0.677571496963 0.619084550143 0.303396423051} Si4 5747 -1 14 {} Si 0.0 {0.701164176157 0.603088684146 0.294308598679} Si5 5748 -1 7 {} N 0.0 {0.664980246733 0.613585134629 0.290876110439} N2 5749 -1 7 {} N 0.0 {0.672554908338 0.635596367947 0.310270356233} N3 5750 -1 7 {} N 0.0 {0.678392211384 0.606643896058 0.31717549517} N4 5751 -1 7 {} N 0.0 {0.719616381817 0.603729770351 0.292145776495} N5 5752 -1 7 {} N 0.0 {0.697079721423 0.593970215877 0.309985810472} N6 5753 -1 7 {} N 0.0 {0.69354780533 0.594198486059 0.279853842936} N7 5754 -1 8 {} O 0.0 {0.718505471113 0.671566315175 0.307788651175} O3 5755 -1 6 {} C 0.0 {0.28308550793 0.679933219008 0.323340421645} C1 5756 -1 8 {} O 0.0 {0.725347364567 0.657519734155 0.333447134863} O4 5757 -1 7 {} N 0.0 {0.696755762767 0.645837795925 0.311808949053} N8 5758 -1 8 {} O 0.0 {0.709069897701 0.620126522549 0.321707723602} O5 5759 -1 1 {} H 0.0 {0.729221974213 0.634912331127 0.323745231759} H1 5760 -1 1 {} H 0.0 {0.284464870959 0.626425341906 0.308364136614} H2 5761 -1 1 {} H 0.0 {0.659195077585 0.62214656999 0.288252031143} H3 5762 -1 1 {} H 0.0 {0.658317083036 0.606839176606 0.2959704442} H4 5763 -1 1 {} H 0.0 {0.678460713132 0.642980199173 0.30539741115} H5 5764 -1 1 {} H 0.0 {0.675477903164 0.635642488759 0.320626796095} H6 5765 -1 1 {} H 0.0 {0.673036680611 0.598013500898 0.313960314617} H7 5766 -1 1 {} H 0.0 {0.672860815057 0.610792389534 0.325411227381} H8 5767 -1 1 {} H 0.0 {0.723425622902 0.594101797309 0.294698330497} H9 5768 -1 1 {} H 0.0 {0.723356179851 0.610560907289 0.29955932671} H10 5769 -1 1 {} H 0.0 {0.695034292349 0.60128779389 0.317448721819} H11 5770 -1 1 {} H 0.0 {0.706063548356 0.58891142808 0.313043844092} H12 5771 -1 1 {} H 0.0 {0.686459607971 0.587274467696 0.283783119586} H13 5772 -1 1 {} H 0.0 {0.701378364327 0.588340788343 0.275360136416} H14 5773 -1 1 {} H 0.0 {0.720647345148 0.681335333078 0.304587616379} H15 5774 -1 1 {} H 0.0 {0.284250112291 0.68669955782 0.314871362638} H16 5775 -1 1 {} H 0.0 {0.292867698214 0.676219941347 0.326393801642} H17 5776 -1 1 {} H 0.0 {0.278476158639 0.685283122742 0.331650779574} H18 5777 -1 1 {} H 0.0 {0.272770582889 0.652074290809 0.338299544816} H19 5778 -1 1 {} H 0.0 {0.688602211841 0.643088680807 0.318053600246} H20 5779 -1 1 {} H 0.0 {0.692501141775 0.650032027806 0.302871984927} H21 5780 -1 1 {} H 0.0 {0.718343080845 0.615361355002 0.320494648335} H22 5781 -1 14 {} Si 0.0 {0.326563146624 0.430531264254 0.667502650589} Si1 5782 -1 8 {} O 0.0 {0.332025500693 0.447241607949 0.675611067805} O1 5783 -1 14 {} Si 0.0 {0.339441528662 0.448259405598 0.693751959927} Si2 5784 -1 8 {} O 0.0 {0.357827608748 0.444735790556 0.693647230533} O2 5785 -1 14 {} Si 0.0 {0.364426748331 0.440537208758 0.250754558664} Si3 5786 -1 7 {} N 0.0 {0.383310405814 0.437354257294 0.250524679011} N1 5787 -1 14 {} Si 0.0 {0.390992587165 0.447783834247 0.697395775997} Si4 5788 -1 14 {} Si 0.0 {0.387455529804 0.419296086904 0.706304405804} Si5 5789 -1 7 {} N 0.0 {0.383797361655 0.443175382865 0.680914625822} N2 5790 -1 7 {} N 0.0 {0.409384976167 0.444811607605 0.697144144504} N3 5791 -1 7 {} N 0.0 {0.387701230461 0.465703964105 0.700900929674} N4 5792 -1 7 {} N 0.0 {0.405939204122 0.417737314393 0.704482834131} N5 5793 -1 7 {} N 0.0 {0.381852706325 0.407705172096 0.259686369302} N6 5794 -1 7 {} N 0.0 {0.379616496506 0.414413823453 0.690220663957} N7 5795 -1 8 {} O 0.0 {0.338729097852 0.417306249646 0.669579181242} O3 5796 -1 6 {} C 0.0 {0.323549917139 0.434137336466 0.648971446927} C1 5797 -1 8 {} O 0.0 {0.31057033483 0.424028036312 0.674829039545} O4 5798 -1 7 {} N 0.0 {0.355717724476 0.425711907831 0.25799465719} N8 5799 -1 8 {} O 0.0 {0.361161036833 0.454911134797 0.261764953893} O5 5800 -1 1 {} H 0.0 {0.332822044906 0.439602785493 0.703168121478} H1 5801 -1 1 {} H 0.0 {0.337657340358 0.461715222054 0.698265554535} H2 5802 -1 1 {} H 0.0 {0.390087895919 0.435649563519 0.67672843023} H3 5803 -1 1 {} H 0.0 {0.38477055915 0.451825397409 0.674610486536} H4 5804 -1 1 {} H 0.0 {0.410896999392 0.434264537849 0.697432422573} H5 5805 -1 1 {} H 0.0 {0.413277713622 0.448709797089 0.706391529399} H6 5806 -1 1 {} H 0.0 {0.378651144553 0.468274984427 0.695932137027} H7 5807 -1 1 {} H 0.0 {0.395543348617 0.471268613673 0.69607430961} H8 5808 -1 1 {} H 0.0 {0.408053517595 0.417134017547 0.694044264668} H9 5809 -1 1 {} H 0.0 {0.408680853524 0.408221489139 0.708707623641} H10 5810 -1 1 {} H 0.0 {0.390442263071 0.405337004622 0.265509192839} H11 5811 -1 1 {} H 0.0 {0.378881947128 0.398511906711 0.254884687379} H12 5812 -1 1 {} H 0.0 {0.379328673283 0.403740618096 0.689952526108} H13 5813 -1 1 {} H 0.0 {0.386458917322 0.417449501975 0.682464612533} H14 5814 -1 1 {} H 0.0 {0.340275253529 0.412168164491 0.660522309974} H15 5815 -1 1 {} H 0.0 {0.331755863648 0.440079198893 0.645150211594} H16 5816 -1 1 {} H 0.0 {0.314180198176 0.439721400346 0.647917575165} H17 5817 -1 1 {} H 0.0 {0.322814867124 0.424899188279 0.643330040669} H18 5818 -1 1 {} H 0.0 {0.309015115512 0.41411610477 0.671757882536} H19 5819 -1 1 {} H 0.0 {0.36301076711 0.419902039092 0.263162042753} H20 5820 -1 1 {} H 0.0 {0.352318671224 0.419804895835 0.249889244424} H21 5821 -1 1 {} H 0.0 {0.362144391686 0.463787883549 0.256300411174} H22 5822 -1 14 {} Si 0.0 {0.647015395392 0.537961262044 0.319179783554} Si1 5823 -1 8 {} O 0.0 {0.643993959848 0.522814012504 0.30916941987} O1 5824 -1 14 {} Si 0.0 {0.660029589738 0.514892108432 0.304624813712} Si2 5825 -1 8 {} O 0.0 {0.670700481877 0.526932307051 0.295406338761} O2 5826 -1 14 {} Si 0.0 {0.688510185412 0.523583039497 0.299142448205} Si3 5827 -1 7 {} N 0.0 {0.699462975698 0.534729156486 0.288823363871} N1 5828 -1 14 {} Si 0.0 {0.707067805458 0.524721460409 0.274916521549} Si4 5829 -1 14 {} Si 0.0 {0.713514723294 0.540121913402 0.299739456339} Si5 5830 -1 7 {} N 0.0 {0.702639606595 0.506740344926 0.276647634853} N2 5831 -1 7 {} N 0.0 {0.72554367056 0.526527904251 0.275560646361} N3 5832 -1 7 {} N 0.0 {0.700951983782 0.531103543729 0.258532171269} N4 5833 -1 7 {} N 0.0 {0.728306335579 0.529328578892 0.296469373339} N5 5834 -1 7 {} N 0.0 {0.717821705714 0.557814279509 0.296052337788} N6 5835 -1 7 {} N 0.0 {0.708524116902 0.538518568441 0.317573950664} N7 5836 -1 8 {} O 0.0 {0.645333525547 0.533982876421 0.337077343064} O3 5837 -1 6 {} C 0.0 {0.634384482113 0.551089111683 0.314506323987} C1 5838 -1 8 {} O 0.0 {0.663970404363 0.544257593803 0.315849058615} O4 5839 -1 7 {} N 0.0 {0.692469197689 0.505793091554 0.295533910862} N8 5840 -1 8 {} O 0.0 {0.691577473731 0.527007424799 0.316952110609} O5 5841 -1 1 {} H 0.0 {0.657419231887 0.503525107218 0.296316231502} H1 5842 -1 1 {} H 0.0 {0.666782049612 0.510630024327 0.316478368972} H2 5843 -1 1 {} H 0.0 {0.711730019289 0.501407235972 0.278266974544} H3 5844 -1 1 {} H 0.0 {0.69890916469 0.503555202408 0.267054203073} H4 5845 -1 1 {} H 0.0 {0.728060492535 0.535167899833 0.269847428458} H5 5846 -1 1 {} H 0.0 {0.729649822984 0.518079040968 0.270313639383} H6 5847 -1 1 {} H 0.0 {0.703326425342 0.523751482562 0.251186911511} H7 5848 -1 1 {} H 0.0 {0.706877662821 0.539783612154 0.256194838496} H8 5849 -1 1 {} H 0.0 {0.731133807095 0.524937801825 0.305755750937} H9 5850 -1 1 {} H 0.0 {0.276212087993 0.535884079443 0.293606363217} H10 5851 -1 1 {} H 0.0 {0.721833316213 0.558092648058 0.286185118487} H11 5852 -1 1 {} H 0.0 {0.725853176321 0.560476097786 0.302698069848} H12 5853 -1 1 {} H 0.0 {0.709719063222 0.548106063451 0.322060951782} H13 5854 -1 1 {} H 0.0 {0.715751926012 0.532038158324 0.322225666606} H14 5855 -1 1 {} H 0.0 {0.637943563327 0.540124340885 0.341338226707} H15 5856 -1 1 {} H 0.0 {0.625323651421 0.549678203854 0.320409284323} H16 5857 -1 1 {} H 0.0 {0.631985387832 0.5502068562 0.303910176873} H17 5858 -1 1 {} H 0.0 {0.638508173136 0.56097733112 0.316488696734} H18 5859 -1 1 {} H 0.0 {0.663686528595 0.554708573902 0.314924109987} H19 5860 -1 1 {} H 0.0 {0.68457500463 0.501954315347 0.289513819272} H20 5861 -1 1 {} H 0.0 {0.691975703846 0.500567638791 0.304935013221} H21 5862 -1 1 {} H 0.0 {0.686148440691 0.535537726445 0.319841687523} H22 5863 -1 14 {} Si 0.0 {0.337279909087 0.448366773782 0.380109785041} Si1 5864 -1 8 {} O 0.0 {0.328237505498 0.436239206452 0.369678354178} O1 5865 -1 14 {} Si 0.0 {0.340281687211 0.424150580531 0.362881115909} Si2 5866 -1 8 {} O 0.0 {0.331302559176 0.409913345071 0.355282174282} O2 5867 -1 14 {} Si 0.0 {0.321836549668 0.400380397019 0.368041941893} Si3 5868 -1 7 {} N 0.0 {0.31699288192 0.383885406239 0.360675907908} N1 5869 -1 14 {} Si 0.0 {0.305666693987 0.374904443071 0.37249973899} Si4 5870 -1 14 {} Si 0.0 {0.332478253718 0.373680999456 0.35914794615} Si5 5871 -1 7 {} N 0.0 {0.307864697112 0.356576289863 0.370169898968} N2 5872 -1 7 {} N 0.0 {0.287985812826 0.379435144866 0.368899277137} N3 5873 -1 7 {} N 0.0 {0.309784097625 0.379411431177 0.390061357342} N4 5874 -1 7 {} N 0.0 {0.339916631758 0.376162615846 0.342276016215} N5 5875 -1 7 {} N 0.0 {0.344667377137 0.378839605226 0.372182440333} N6 5876 -1 7 {} N 0.0 {0.32827626337 0.355750121535 0.361462442515} N7 5877 -1 8 {} O 0.0 {0.34679945834 0.45987617948 0.369362431728} O3 5878 -1 6 {} C 0.0 {0.349084156137 0.439141741551 0.391376933673} C1 5879 -1 8 {} O 0.0 {0.325289916084 0.457919467266 0.390275849538} O4 5880 -1 7 {} N 0.0 {0.306564397201 0.40984411558 0.372785408255} N8 5881 -1 8 {} O 0.0 {0.332286823738 0.397714354916 0.382977403596} O5 5882 -1 1 {} H 0.0 {0.348792333434 0.419475262752 0.373384880471} H1 5883 -1 1 {} H 0.0 {0.34823525703 0.430578332757 0.352873210055} H2 5884 -1 1 {} H 0.0 {0.298557814003 0.352681681678 0.366747200161} H3 5885 -1 1 {} H 0.0 {0.309535576874 0.352392832922 0.379934568193} H4 5886 -1 1 {} H 0.0 {0.288132106321 0.387498959825 0.361952020271} H5 5887 -1 1 {} H 0.0 {0.283869816408 0.383334604024 0.378045733175} H6 5888 -1 1 {} H 0.0 {0.319261252357 0.375089219099 0.392292673097} H7 5889 -1 1 {} H 0.0 {0.302579943451 0.374365252625 0.396296125175} H8 5890 -1 1 {} H 0.0 {0.348444835748 0.369818489986 0.34161433076} H9 5891 -1 1 {} H 0.0 {0.343582808271 0.386260099858 0.341962682889} H10 5892 -1 1 {} H 0.0 {0.353537370741 0.373149483191 0.370654232141} H11 5893 -1 1 {} H 0.0 {0.340596733147 0.375688421145 0.381638122505} H12 5894 -1 1 {} H 0.0 {0.32758774576 0.354008753495 0.371952617945} H13 5895 -1 1 {} H 0.0 {0.336757280795 0.350132155098 0.357978392779} H14 5896 -1 1 {} H 0.0 {0.354616953356 0.454635058096 0.364701614659} H15 5897 -1 1 {} H 0.0 {0.35284491609 0.430292343075 0.386242026097} H16 5898 -1 1 {} H 0.0 {0.34382109081 0.436131831201 0.400357193079} H17 5899 -1 1 {} H 0.0 {0.357428157093 0.445630851586 0.394040417665} H18 5900 -1 1 {} H 0.0 {0.328834312412 0.467719378622 0.39155361806} H19 5901 -1 1 {} H 0.0 {0.298733662214 0.40274868412 0.374098146848} H20 5902 -1 1 {} H 0.0 {0.303879887603 0.415832868178 0.364261512212} H21 5903 -1 1 {} H 0.0 {0.334345745726 0.406970804816 0.38751063915} H22 5904 -1 14 {} Si 0.0 {0.681193859267 0.486765150009 0.693154468606} Si1 5905 -1 8 {} O 0.0 {0.687200174242 0.504185628588 0.691426359381} O1 5906 -1 14 {} Si 0.0 {0.69594388409 0.50667975062 0.675206308008} Si2 5907 -1 8 {} O 0.0 {0.692539847152 0.492719715424 0.663763226119} O2 5908 -1 14 {} Si 0.0 {0.708369167908 0.486217875537 0.656636683518} Si3 5909 -1 7 {} N 0.0 {0.705294008942 0.468922126795 0.650463017216} N1 5910 -1 14 {} Si 0.0 {0.719964950402 0.463235612176 0.640204209847} Si4 5911 -1 14 {} Si 0.0 {0.691167363316 0.470230370142 0.638875914064} Si5 5912 -1 7 {} N 0.0 {0.713968462198 0.456812926018 0.623802329842} N2 5913 -1 7 {} N 0.0 {0.728739533535 0.449475719702 0.648937855778} N3 5914 -1 7 {} N 0.0 {0.271576182605 0.477351022947 0.637353502162} N4 5915 -1 7 {} N 0.0 {0.685100674327 0.453083680343 0.634717613133} N5 5916 -1 7 {} N 0.0 {0.677520973886 0.48040227748 0.646527885123} N6 5917 -1 7 {} N 0.0 {0.697197759755 0.47873081461 0.623552312447} N7 5918 -1 8 {} O 0.0 {0.694768180325 0.475042423016 0.688219717895} O3 5919 -1 6 {} C 0.0 {0.666077098297 0.484291184252 0.681749192733} C1 5920 -1 8 {} O 0.0 {0.676708917383 0.483461979392 0.250809902755} O4 5921 -1 7 {} N 0.0 {0.721545070332 0.486039446687 0.669687100313} N8 5922 -1 8 {} O 0.0 {0.71369538553 0.496926046432 0.642617577681} O5 5923 -1 1 {} H 0.0 {0.710026444779 0.507585464449 0.677504545905} H1 5924 -1 1 {} H 0.0 {0.691305722279 0.518805256276 0.669194738599} H2 5925 -1 1 {} H 0.0 {0.707966883339 0.448222826542 0.625769443686} H3 5926 -1 1 {} H 0.0 {0.722638366571 0.453307749625 0.61849310885} H4 5927 -1 1 {} H 0.0 {0.721431841295 0.444187580819 0.654620785326} H5 5928 -1 1 {} H 0.0 {0.275282314619 0.454066240304 0.655961102964} H6 5929 -1 1 {} H 0.0 {0.725848466484 0.485866823737 0.634811663505} H7 5930 -1 1 {} H 0.0 {0.277306252133 0.474849104482 0.628574704625} H8 5931 -1 1 {} H 0.0 {0.677824956692 0.45412743344 0.627216292676} H9 5932 -1 1 {} H 0.0 {0.680086202666 0.449277224003 0.643380469642} H10 5933 -1 1 {} H 0.0 {0.678941598457 0.480219368306 0.657062960238} H11 5934 -1 1 {} H 0.0 {0.668276570964 0.475256539022 0.644566535519} H12 5935 -1 1 {} H 0.0 {0.693922272276 0.488828705972 0.623948402762} H13 5936 -1 1 {} H 0.0 {0.692148002099 0.474075138222 0.61532435756} H14 5937 -1 1 {} H 0.0 {0.691303577524 0.468397032279 0.680841829316} H15 5938 -1 1 {} H 0.0 {0.669503038405 0.48260677245 0.671546323968} H16 5939 -1 1 {} H 0.0 {0.659830815994 0.493214235518 0.682031901946} H17 5940 -1 1 {} H 0.0 {0.660232231238 0.475651459093 0.685042960321} H18 5941 -1 1 {} H 0.0 {0.667128807241 0.47928636601 0.251496020825} H19 5942 -1 1 {} H 0.0 {0.730367334031 0.49011355129 0.665310148122} H20 5943 -1 1 {} H 0.0 {0.723661518483 0.475717123221 0.671784324009} H21 5944 -1 1 {} H 0.0 {0.711905462049 0.506994548113 0.645021741523} H22 5945 -1 14 {} Si 0.0 {0.591328997803 0.524191801992 0.542670316983} Si1 5946 -1 8 {} O 0.0 {0.599667078103 0.50897373971 0.54862087837} O1 5947 -1 14 {} Si 0.0 {0.598458107715 0.496121412819 0.535590269564} Si2 5948 -1 8 {} O 0.0 {0.612457602939 0.484350704261 0.537185460965} O2 5949 -1 14 {} Si 0.0 {0.605847771597 0.467306996935 0.535855943041} Si3 5950 -1 7 {} N 0.0 {0.61929417506 0.45496167149 0.539187430378} N1 5951 -1 14 {} Si 0.0 {0.61804085567 0.442145734819 0.525764000921} Si4 5952 -1 14 {} Si 0.0 {0.615059402977 0.446502529562 0.555167023484} Si5 5953 -1 7 {} N 0.0 {0.632513643052 0.443752651646 0.514219901179} N2 5954 -1 7 {} N 0.0 {0.602255763629 0.444742950905 0.516306982107} N3 5955 -1 7 {} N 0.0 {0.617940514662 0.425160446713 0.533304423618} N4 5956 -1 7 {} N 0.0 {0.625081850563 0.430930653981 0.556751002992} N5 5957 -1 7 {} N 0.0 {0.618833747638 0.457800471864 0.569465970421} N6 5958 -1 7 {} N 0.0 {0.596959501865 0.442286953304 0.555200150501} N7 5959 -1 8 {} O 0.0 {0.582568425129 0.520539529619 0.526927646742} O3 5960 -1 6 {} C 0.0 {0.604162986958 0.537563806835 0.539689194226} C1 5961 -1 8 {} O 0.0 {0.579200579004 0.529910326394 0.55526868744} O4 5962 -1 7 {} N 0.0 {0.599224049428 0.464625239079 0.51873181331} N8 5963 -1 8 {} O 0.0 {0.592274389916 0.465094055591 0.548056097882} O5 5964 -1 1 {} H 0.0 {0.598873173538 0.502334899732 0.52271908416} H1 5965 -1 1 {} H 0.0 {0.586122790026 0.489031738146 0.53705121316} H2 5966 -1 1 {} H 0.0 {0.63377330964 0.434327187434 0.509414067815} H3 5967 -1 1 {} H 0.0 {0.641212233284 0.445243220211 0.52036764916} H4 5968 -1 1 {} H 0.0 {0.595677776865 0.436774533047 0.518878772151} H5 5969 -1 1 {} H 0.0 {0.604649999003 0.443511782643 0.50589751323} H6 5970 -1 1 {} H 0.0 {0.626914735415 0.42414419234 0.538934762891} H7 5971 -1 1 {} H 0.0 {0.618627581836 0.418170336655 0.525148385369} H8 5972 -1 1 {} H 0.0 {0.621382942902 0.425641107134 0.565220868698} H9 5973 -1 1 {} H 0.0 {0.635121534787 0.433958975898 0.559171731835} H10 5974 -1 1 {} H 0.0 {0.626472038603 0.464505713782 0.566279327166} H11 5975 -1 1 {} H 0.0 {0.623164181277 0.451667319537 0.577183695302} H12 5976 -1 1 {} H 0.0 {0.592264131083 0.448569208114 0.562406414995} H13 5977 -1 1 {} H 0.0 {0.596140282023 0.432227587757 0.558900161152} H14 5978 -1 1 {} H 0.0 {0.588996186883 0.522453228382 0.518848418609} H15 5979 -1 1 {} H 0.0 {0.60569753543 0.538789568925 0.528965157344} H16 5980 -1 1 {} H 0.0 {0.613563589099 0.534686460375 0.544396374727} H17 5981 -1 1 {} H 0.0 {0.600682888275 0.546959012279 0.543960268746} H18 5982 -1 1 {} H 0.0 {0.583201172879 0.538070378346 0.56050986752} H19 5983 -1 1 {} H 0.0 {0.591531801295 0.457286169778 0.519446146717} H20 5984 -1 1 {} H 0.0 {0.607194264068 0.460183800668 0.51301606323} H21 5985 -1 1 {} H 0.0 {0.583686631209 0.470095286557 0.544647040815} H22 5986 -1 14 {} Si 0.0 {0.500130965012 0.419305702766 0.591152409413} Si1 5987 -1 8 {} O 0.0 {0.506020191788 0.403857289501 0.600179409654} O1 5988 -1 14 {} Si 0.0 {0.523688340098 0.400279032977 0.594820098653} Si2 5989 -1 8 {} O 0.0 {0.534434678292 0.395888822198 0.609285410918} O2 5990 -1 14 {} Si 0.0 {0.548432986535 0.408034845437 0.611182967089} Si3 5991 -1 7 {} N 0.0 {0.557211261983 0.40968912688 0.595070151497} N1 5992 -1 14 {} Si 0.0 {0.553047407929 0.42660468885 0.588090597427} Si4 5993 -1 14 {} Si 0.0 {0.54997954999 0.396409370835 0.584255573114} Si5 5994 -1 7 {} N 0.0 {0.564424270705 0.430590759025 0.57393561221} N2 5995 -1 7 {} N 0.0 {0.555294874712 0.439439393406 0.601417280583} N3 5996 -1 7 {} N 0.0 {0.535475246785 0.426982847575 0.582155142569} N4 5997 -1 7 {} N 0.0 {0.542418257515 0.38337473483 0.595237912645} N5 5998 -1 7 {} N 0.0 {0.537013789924 0.403495016409 0.573091464227} N6 5999 -1 7 {} N 0.0 {0.563355452957 0.388665298243 0.574093593581} N7 6000 -1 8 {} O 0.0 {0.514989914749 0.428450753696 0.585187762788} O3 6001 -1 6 {} C 0.0 {0.490170103876 0.43031412241 0.602761343993} C1 6002 -1 8 {} O 0.0 {0.489945668906 0.414563005507 0.57655909035} O4 6003 -1 7 {} N 0.0 {0.560314844585 0.40163245325 0.623897150832} N8 6004 -1 8 {} O 0.0 {0.542053544831 0.424542307647 0.616471183479} O5 6005 -1 1 {} H 0.0 {0.529106889331 0.411814230306 0.588359569494} H1 6006 -1 1 {} H 0.0 {0.523554136912 0.389345117709 0.585619856536} H2 6007 -1 1 {} H 0.0 {0.561910639823 0.440399055258 0.570541304313} H3 6008 -1 1 {} H 0.0 {0.561901657438 0.423860970242 0.565955298901} H4 6009 -1 1 {} H 0.0 {0.556161752181 0.434268566872 0.61069180551} H5 6010 -1 1 {} H 0.0 {0.546128273994 0.445070263501 0.601885846512} H6 6011 -1 1 {} H 0.0 {0.535309474306 0.422354184214 0.572601580622} H7 6012 -1 1 {} H 0.0 {0.532988451759 0.437352482974 0.580571537379} H8 6013 -1 1 {} H 0.0 {0.54907084387 0.375057376593 0.595306310996} H9 6014 -1 1 {} H 0.0 {0.533448805293 0.380044569377 0.590422317836} H10 6015 -1 1 {} H 0.0 {0.527661510598 0.399562797232 0.576233931542} H11 6016 -1 1 {} H 0.0 {0.538878831599 0.399441329728 0.563308785432} H12 6017 -1 1 {} H 0.0 {0.561191646066 0.378239660478 0.573483251906} H13 6018 -1 1 {} H 0.0 {0.572430859622 0.389577164676 0.57976590265} H14 6019 -1 1 {} H 0.0 {0.512516245764 0.433966137906 0.576634522617} H15 6020 -1 1 {} H 0.0 {0.492430289547 0.440761738362 0.60069417134} H16 6021 -1 1 {} H 0.0 {0.492783705047 0.428025566004 0.613095931132} H17 6022 -1 1 {} H 0.0 {0.479536758588 0.428563762572 0.601215374103} H18 6023 -1 1 {} H 0.0 {0.490524099428 0.422164306216 0.569316311053} H19 6024 -1 1 {} H 0.0 {0.563430160186 0.409933742455 0.629749459009} H20 6025 -1 1 {} H 0.0 {0.554667848884 0.395212590965 0.630418268411} H21 6026 -1 1 {} H 0.0 {0.540130141596 0.430457706742 0.608001424711} H22 6027 -1 14 {} Si 0.0 {0.636850593101 0.399555961924 0.635244992708} Si1 6028 -1 8 {} O 0.0 {0.654590668096 0.404241694373 0.634779972593} O1 6029 -1 14 {} Si 0.0 {0.664853923911 0.38940946925 0.631540800611} Si2 6030 -1 8 {} O 0.0 {0.660565554777 0.382421546826 0.615180219649} O2 6031 -1 14 {} Si 0.0 {0.655087590445 0.365063635255 0.617346589112} Si3 6032 -1 7 {} N 0.0 {0.668444509654 0.355105565799 0.625682123147} N1 6033 -1 14 {} Si 0.0 {0.660805574371 0.3388194504 0.629860888566} Si4 6034 -1 14 {} Si 0.0 {0.673150392816 0.363295288103 0.641931242457} Si5 6035 -1 7 {} N 0.0 {0.672329100233 0.325150111574 0.62488893088} N2 6036 -1 7 {} N 0.0 {0.644795381773 0.337115265598 0.620596845684} N3 6037 -1 7 {} N 0.0 {0.657526286329 0.338051124097 0.648144032884} N4 6038 -1 7 {} N 0.0 {0.681339525478 0.379631724107 0.638681063601} N5 6039 -1 7 {} N 0.0 {0.658053173081 0.365838887901 0.652513381198} N6 6040 -1 7 {} N 0.0 {0.685146909436 0.352328233464 0.650970688653} N7 6041 -1 8 {} O 0.0 {0.634646545576 0.382867848155 0.627823045647} O3 6042 -1 6 {} C 0.0 {0.626896407845 0.412149639224 0.625480456172} C1 6043 -1 8 {} O 0.0 {0.631074481044 0.399302949558 0.652710619598} O4 6044 -1 7 {} N 0.0 {0.651563504957 0.35759223286 0.600667619489} N8 6045 -1 8 {} O 0.0 {0.639776884581 0.364614522236 0.627543160999} O5 6046 -1 1 {} H 0.0 {0.662408219666 0.379640814155 0.641659358359} H1 6047 -1 1 {} H 0.0 {0.678654102687 0.393089263904 0.631638896476} H2 6048 -1 1 {} H 0.0 {0.666506838197 0.31631155376 0.623823055363} H3 6049 -1 1 {} H 0.0 {0.678935784648 0.323510986672 0.633203062158} H4 6050 -1 1 {} H 0.0 {0.640747288153 0.346916024067 0.619481952702} H5 6051 -1 1 {} H 0.0 {0.638070155534 0.331744362556 0.627025055179} H6 6052 -1 1 {} H 0.0 {0.664572200052 0.331281363657 0.652345954757} H7 6053 -1 1 {} H 0.0 {0.647834655242 0.333540906109 0.649350843598} H8 6054 -1 1 {} H 0.0 {0.691877184416 0.377938322185 0.638706810673} H9 6055 -1 1 {} H 0.0 {0.679238689565 0.385881492082 0.647193084836} H10 6056 -1 1 {} H 0.0 {0.650763104351 0.370775828296 0.646541887843} H11 6057 -1 1 {} H 0.0 {0.66087268584 0.37276545182 0.66028153798} H12 6058 -1 1 {} H 0.0 {0.683003949834 0.35317094263 0.661366016564} H13 6059 -1 1 {} H 0.0 {0.694932281296 0.356580576066 0.649501602606} H14 6060 -1 1 {} H 0.0 {0.63839907684 0.382880104522 0.618023505844} H15 6061 -1 1 {} H 0.0 {0.628149163655 0.410288390196 0.614811737008} H16 6062 -1 1 {} H 0.0 {0.630428349377 0.422189134222 0.627847066388} H17 6063 -1 1 {} H 0.0 {0.616360717072 0.411290512426 0.62810747742} H18 6064 -1 1 {} H 0.0 {0.621773848977 0.404092882465 0.653380491506} H19 6065 -1 1 {} H 0.0 {0.641253597079 0.354922180653 0.600506838817} H20 6066 -1 1 {} H 0.0 {0.657113856828 0.348375269029 0.600185897368} H21 6067 -1 1 {} H 0.0 {0.631681805975 0.361590126488 0.621547440463} H22 6068 -1 14 {} Si 0.0 {0.532321794922 0.504345052806 0.681055708291} Si1 6069 -1 8 {} O 0.0 {0.517918180064 0.493089369551 0.67989708172} O1 6070 -1 14 {} Si 0.0 {0.522572707507 0.477022370125 0.68754020102} Si2 6071 -1 8 {} O 0.0 {0.534901752143 0.480066912046 0.700915388495} O2 6072 -1 14 {} Si 0.0 {0.55153534419 0.473940418588 0.69576678942} Si3 6073 -1 7 {} N 0.0 {0.564696987234 0.485653449018 0.701924831493} N1 6074 -1 14 {} Si 0.0 {0.557103564352 0.496153492873 0.25521913416} Si4 6075 -1 14 {} Si 0.0 {0.569353789279 0.496897191704 0.687691827956} Si5 6076 -1 7 {} N 0.0 {0.569141210769 0.497827477873 0.269287554643} N2 6077 -1 7 {} N 0.0 {0.54153693058 0.488065401793 0.261429100642} N3 6078 -1 7 {} N 0.0 {0.553075208703 0.513004403841 0.708637998708} N4 6079 -1 7 {} N 0.0 {0.585449401083 0.505391006537 0.691436158619} N5 6080 -1 7 {} N 0.0 {0.571235458247 0.486710467719 0.672237448186} N6 6081 -1 7 {} N 0.0 {0.556101070235 0.509738063006 0.685097453745} N7 6082 -1 8 {} O 0.0 {0.530642660213 0.518010746753 0.668854161556} O3 6083 -1 6 {} C 0.0 {0.547829179385 0.494476227496 0.677423805297} C1 6084 -1 8 {} O 0.0 {0.533270272263 0.511306804979 0.698061772367} O4 6085 -1 7 {} N 0.0 {0.552419075355 0.472821200913 0.677232644721} N8 6086 -1 8 {} O 0.0 {0.554364561906 0.457268911737 0.702990519756} O5 6087 -1 1 {} H 0.0 {0.528287555203 0.468465919941 0.677613009817} H1 6088 -1 1 {} H 0.0 {0.510944035199 0.470821476149 0.693082259084} H2 6089 -1 1 {} H 0.0 {0.563426311038 0.499060644651 0.278201504452} H3 6090 -1 1 {} H 0.0 {0.574429664617 0.50706313966 0.267740541758} H4 6091 -1 1 {} H 0.0 {0.543126054237 0.47753284093 0.261188711574} H5 6092 -1 1 {} H 0.0 {0.533858084492 0.490176014994 0.254204193179} H6 6093 -1 1 {} H 0.0 {0.561561788438 0.519206055752 0.250262195913} H7 6094 -1 1 {} H 0.0 {0.545113715703 0.516922146007 0.25460376919} H8 6095 -1 1 {} H 0.0 {0.58451138126 0.515495613041 0.688159926578} H9 6096 -1 1 {} H 0.0 {0.592881208566 0.500817243606 0.685141394637} H10 6097 -1 1 {} H 0.0 {0.578406945026 0.479100708698 0.674328019004} H11 6098 -1 1 {} H 0.0 {0.575659032768 0.493126810076 0.664823723404} H12 6099 -1 1 {} H 0.0 {0.557576192367 0.513894363666 0.675374165569} H13 6100 -1 1 {} H 0.0 {0.558059462762 0.51764654488 0.692096130876} H14 6101 -1 1 {} H 0.0 {0.524767523141 0.514785851223 0.66078890688} H15 6102 -1 1 {} H 0.0 {0.554442316719 0.500242394377 0.671004710076} H16 6103 -1 1 {} H 0.0 {0.545079668503 0.485254169386 0.672394602636} H17 6104 -1 1 {} H 0.0 {0.552902131183 0.492144002183 0.6867742451} H18 6105 -1 1 {} H 0.0 {0.528031607253 0.505050150482 0.704685544759} H19 6106 -1 1 {} H 0.0 {0.545073307436 0.46576742117 0.674129464597} H20 6107 -1 1 {} H 0.0 {0.561991436549 0.468528411039 0.674849787938} H21 6108 -1 1 {} H 0.0 {0.547796323794 0.45580511711 0.250917692262} H22 6109 -1 14 {} Si 0.0 {0.63969484132 0.305514743615 0.380558848825} Si1 6110 -1 8 {} O 0.0 {0.65101997244 0.298034350577 0.368244426767} O1 6111 -1 14 {} Si 0.0 {0.657966497108 0.28235683083 0.374939519452} Si2 6112 -1 8 {} O 0.0 {0.659843862096 0.283392250945 0.393173271709} O2 6113 -1 14 {} Si 0.0 {0.670132066082 0.26914649456 0.398645933359} Si3 6114 -1 7 {} N 0.0 {0.658555495909 0.715434358571 0.405637869313} N1 6115 -1 14 {} Si 0.0 {0.641475008541 0.722171135404 0.408868230731} Si4 6116 -1 14 {} Si 0.0 {0.664596277537 0.707484314467 0.421854888946} Si5 6117 -1 7 {} N 0.0 {0.638489677298 0.277007816691 0.398460583459} N2 6118 -1 7 {} N 0.0 {0.63952381425 0.726561043954 0.426842792282} N3 6119 -1 7 {} N 0.0 {0.628964447458 0.709184769993 0.404463535913} N4 6120 -1 7 {} N 0.0 {0.649764851115 0.700027499116 0.43046232493} N5 6121 -1 7 {} N 0.0 {0.67647054537 0.693599910066 0.417856187065} N6 6122 -1 7 {} N 0.0 {0.673084040174 0.71992678622 0.4333057548} N7 6123 -1 8 {} O 0.0 {0.649535162632 0.312649369376 0.394340532345} O3 6124 -1 6 {} C 0.0 {0.628143856077 0.292333742136 0.387181739156} C1 6125 -1 8 {} O 0.0 {0.629821197915 0.318756774083 0.372581634344} O4 6126 -1 7 {} N 0.0 {0.68317069173 0.275377585663 0.410422867375} N8 6127 -1 8 {} O 0.0 {0.678904925944 0.722678358805 0.383842175865} O5 6128 -1 1 {} H 0.0 {0.670782113484 0.280040118359 0.369082316876} H1 6129 -1 1 {} H 0.0 {0.649208810484 0.271495189343 0.371749840666} H2 6130 -1 1 {} H 0.0 {0.628336712326 0.276516465389 0.395260173949} H3 6131 -1 1 {} H 0.0 {0.644542161356 0.275885844792 0.389644470199} H4 6132 -1 1 {} H 0.0 {0.632157847728 0.719992805261 0.430882891936} H5 6133 -1 1 {} H 0.0 {0.635273124107 0.276322670176 0.427168845594} H6 6134 -1 1 {} H 0.0 {0.623447992249 0.71283558779 0.396125455511} H7 6135 -1 1 {} H 0.0 {0.62206700228 0.708636413817 0.412695916171} H8 6136 -1 1 {} H 0.0 {0.652285933168 0.689998932286 0.432989942864} H9 6137 -1 1 {} H 0.0 {0.64190952953 0.699462489273 0.423131729574} H10 6138 -1 1 {} H 0.0 {0.671662817863 0.687267997079 0.410750407189} H11 6139 -1 1 {} H 0.0 {0.677583666746 0.687742035897 0.42682452071} H12 6140 -1 1 {} H 0.0 {0.682782019495 0.716066115574 0.435678859505} H13 6141 -1 1 {} H 0.0 {0.667687106035 0.720100199805 0.442515848694} H14 6142 -1 1 {} H 0.0 {0.650055079651 0.305723741169 0.402194194205} H15 6143 -1 1 {} H 0.0 {0.629250823108 0.291648279684 0.398008527693} H16 6144 -1 1 {} H 0.0 {0.630624433729 0.282749824034 0.382611769346} H17 6145 -1 1 {} H 0.0 {0.617860778996 0.294947485472 0.38474428842} H18 6146 -1 1 {} H 0.0 {0.61963719235 0.316289501563 0.373143699343} H19 6147 -1 1 {} H 0.0 {0.686930349132 0.267151754337 0.415920851042} H20 6148 -1 1 {} H 0.0 {0.678283156192 0.282112877524 0.417332069605} H21 6149 -1 1 {} H 0.0 {0.688512454415 0.726913797467 0.383311950084} H22 6150 -1 14 {} Si 0.0 {0.376305638535 0.657864219696 0.251390270096} Si1 6151 -1 8 {} O 0.0 {0.383455833626 0.661740468139 0.267849195648} O1 6152 -1 14 {} Si 0.0 {0.371060941796 0.670886001361 0.277833125439} Si2 6153 -1 8 {} O 0.0 {0.378175521477 0.67468306284 0.294369811815} O2 6154 -1 14 {} Si 0.0 {0.394312652583 0.68327628376 0.292277568452} Si3 6155 -1 7 {} N 0.0 {0.392521978606 0.700933096492 0.297573544415} N1 6156 -1 14 {} Si 0.0 {0.392682973349 0.70127230819 0.316185779825} Si4 6157 -1 14 {} Si 0.0 {0.375711356487 0.706436930066 0.291970655041} Si5 6158 -1 7 {} N 0.0 {0.375246769515 0.701848708159 0.322578037962} N2 6159 -1 7 {} N 0.0 {0.401941147143 0.716314262534 0.321953419079} N3 6160 -1 7 {} N 0.0 {0.40108045479 0.686012009893 0.322647321577} N4 6161 -1 7 {} N 0.0 {0.363213148171 0.703004876383 0.305293021711} N5 6162 -1 7 {} N 0.0 {0.376053880718 0.72461342101 0.288267454911} N6 6163 -1 7 {} N 0.0 {0.371095491033 0.697078167366 0.276629597232} N7 6164 -1 8 {} O 0.0 {0.36647472932 0.672233101193 0.705537089324} O3 6165 -1 6 {} C 0.0 {0.365167675451 0.642802992286 0.252851540776} C1 6166 -1 8 {} O 0.0 {0.389889800946 0.65435189388 0.699632845874} O4 6167 -1 7 {} N 0.0 {0.399389080155 0.682711048894 0.274379998522} N8 6168 -1 8 {} O 0.0 {0.407110527162 0.675038479067 0.302596456932} O5 6169 -1 1 {} H 0.0 {0.359325464455 0.662876597577 0.279408164946} H1 6170 -1 1 {} H 0.0 {0.367641625674 0.683028561901 0.271154864736} H2 6171 -1 1 {} H 0.0 {0.375623680406 0.699507557059 0.332969584564} H3 6172 -1 1 {} H 0.0 {0.369962844224 0.693778517944 0.317825593596} H4 6173 -1 1 {} H 0.0 {0.410326641135 0.71752269732 0.315479704292} H5 6174 -1 1 {} H 0.0 {0.405897333926 0.713960538704 0.331672973884} H6 6175 -1 1 {} H 0.0 {0.397688902627 0.677831994646 0.316770835346} H7 6176 -1 1 {} H 0.0 {0.397301807056 0.684401432087 0.332590410431} H8 6177 -1 1 {} H 0.0 {0.359246348449 0.693274765434 0.303471512667} H9 6178 -1 1 {} H 0.0 {0.355125298282 0.709934076434 0.303788475604} H10 6179 -1 1 {} H 0.0 {0.385775875158 0.268025925022 0.290792725991} H11 6180 -1 1 {} H 0.0 {0.369215649129 0.269148360023 0.295127467168} H12 6181 -1 1 {} H 0.0 {0.376883278782 0.701059044909 0.268626691607} H13 6182 -1 1 {} H 0.0 {0.360838641883 0.699488193222 0.274500994745} H14 6183 -1 1 {} H 0.0 {0.361532652893 0.676706514983 0.253521577436} H15 6184 -1 1 {} H 0.0 {0.354836151411 0.645728126711 0.250986180338} H16 6185 -1 1 {} H 0.0 {0.366005938522 0.638629921497 0.262890166943} H17 6186 -1 1 {} H 0.0 {0.368204282018 0.635317027581 0.705669823544} H18 6187 -1 1 {} H 0.0 {0.390201822853 0.644054637995 0.697645076544} H19 6188 -1 1 {} H 0.0 {0.409853075402 0.684694858344 0.273982797995} H20 6189 -1 1 {} H 0.0 {0.394524449359 0.691000397228 0.269537903807} H21 6190 -1 1 {} H 0.0 {0.402921599417 0.666703343497 0.307332844244} H22 6191 -1 14 {} Si 0.0 {0.555862543773 0.382594182099 0.354476015282} Si1 6192 -1 8 {} O 0.0 {0.566590432599 0.388017024939 0.36843849018} O1 6193 -1 14 {} Si 0.0 {0.560312833386 0.381297486663 0.384413139853} Si2 6194 -1 8 {} O 0.0 {0.557369845025 0.395194798063 0.3958178834} O2 6195 -1 14 {} Si 0.0 {0.542995159194 0.404743304022 0.389859381662} Si3 6196 -1 7 {} N 0.0 {0.548868906158 0.419641042319 0.380452503311} N1 6197 -1 14 {} Si 0.0 {0.534920364388 0.424477047909 0.369149330438} Si4 6198 -1 14 {} Si 0.0 {0.56346805988 0.414542254923 0.369797102727} Si5 6199 -1 7 {} N 0.0 {0.540756955407 0.424506765322 0.351533754686} N2 6200 -1 7 {} N 0.0 {0.528865430655 0.44144442661 0.37373505527} N3 6201 -1 7 {} N 0.0 {0.521017681853 0.412253978451 0.371057200867} N4 6202 -1 7 {} N 0.0 {0.557780492852 0.403286815865 0.356269089209} N5 6203 -1 7 {} N 0.0 {0.571097908926 0.429650196337 0.362169367884} N6 6204 -1 7 {} N 0.0 {0.576258718881 0.405828690422 0.380188681082} N7 6205 -1 8 {} O 0.0 {0.545501441414 0.396603891711 0.348565015428} O3 6206 -1 6 {} C 0.0 {0.544681722241 0.368819517518 0.360040377793} C1 6207 -1 8 {} O 0.0 {0.566463327473 0.37659213329 0.34076199607} O4 6208 -1 7 {} N 0.0 {0.532713308542 0.410253880055 0.404364588286} N8 6209 -1 8 {} O 0.0 {0.532788555748 0.394136485444 0.37881955254} O5 6210 -1 1 {} H 0.0 {0.569985932672 0.372532979917 0.390167745613} H1 6211 -1 1 {} H 0.0 {0.548098961372 0.374190988207 0.382245881379} H2 6212 -1 1 {} H 0.0 {0.536499866569 0.433071367432 0.346832361843} H3 6213 -1 1 {} H 0.0 {0.536323684036 0.415911792025 0.346816010378} H4 6214 -1 1 {} H 0.0 {0.525496873624 0.440966839558 0.383833581017} H5 6215 -1 1 {} H 0.0 {0.520178904376 0.443354965998 0.367696080909} H6 6216 -1 1 {} H 0.0 {0.52157435438 0.405513848253 0.362830967458} H7 6217 -1 1 {} H 0.0 {0.511862414209 0.417775838916 0.369880659788} H8 6218 -1 1 {} H 0.0 {0.566469380234 0.39868109408 0.352132950159} H9 6219 -1 1 {} H 0.0 {0.553720074218 0.409611941594 0.348561092852} H10 6220 -1 1 {} H 0.0 {0.565078887692 0.432316631125 0.353787781472} H11 6221 -1 1 {} H 0.0 {0.580646870632 0.426615507808 0.358230420573} H12 6222 -1 1 {} H 0.0 {0.585469790035 0.411039452814 0.378863509105} H13 6223 -1 1 {} H 0.0 {0.577655694897 0.39608153531 0.375872793212} H14 6224 -1 1 {} H 0.0 {0.53630175468 0.392919926224 0.345106880591} H15 6225 -1 1 {} H 0.0 {0.539099631046 0.371982512213 0.368859023229} H16 6226 -1 1 {} H 0.0 {0.550672083662 0.360034846931 0.362448364576} H17 6227 -1 1 {} H 0.0 {0.537714923376 0.366416668326 0.351980110871} H18 6228 -1 1 {} H 0.0 {0.56857677791 0.366422343155 0.342226801873} H19 6229 -1 1 {} H 0.0 {0.525462310953 0.417133357309 0.400663264416} H20 6230 -1 1 {} H 0.0 {0.539232868823 0.415868116804 0.410825210688} H21 6231 -1 1 {} H 0.0 {0.522646407336 0.395294095524 0.381269604714} H22 6232 -1 14 {} Si 0.0 {0.672230017735 0.397121549361 0.479891780981} Si1 6233 -1 8 {} O 0.0 {0.682521153031 0.394029742752 0.494896252671} O1 6234 -1 14 {} Si 0.0 {0.675027549817 0.380553205048 0.505036090248} Si2 6235 -1 8 {} O 0.0 {0.673140242934 0.365395661728 0.494760460886} O2 6236 -1 14 {} Si 0.0 {0.677635447825 0.350490396257 0.50466685062} Si3 6237 -1 7 {} N 0.0 {0.68240895708 0.336735197638 0.493127271688} N1 6238 -1 14 {} Si 0.0 {0.684968477997 0.344361152136 0.47637509871} Si4 6239 -1 14 {} Si 0.0 {0.667807814812 0.325297482932 0.491942259281} Si5 6240 -1 7 {} N 0.0 {0.703013628442 0.348174620943 0.47405948734} N2 6241 -1 7 {} N 0.0 {0.675110192607 0.360058469124 0.47525005957} N3 6242 -1 7 {} N 0.0 {0.679372318682 0.332578193122 0.463123599491} N4 6243 -1 7 {} N 0.0 {0.653126320678 0.333118162299 0.500246604549} N5 6244 -1 7 {} N 0.0 {0.663770681743 0.322075537555 0.474070112847} N6 6245 -1 7 {} N 0.0 {0.671965953494 0.309298751983 0.500433784862} N7 6246 -1 8 {} O 0.0 {0.669238102171 0.415196775735 0.478109253698} O3 6247 -1 6 {} C 0.0 {0.655765151108 0.388220486969 0.481540895739} C1 6248 -1 8 {} O 0.0 {0.681082044126 0.390923748933 0.464995848367} O4 6249 -1 7 {} N 0.0 {0.663072335049 0.345174223304 0.514946325627} N8 6250 -1 8 {} O 0.0 {0.691804507291 0.354415376455 0.515726953255} O5 6251 -1 1 {} H 0.0 {0.662196603811 0.384721112499 0.509770737206} H1 6252 -1 1 {} H 0.0 {0.683523382592 0.377717678023 0.516187762638} H2 6253 -1 1 {} H 0.0 {0.703655968822 0.356590228579 0.467568712494} H3 6254 -1 1 {} H 0.0 {0.707265621947 0.33985285038 0.468722733852} H4 6255 -1 1 {} H 0.0 {0.664835110043 0.357290627821 0.474665248601} H5 6256 -1 1 {} H 0.0 {0.677601060794 0.364591121827 0.465830473163} H6 6257 -1 1 {} H 0.0 {0.6878659627 0.330381196451 0.457062513068} H7 6258 -1 1 {} H 0.0 {0.672488372408 0.338007141791 0.456881831788} H8 6259 -1 1 {} H 0.0 {0.646466538109 0.325261900645 0.502961624303} H9 6260 -1 1 {} H 0.0 {0.648082600591 0.338954292621 0.492738400951} H10 6261 -1 1 {} H 0.0 {0.657857270006 0.330263766225 0.470646690359} H11 6262 -1 1 {} H 0.0 {0.657393395275 0.313411866072 0.473860300762} H12 6263 -1 1 {} H 0.0 {0.678258117351 0.303765620596 0.493867413892} H13 6264 -1 1 {} H 0.0 {0.662833926852 0.303799732392 0.501259740027} H14 6265 -1 1 {} H 0.0 {0.664450595149 0.417054373014 0.468939431637} H15 6266 -1 1 {} H 0.0 {0.648184490158 0.395227187363 0.485046994029} H16 6267 -1 1 {} H 0.0 {0.656745467637 0.380053279746 0.4886806813} H17 6268 -1 1 {} H 0.0 {0.652807536058 0.384230300471 0.471834388508} H18 6269 -1 1 {} H 0.0 {0.684434891167 0.381137344221 0.466749735541} H19 6270 -1 1 {} H 0.0 {0.663334815144 0.334527810417 0.515539006272} H20 6271 -1 1 {} H 0.0 {0.654248506718 0.347715797198 0.509346528181} H21 6272 -1 1 {} H 0.0 {0.68940685426 0.351645306498 0.525578420062} H22 6273 -1 14 {} Si 0.0 {0.627553932338 0.474546681308 0.4010017771} Si1 6274 -1 8 {} O 0.0 {0.638486902673 0.460001958615 0.403879564566} O1 6275 -1 14 {} Si 0.0 {0.639031015917 0.449399093073 0.388781442792} Si2 6276 -1 8 {} O 0.0 {0.646893620526 0.433222409158 0.393112563044} O2 6277 -1 14 {} Si 0.0 {0.644775385574 0.420948836916 0.379427643873} Si3 6278 -1 7 {} N 0.0 {0.658090960038 0.42337332644 0.366714903686} N1 6279 -1 14 {} Si 0.0 {0.654660509571 0.411182181776 0.353118987746} Si4 6280 -1 14 {} Si 0.0 {0.674296827606 0.418545115397 0.374616724624} Si5 6281 -1 7 {} N 0.0 {0.660822308422 0.394386284047 0.358164544218} N2 6282 -1 7 {} N 0.0 {0.663277182993 0.416576644997 0.337568182563} N3 6283 -1 7 {} N 0.0 {0.636318002486 0.41038523015 0.350105649668} N4 6284 -1 7 {} N 0.0 {0.685851450695 0.411947776657 0.36163098199} N5 6285 -1 7 {} N 0.0 {0.681969278573 0.433447318324 0.382674843908} N6 6286 -1 7 {} N 0.0 {0.671315266782 0.40543987532 0.387460940519} N7 6287 -1 8 {} O 0.0 {0.610156749705 0.470023550364 0.40477868938} O3 6288 -1 6 {} C 0.0 {0.628861983891 0.479959883354 0.383065059051} C1 6289 -1 8 {} O 0.0 {0.632744588969 0.488363063584 0.411988228946} O4 6290 -1 7 {} N 0.0 {0.628091372432 0.423076115012 0.371362420189} N8 6291 -1 8 {} O 0.0 {0.646016422786 0.403928907741 0.386295215283} O5 6292 -1 1 {} H 0.0 {0.646719871602 0.455917126056 0.37864338594} H1 6293 -1 1 {} H 0.0 {0.625709141978 0.447204317828 0.384020802591} H2 6294 -1 1 {} H 0.0 {0.665432893859 0.390014302751 0.349618081559} H3 6295 -1 1 {} H 0.0 {0.652119134132 0.38843500826 0.36033285448} H4 6296 -1 1 {} H 0.0 {0.673634692772 0.417511035673 0.339859606406} H5 6297 -1 1 {} H 0.0 {0.659723058429 0.42648374284 0.335360308179} H6 6298 -1 1 {} H 0.0 {0.634091195215 0.400538582864 0.346713169316} H7 6299 -1 1 {} H 0.0 {0.63424603484 0.417005221911 0.341880837624} H8 6300 -1 1 {} H 0.0 {0.68713701932 0.401543543068 0.363541351947} H9 6301 -1 1 {} H 0.0 {0.695411755532 0.41658184726 0.363372935744} H10 6302 -1 1 {} H 0.0 {0.691302677635 0.435200813045 0.3778319263} H11 6303 -1 1 {} H 0.0 {0.684262596925 0.430636577291 0.39280729789} H12 6304 -1 1 {} H 0.0 {0.67592311285 0.408757991044 0.396482475402} H13 6305 -1 1 {} H 0.0 {0.676752165193 0.396714644859 0.384280167059} H14 6306 -1 1 {} H 0.0 {0.604512053538 0.478769054577 0.406234448914} H15 6307 -1 1 {} H 0.0 {0.622295359723 0.473797946482 0.376924024049} H16 6308 -1 1 {} H 0.0 {0.639150482658 0.478810029115 0.379671153329} H17 6309 -1 1 {} H 0.0 {0.625893921042 0.490412127362 0.382202676637} H18 6310 -1 1 {} H 0.0 {0.63951491221 0.494531057732 0.406874953411} H19 6311 -1 1 {} H 0.0 {0.624042002081 0.41333413468 0.369887564887} H20 6312 -1 1 {} H 0.0 {0.629894390293 0.427149570352 0.361550431235} H21 6313 -1 1 {} H 0.0 {0.636663406956 0.399201565835 0.385597073818} H22 6314 -1 14 {} Si 0.0 {0.318299194653 0.339381829758 0.704129914805} Si1 6315 -1 8 {} O 0.0 {0.32592860554 0.355984942659 0.701894627736} O1 6316 -1 14 {} Si 0.0 {0.334250786467 0.361039386226 0.257399549265} Si2 6317 -1 8 {} O 0.0 {0.352522115043 0.360502142393 0.255162414227} O2 6318 -1 14 {} Si 0.0 {0.360784352861 0.367122004277 0.270269798087} Si3 6319 -1 7 {} N 0.0 {0.367101974171 0.352867124144 0.280524666264} N1 6320 -1 14 {} Si 0.0 {0.367027816507 0.357702300428 0.298505054337} Si4 6321 -1 14 {} Si 0.0 {0.384798835992 0.35009275608 0.27585499177} Si5 6322 -1 7 {} N 0.0 {0.35214428462 0.368142693588 0.302278226573} N2 6323 -1 7 {} N 0.0 {0.382498645124 0.367243448199 0.302432959101} N3 6324 -1 7 {} N 0.0 {0.366566102863 0.342254366176 0.308873525879} N4 6325 -1 7 {} N 0.0 {0.385593534098 0.343773608911 0.258355166636} N5 6326 -1 7 {} N 0.0 {0.394272142159 0.366072640048 0.277148430203} N6 6327 -1 7 {} N 0.0 {0.392252775893 0.337595259212 0.2874875028} N7 6328 -1 8 {} O 0.0 {0.327310218071 0.327068475045 0.693826936457} O3 6329 -1 6 {} C 0.0 {0.300205876528 0.339923758553 0.698837858625} C1 6330 -1 8 {} O 0.0 {0.319353271036 0.334487924394 0.26171205391} O4 6331 -1 7 {} N 0.0 {0.348582359656 0.377093952166 0.280097169461} N8 6332 -1 8 {} O 0.0 {0.374878648741 0.377844154694 0.265253366337} O5 6333 -1 1 {} H 0.0 {0.330479307514 0.352093619684 0.267866668135} H1 6334 -1 1 {} H 0.0 {0.33027569402 0.374333759261 0.260825355573} H2 6335 -1 1 {} H 0.0 {0.355266381421 0.375708471465 0.309113890414} H3 6336 -1 1 {} H 0.0 {0.34525465466 0.361847484898 0.307635886713} H4 6337 -1 1 {} H 0.0 {0.380974386876 0.377246113062 0.299133145815} H5 6338 -1 1 {} H 0.0 {0.390305533791 0.363134779934 0.296269600143} H6 6339 -1 1 {} H 0.0 {0.357255937619 0.337440971252 0.30696612392} H7 6340 -1 1 {} H 0.0 {0.366336185971 0.3454203351 0.319145062779} H8 6341 -1 1 {} H 0.0 {0.39208512306 0.350264191883 0.252944896471} H9 6342 -1 1 {} H 0.0 {0.375775674909 0.345073284528 0.254166766302} H10 6343 -1 1 {} H 0.0 {0.387291208718 0.373715949434 0.279619793457} H11 6344 -1 1 {} H 0.0 {0.397916263531 0.368316225531 0.267276402194} H12 6345 -1 1 {} H 0.0 {0.402787746778 0.337773306598 0.286020972871} H13 6346 -1 1 {} H 0.0 {0.388855733557 0.327918454905 0.284249574792} H14 6347 -1 1 {} H 0.0 {0.324146522398 0.327889429552 0.683844813816} H15 6348 -1 1 {} H 0.0 {0.298970119081 0.33435987965 0.689537548662} H16 6349 -1 1 {} H 0.0 {0.297172129168 0.350269574797 0.697309105983} H17 6350 -1 1 {} H 0.0 {0.293999761837 0.335429136765 0.706605165708} H18 6351 -1 1 {} H 0.0 {0.310503926202 0.337258098363 0.266621591928} H19 6352 -1 1 {} H 0.0 {0.353973586355 0.381831538113 0.287955624647} H20 6353 -1 1 {} H 0.0 {0.341902228186 0.37007334375 0.284749430233} H21 6354 -1 1 {} H 0.0 {0.374821184267 0.379018361277 0.254803625154} H22 6355 -1 14 {} Si 0.0 {0.646559747141 0.427271403761 0.309584898332} Si1 6356 -1 8 {} O 0.0 {0.652189867093 0.43796040163 0.323501221456} O1 6357 -1 14 {} Si 0.0 {0.64149922679 0.452926270552 0.324588295748} Si2 6358 -1 8 {} O 0.0 {0.646964457627 0.465288131903 0.312119890965} O2 6359 -1 14 {} Si 0.0 {0.633273319333 0.477127851536 0.308751868715} Si3 6360 -1 7 {} N 0.0 {0.625560415708 0.472981626545 0.29234114126} N1 6361 -1 14 {} Si 0.0 {0.638218447556 0.476705117871 0.279226732591} Si4 6362 -1 14 {} Si 0.0 {0.611053869447 0.484453374898 0.289714616774} Si5 6363 -1 7 {} N 0.0 {0.633668187178 0.492380219683 0.270332072183} N2 6364 -1 7 {} N 0.0 {0.638822116933 0.462631599083 0.267109174156} N3 6365 -1 7 {} N 0.0 {0.654911812159 0.478717313119 0.287179438591} N4 6366 -1 7 {} N 0.0 {0.616886660375 0.50038668579 0.282102404296} N5 6367 -1 7 {} N 0.0 {0.598795581057 0.476296051423 0.27834577063} N6 6368 -1 7 {} N 0.0 {0.602865438074 0.488028859552 0.306027572272} N7 6369 -1 8 {} O 0.0 {0.630793240698 0.433829336005 0.302743814129} O3 6370 -1 6 {} C 0.0 {0.643849389967 0.409753480692 0.315842266231} C1 6371 -1 8 {} O 0.0 {0.65938318599 0.427120336002 0.296385509141} O4 6372 -1 7 {} N 0.0 {0.64009611122 0.494418923801 0.308301492051} N8 6373 -1 8 {} O 0.0 {0.620609433808 0.475854968594 0.322036488495} O5 6374 -1 1 {} H 0.0 {0.642577479111 0.458599618019 0.337669934492} H1 6375 -1 1 {} H 0.0 {0.627901473269 0.449288577518 0.322075458261} H2 6376 -1 1 {} H 0.0 {0.630946630595 0.489687625736 0.260387400027} H3 6377 -1 1 {} H 0.0 {0.642685639415 0.498211302363 0.269562072797} H4 6378 -1 1 {} H 0.0 {0.636205311283 0.453776133831 0.272435021488} H5 6379 -1 1 {} H 0.0 {0.649116088596 0.461516515326 0.264192130584} H6 6380 -1 1 {} H 0.0 {0.65858156998 0.48833588287 0.284441820813} H7 6381 -1 1 {} H 0.0 {0.661427440633 0.471518120172 0.28254070388} H8 6382 -1 1 {} H 0.0 {0.613130431844 0.508330458081 0.288144922112} H9 6383 -1 1 {} H 0.0 {0.611972097335 0.501222581273 0.272560670073} H10 6384 -1 1 {} H 0.0 {0.600933329323 0.47964338805 0.26846164279} H11 6385 -1 1 {} H 0.0 {0.589115382175 0.480243492305 0.280893022039} H12 6386 -1 1 {} H 0.0 {0.599503557772 0.478724006508 0.309981341472} H13 6387 -1 1 {} H 0.0 {0.594035091048 0.493795603533 0.303846004812} H14 6388 -1 1 {} H 0.0 {0.624769264478 0.425822946491 0.299584347263} H15 6389 -1 1 {} H 0.0 {0.633784286814 0.406478779048 0.313240422613} H16 6390 -1 1 {} H 0.0 {0.645052743847 0.409538236879 0.326669773514} H17 6391 -1 1 {} H 0.0 {0.651141777454 0.403083405758 0.311240250495} H18 6392 -1 1 {} H 0.0 {0.659156260015 0.41787271487 0.291406364034} H19 6393 -1 1 {} H 0.0 {0.637334340879 0.498672843344 0.298939428604} H20 6394 -1 1 {} H 0.0 {0.650823028637 0.49349007059 0.308204691259} H21 6395 -1 1 {} H 0.0 {0.62216251894 0.483492910008 0.329076641154} H22 6396 -1 14 {} Si 0.0 {0.678501367863 0.317741662819 0.649856471245} Si1 6397 -1 8 {} O 0.0 {0.684518175044 0.335188758598 0.650495811745} O1 6398 -1 14 {} Si 0.0 {0.690431190563 0.341836513299 0.633997078344} Si2 6399 -1 8 {} O 0.0 {0.686939156718 0.330399440721 0.619799578768} O2 6400 -1 14 {} Si 0.0 {0.701652327711 0.329657922916 0.608194801165} Si3 6401 -1 7 {} N 0.0 {0.704999710369 0.346355886926 0.59993090305} N1 6402 -1 14 {} Si 0.0 {0.691175065656 0.357914131067 0.603963117913} Si4 6403 -1 14 {} Si 0.0 {0.704993077367 0.344250428875 0.581244546519} Si5 6404 -1 7 {} N 0.0 {0.691403126231 0.361422736957 0.622075865842} N2 6405 -1 7 {} N 0.0 {0.674972031585 0.350212208267 0.599100477835} N3 6406 -1 7 {} N 0.0 {0.693510472829 0.373839817474 0.594659198622} N4 6407 -1 7 {} N 0.0 {0.695029376364 0.329348947574 0.576378809982} N5 6408 -1 7 {} N 0.0 {0.697529715101 0.359429637862 0.573415165542} N6 6409 -1 7 {} N 0.0 {0.722464620244 0.342283410205 0.575127768146} N7 6410 -1 8 {} O 0.0 {0.663379842329 0.316666375552 0.639447032779} O3 6411 -1 6 {} C 0.0 {0.674250579746 0.312164849215 0.667420649571} C1 6412 -1 8 {} O 0.0 {0.691646583352 0.306884594882 0.643023305889} O4 6413 -1 7 {} N 0.0 {0.698519848024 0.316821446987 0.595095963615} N8 6414 -1 8 {} O 0.0 {0.716504422567 0.324844592682 0.617909637534} O5 6415 -1 1 {} H 0.0 {0.704502241457 0.344220455004 0.634720296686} H1 6416 -1 1 {} H 0.0 {0.683748732694 0.354148684096 0.631650029287} H2 6417 -1 1 {} H 0.0 {0.686727021934 0.370849267535 0.623523897652} H3 6418 -1 1 {} H 0.0 {0.701729518811 0.36264351608 0.624843629559} H4 6419 -1 1 {} H 0.0 {0.67713971788 0.340586716133 0.595057416079} H5 6420 -1 1 {} H 0.0 {0.671070710249 0.356123665826 0.590983937189} H6 6421 -1 1 {} H 0.0 {0.703713715814 0.376703500597 0.595816863535} H7 6422 -1 1 {} H 0.0 {0.687649438097 0.381279034258 0.599776431028} H8 6423 -1 1 {} H 0.0 {0.70071082615 0.324015804469 0.569086682051} H9 6424 -1 1 {} H 0.0 {0.68626883286 0.333033296352 0.571311403345} H10 6425 -1 1 {} H 0.0 {0.687309903009 0.357241943748 0.57135584608} H11 6426 -1 1 {} H 0.0 {0.702373099312 0.360700623318 0.563877543595} H12 6427 -1 1 {} H 0.0 {0.722930297901 0.346715554147 0.565421390654} H13 6428 -1 1 {} H 0.0 {0.724088421151 0.331745360994 0.57374680407} H14 6429 -1 1 {} H 0.0 {0.654943543413 0.315605744606 0.645651950413} H15 6430 -1 1 {} H 0.0 {0.66359101344 0.313660478173 0.669244083295} H16 6431 -1 1 {} H 0.0 {0.680002402728 0.31803437195 0.67460005182} H17 6432 -1 1 {} H 0.0 {0.676679423755 0.301605340819 0.668599417961} H18 6433 -1 1 {} H 0.0 {0.699773393871 0.3066665087 0.649686879738} H19 6434 -1 1 {} H 0.0 {0.706531330108 0.317429762444 0.588089916627} H20 6435 -1 1 {} H 0.0 {0.68962870939 0.319856210231 0.589856748337} H21 6436 -1 1 {} H 0.0 {0.714204159769 0.316544863159 0.623902652076} H22 6437 -1 14 {} Si 0.0 {0.296481634843 0.359930491661 0.532514165655} Si1 6438 -1 8 {} O 0.0 {0.30638801429 0.345963625483 0.538898813241} O1 6439 -1 14 {} Si 0.0 {0.294342740921 0.334421643836 0.545826719508} Si2 6440 -1 8 {} O 0.0 {0.277909848496 0.341342624132 0.541859724616} O2 6441 -1 14 {} Si 0.0 {0.271743433732 0.335776178527 0.52518024024} Si3 6442 -1 7 {} N 0.0 {0.283183347727 0.340006572806 0.510566832408} N1 6443 -1 14 {} Si 0.0 {0.300724893394 0.333268627957 0.512553781223} Si4 6444 -1 14 {} Si 0.0 {0.283393718631 0.358763120485 0.507630019355} Si5 6445 -1 7 {} N 0.0 {0.312676705673 0.343839535297 0.502886318453} N2 6446 -1 7 {} N 0.0 {0.301168763474 0.316039625788 0.505648755112} N3 6447 -1 7 {} N 0.0 {0.306022766895 0.332486445293 0.530305096573} N4 6448 -1 7 {} N 0.0 {0.283384065706 0.368108055891 0.523753143465} N5 6449 -1 7 {} N 0.0 {0.298386091229 0.363555445955 0.49752983072} N6 6450 -1 7 {} N 0.0 {0.728269533674 0.363413584362 0.4980704613} N7 6451 -1 8 {} O 0.0 {0.2786687782 0.354942071413 0.532386157685} O3 6452 -1 6 {} C 0.0 {0.301918726364 0.364073273803 0.515119249208} C1 6453 -1 8 {} O 0.0 {0.298622448418 0.374512325387 0.543467191897} O4 6454 -1 7 {} N 0.0 {0.715664324412 0.344287703581 0.522164969468} N8 6455 -1 8 {} O 0.0 {0.729096783052 0.31760630621 0.52551899008} O5 6456 -1 1 {} H 0.0 {0.296033511841 0.333689648265 0.560022984491} H1 6457 -1 1 {} H 0.0 {0.295715633233 0.321443249883 0.540088263611} H2 6458 -1 1 {} H 0.0 {0.312274838907 0.340580841044 0.492739866541} H3 6459 -1 1 {} H 0.0 {0.322559070043 0.34143062822 0.506471094984} H4 6460 -1 1 {} H 0.0 {0.301080528548 0.316885932018 0.495039255077} H5 6461 -1 1 {} H 0.0 {0.291881197546 0.311378745831 0.508434205969} H6 6462 -1 1 {} H 0.0 {0.315844643281 0.336541456918 0.530816471414} H7 6463 -1 1 {} H 0.0 {0.307053129081 0.322081768858 0.532668576136} H8 6464 -1 1 {} H 0.0 {0.273192288425 0.369189890463 0.52676026751} H9 6465 -1 1 {} H 0.0 {0.286961901016 0.378037726564 0.521581538541} H10 6466 -1 1 {} H 0.0 {0.296571364415 0.373294101855 0.493600153435} H11 6467 -1 1 {} H 0.0 {0.298715572845 0.356876832276 0.489116058203} H12 6468 -1 1 {} H 0.0 {0.271067258157 0.36472662798 0.487905886265} H13 6469 -1 1 {} H 0.0 {0.725212074099 0.373088762311 0.501648882392} H14 6470 -1 1 {} H 0.0 {0.275299605591 0.354043677039 0.522467213803} H15 6471 -1 1 {} H 0.0 {0.295353912301 0.371738854795 0.51096838693} H16 6472 -1 1 {} H 0.0 {0.301383394772 0.355074151595 0.509003459241} H17 6473 -1 1 {} H 0.0 {0.312149883064 0.367759844552 0.515278497901} H18 6474 -1 1 {} H 0.0 {0.301882574975 0.371294859022 0.552911246625} H19 6475 -1 1 {} H 0.0 {0.715091315531 0.346330956917 0.511723008515} H20 6476 -1 1 {} H 0.0 {0.716270259165 0.353853714738 0.527112914804} H21 6477 -1 1 {} H 0.0 {0.271193912171 0.313918467325 0.53507909531} H22 6478 -1 14 {} Si 0.0 {0.673034823577 0.624497969637 0.62489544875} Si1 6479 -1 8 {} O 0.0 {0.667547708768 0.606904332901 0.624103879926} O1 6480 -1 14 {} Si 0.0 {0.673234366437 0.599001549028 0.608407744841} Si2 6481 -1 8 {} O 0.0 {0.662580916234 0.604388426124 0.594379363999} O2 6482 -1 14 {} Si 0.0 {0.665980589799 0.593860710505 0.579529477397} Si3 6483 -1 7 {} N 0.0 {0.683636966718 0.596381155686 0.573927578887} N1 6484 -1 14 {} Si 0.0 {0.686105649554 0.586878284329 0.558091001954} Si4 6485 -1 14 {} Si 0.0 {0.694831121107 0.588668188762 0.586671734366} Si5 6486 -1 7 {} N 0.0 {0.689037451511 0.568930299508 0.561982564418} N2 6487 -1 7 {} N 0.0 {0.700877471168 0.593707514273 0.549078051943} N3 6488 -1 7 {} N 0.0 {0.671020872731 0.588497673841 0.547369826038} N4 6489 -1 7 {} N 0.0 {0.701349298457 0.57246417897 0.580401863971} N5 6490 -1 7 {} N 0.0 {0.7090146073 0.600089448066 0.590142902341} N6 6491 -1 7 {} N 0.0 {0.685515744113 0.585719231361 0.602270485299} N7 6492 -1 8 {} O 0.0 {0.66449704485 0.634138803819 0.611790276181} O3 6493 -1 6 {} C 0.0 {0.691661551266 0.625614049746 0.622387427424} C1 6494 -1 8 {} O 0.0 {0.668700387549 0.631437338574 0.641392764105} O4 6495 -1 7 {} N 0.0 {0.654350229464 0.598706375694 0.565822689735} N8 6496 -1 8 {} O 0.0 {0.663332722373 0.576143960269 0.583742116218} O5 6497 -1 1 {} H 0.0 {0.672333416795 0.584785863984 0.609782799056} H1 6498 -1 1 {} H 0.0 {0.686797907016 0.602732234299 0.605800530334} H2 6499 -1 1 {} H 0.0 {0.693671288787 0.564559235071 0.553434131286} H3 6500 -1 1 {} H 0.0 {0.679349578837 0.564345834277 0.562890583878} H4 6501 -1 1 {} H 0.0 {0.707086630167 0.598447754647 0.556327117617} H5 6502 -1 1 {} H 0.0 {0.697227904903 0.601494308861 0.542620470699} H6 6503 -1 1 {} H 0.0 {0.662614003043 0.585815396247 0.553326417} H7 6504 -1 1 {} H 0.0 {0.671870093651 0.580981162996 0.539710261809} H8 6505 -1 1 {} H 0.0 {0.692990584739 0.565999186435 0.579081657861} H9 6506 -1 1 {} H 0.0 {0.707244944094 0.568248544919 0.588371767029} H10 6507 -1 1 {} H 0.0 {0.712225568799 0.604012002895 0.580809634035} H11 6508 -1 1 {} H 0.0 {0.717060608151 0.593977843054 0.593842246129} H12 6509 -1 1 {} H 0.0 {0.692541880937 0.586441911304 0.610196745843} H13 6510 -1 1 {} H 0.0 {0.682230529665 0.575469489503 0.602004042305} H14 6511 -1 1 {} H 0.0 {0.661914630219 0.627732686063 0.603890683158} H15 6512 -1 1 {} H 0.0 {0.693993107111 0.634455838643 0.616439377264} H16 6513 -1 1 {} H 0.0 {0.695188661318 0.616714395647 0.617198438102} H17 6514 -1 1 {} H 0.0 {0.69659890219 0.626369006254 0.632085614953} H18 6515 -1 1 {} H 0.0 {0.676368361814 0.637847640035 0.644615088822} H19 6516 -1 1 {} H 0.0 {0.660052641973 0.603988920838 0.558544063834} H20 6517 -1 1 {} H 0.0 {0.647414033663 0.605797151594 0.570018709349} H21 6518 -1 1 {} H 0.0 {0.660747585463 0.570840493578 0.575035707442} H22 6519 -1 14 {} Si 0.0 {0.616995152139 0.459025313219 0.626628802933} Si1 6520 -1 8 {} O 0.0 {0.629966256587 0.459438726582 0.613395803048} O1 6521 -1 14 {} Si 0.0 {0.629372461213 0.443752716326 0.603628154324} Si2 6522 -1 8 {} O 0.0 {0.643931027415 0.442692858155 0.592112901599} O2 6523 -1 14 {} Si 0.0 {0.659806395669 0.443589018583 0.601598015619} Si3 6524 -1 7 {} N 0.0 {0.666911945727 0.461111336014 0.599605881432} N1 6525 -1 14 {} Si 0.0 {0.678038871663 0.461244963279 0.585133430053} Si4 6526 -1 14 {} Si 0.0 {0.677192977199 0.465743490098 0.614948593575} Si5 6527 -1 7 {} N 0.0 {0.689575804304 0.44660359149 0.586266145497} N2 6528 -1 7 {} N 0.0 {0.688044133973 0.477184357405 0.585246813146} N3 6529 -1 7 {} N 0.0 {0.66828458324 0.460268225511 0.569393559016} N4 6530 -1 7 {} N 0.0 {0.666580884019 0.464600059385 0.628782585273} N5 6531 -1 7 {} N 0.0 {0.691516017145 0.454039599694 0.617460849752} N6 6532 -1 7 {} N 0.0 {0.682995842531 0.483951477912 0.613864563562} N7 6533 -1 8 {} O 0.0 {0.625129078312 0.459251179908 0.643065874491} O3 6534 -1 6 {} C 0.0 {0.606669736783 0.44336060991 0.624903049543} C1 6535 -1 8 {} O 0.0 {0.606058566031 0.473738219978 0.625191400127} O4 6536 -1 7 {} N 0.0 {0.671691398564 0.430914672152 0.595182647718} N8 6537 -1 8 {} O 0.0 {0.656232508811 0.440371715975 0.619383557316} O5 6538 -1 1 {} H 0.0 {0.617284873162 0.443505278796 0.595992218075} H1 6539 -1 1 {} H 0.0 {0.629552297692 0.432565005758 0.612528674204} H2 6540 -1 1 {} H 0.0 {0.698443689224 0.449880340715 0.591201112679} H3 6541 -1 1 {} H 0.0 {0.692408461542 0.444092617962 0.576208166784} H4 6542 -1 1 {} H 0.0 {0.683162720633 0.483983658841 0.591763472993} H5 6543 -1 1 {} H 0.0 {0.687355161675 0.4813582773 0.575352404633} H6 6544 -1 1 {} H 0.0 {0.673796326776 0.454068183578 0.562679749353} H7 6545 -1 1 {} H 0.0 {0.668343089128 0.470158768073 0.565141989459} H8 6546 -1 1 {} H 0.0 {0.672761929639 0.462873683961 0.637182483741} H9 6547 -1 1 {} H 0.0 {0.660652137058 0.455721785979 0.626946460004} H10 6548 -1 1 {} H 0.0 {0.687374490721 0.444368712854 0.619246142821} H11 6549 -1 1 {} H 0.0 {0.696239567444 0.456902985376 0.62665246051} H12 6550 -1 1 {} H 0.0 {0.679752829962 0.488778291389 0.622820455511} H13 6551 -1 1 {} H 0.0 {0.677616104784 0.488739009327 0.605776088025} H14 6552 -1 1 {} H 0.0 {0.623114499016 0.46838077569 0.647852941321} H15 6553 -1 1 {} H 0.0 {0.601273988673 0.441498346299 0.634201679555} H16 6554 -1 1 {} H 0.0 {0.613204174876 0.43491072412 0.622747962407} H17 6555 -1 1 {} H 0.0 {0.599531956978 0.444597564407 0.616756908504} H18 6556 -1 1 {} H 0.0 {0.600676092636 0.474959324618 0.634165964593} H19 6557 -1 1 {} H 0.0 {0.678117912739 0.428267316297 0.60324451586} H20 6558 -1 1 {} H 0.0 {0.677791666628 0.43584381352 0.587881096082} H21 6559 -1 1 {} H 0.0 {0.648416097618 0.433437922275 0.620182416451} H22 6560 -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 1 0 0 0 2 1 0 0 3 2 0 0 4 3 0 0 5 4 0 0 6 5 0 0 7 5 0 0 8 6 0 0 9 6 0 0 10 6 0 0 11 7 0 0 12 7 0 0 13 7 0 0 14 0 0 0 15 0 0 0 16 0 0 0 17 4 0 0 18 4 0 0 19 2 0 0 20 2 0 0 21 8 0 0 22 8 0 0 23 9 0 0 24 9 0 0 25 10 0 0 26 10 0 0 27 11 0 0 28 11 0 0 29 12 0 0 30 12 0 0 31 13 0 0 32 13 0 0 33 14 0 0 34 15 0 0 35 15 0 0 36 15 0 0 37 16 0 0 38 17 0 0 39 17 0 0 40 18 0 0 42 41 0 0 43 42 0 0 44 43 0 0 45 44 0 0 46 45 0 0 47 46 0 0 48 46 0 0 49 47 0 0 50 47 0 0 51 47 0 0 52 48 0 0 53 48 0 0 54 48 0 0 55 41 0 0 56 41 0 0 57 41 0 0 58 45 0 0 59 45 0 0 60 43 0 0 61 43 0 0 62 49 0 0 63 49 0 0 64 50 0 0 65 50 0 0 66 51 0 0 67 51 0 0 68 52 0 0 69 52 0 0 70 53 0 0 71 53 0 0 72 54 0 0 73 54 0 0 74 55 0 0 75 56 0 0 76 56 0 0 77 56 0 0 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6529 {0 0 0} 0 6385 6545 6529 {0 0 0} 0 6386 6546 6530 {0 0 0} 0 6387 6547 6530 {0 0 0} 0 6388 6548 6531 {0 0 0} 0 6389 6549 6531 {0 0 0} 0 6390 6550 6532 {0 0 0} 0 6391 6551 6532 {0 0 0} 0 6392 6552 6533 {0 0 0} 0 6393 6553 6534 {0 0 0} 0 6394 6554 6534 {0 0 0} 0 6395 6555 6534 {0 0 0} 0 6396 6556 6535 {0 0 0} 0 6397 6557 6536 {0 0 0} 0 6398 6558 6536 {0 0 0} 0 6399 6559 6537 {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 ? {} {} {} {}}} } } }