job.id 439 job.name {??? From job 435, 3D WY-9 cubic init velocity-NVT 0.2.fs, 400K, 100 to sphere} job.description {} job.status finished job.submitted {2025-01-01 12:38:59} job.started {2025-01-01 12:38:59} job.finished {2025-01-01 14:22:19} job.queue 4 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-753a3bb7-59ee-4ec4-b8d1-57f3bea8a069 MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-753a3bb7-59ee-4ec4-b8d1-57f3bea8a069 Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a out} in,anchor n} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-a63087b7-1b9b-4a9d-893a-8c328b41c799 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-a63087b7-1b9b-4a9d-893a-8c328b41c799 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-lammps-stage-dc20bb21-09a5-471b-800c-18f257b782b4 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-dc20bb21-09a5-471b-800c-18f257b782b4 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 {} } } md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a 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 {$system} -workingdirectory .} } md-lammps-stage-23d0c778-3c52-4061-b420-1ce6a1419a83 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-23d0c778-3c52-4061-b420-1ce6a1419a83 Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } } Connections { md-lammps-stage-a63087b7-1b9b-4a9d-893a-8c328b41c799,md-lammps-stage-dc20bb21-09a5-471b-800c-18f257b782b4 1 md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a,md-lammps-stage-23d0c778-3c52-4061-b420-1ce6a1419a83 1 md-lammps-stage-23d0c778-3c52-4061-b420-1ce6a1419a83,md-lammps-stage-a63087b7-1b9b-4a9d-893a-8c328b41c799 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-7cb8b2e0-86eb-4836-955a-66c72e0d2537 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-7cb8b2e0-86eb-4836-955a-66c72e0d2537 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-dc20bb21-09a5-471b-800c-18f257b782b4} } md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a 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-a63087b7-1b9b-4a9d-893a-8c328b41c799} } md-flowchart-circle1-fc28b922-a803-4ca3-a22a-0b37997aa0e2 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-fc28b922-a803-4ca3-a22a-0b37997aa0e2 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a} } md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0 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-23d0c778-3c52-4061-b420-1ce6a1419a83} } } Connections { md-flowchart-circle1-fc28b922-a803-4ca3-a22a-0b37997aa0e2,md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0 64 md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a,md-flowchart-rectangle-7cb8b2e0-86eb-4836-955a-66c72e0d2537 70 md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0,md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a 76 } } } } md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9 Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a Options {-data {{tstep 0.2 fs} {T 400 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9,md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a 1 md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a,md-lammps-stage-753a3bb7-59ee-4ec4-b8d1-57f3bea8a069 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-080bec93-e3cd-4e04-83a0-05052a45683d ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-080bec93-e3cd-4e04-83a0-05052a45683d Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9} } md-flowchart-rectangle-f38af218-bfb4-49ad-913f-f5d69f52a9cb ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-f38af218-bfb4-49ad-913f-f5d69f52a9cb Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-753a3bb7-59ee-4ec4-b8d1-57f3bea8a069} } md-flowchart-oval-2e757d7b-3984-4b76-89ba-56ec9de39efa ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-2e757d7b-3984-4b76-89ba-56ec9de39efa Options {-height 120 -selected 0 -description {tstep = 0.2 fs T = 400 K P = 0 atm} -fill #e6eb7a -x 110 -width 160 -y 94 -title Variables -stage md-stage-variables-e3b1e65c-2228-44be-b7fe-5ff9020b349a} } } Connections { md-flowchart-circle1-080bec93-e3cd-4e04-83a0-05052a45683d,md-flowchart-oval-2e757d7b-3984-4b76-89ba-56ec9de39efa 60 md-flowchart-oval-2e757d7b-3984-4b76-89ba-56ec9de39efa,md-flowchart-rectangle-f38af218-bfb4-49ad-913f-f5d69f52a9cb 78 } } } 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 {0.464857 0.721236 0.478296} Si1 1 -1 8 {} O 0.0 {0.475913 0.720203 0.489796} O1 2 -1 14 {} Si 0.0 {0.491908 0.721878 0.491992} Si2 3 -1 8 {} O 0.0 {0.496132 0.721508 0.476087} O2 4 -1 14 {} Si 0.0 {0.490574 0.71909 0.462212} Si3 5 -1 7 {} N 0.0 {0.494683 0.701928 0.452638} N1 6 -1 14 {} Si 0.0 {0.50948 0.693716 0.451998} Si4 7 -1 14 {} Si 0.0 {0.483817 0.692368 0.445492} Si5 8 -1 7 {} N 0.0 {0.508277 0.676177 0.460613} N2 9 -1 7 {} N 0.0 {0.521357 0.703007 0.462528} N3 10 -1 7 {} N 0.0 {0.517561 0.690821 0.433935} N4 11 -1 7 {} N 0.0 {0.474258 0.70488 0.434031} N5 12 -1 7 {} N 0.0 {0.488265 0.677753 0.43428} N6 13 -1 7 {} N 0.0 {0.47106 0.687967 0.4598} N7 14 -1 8 {} O 0.0 {0.641369 0.283687 0.52623} O3 15 -1 6 {} C 0.0 {0.452411 0.735937 0.478387} C1 16 -1 8 {} O 0.0 {0.447923 0.303109 0.526588} O4 17 -1 7 {} N 0.0 {0.49316 0.731752 0.448117} N8 18 -1 8 {} O 0.0 {0.474417 0.71745 0.466679} O5 19 -1 1 {} H 0.0 {0.498231 0.708301 0.500095} H1 20 -1 1 {} H 0.0 {0.494114 0.735389 0.496906} H2 21 -1 1 {} H 0.0 {0.498492 0.675887 0.462989} H3 22 -1 1 {} H 0.0 {0.509905 0.669867 0.453128} H4 23 -1 1 {} H 0.0 {0.514362 0.70952 0.466003} H5 24 -1 1 {} H 0.0 {0.523249 0.696289 0.470509} H6 25 -1 1 {} H 0.0 {0.526888 0.692943 0.437879} H7 26 -1 1 {} H 0.0 {0.516912 0.680461 0.433053} H8 27 -1 1 {} H 0.0 {0.464413 0.701361 0.435277} H9 28 -1 1 {} H 0.0 {0.477231 0.71322 0.438763} H10 29 -1 1 {} H 0.0 {0.496327 0.672446 0.438206} H11 30 -1 1 {} H 0.0 {0.492642 0.684048 0.42709} H12 31 -1 1 {} H 0.0 {0.462122 0.688862 0.455125} H13 32 -1 1 {} H 0.0 {0.472244 0.697537 0.464183} H14 33 -1 1 {} H 0.0 {0.553736 0.291179 0.469823} H15 34 -1 1 {} H 0.0 {0.44567 0.734735 0.470297} H16 35 -1 1 {} H 0.0 {0.459432 0.743129 0.474389} H17 36 -1 1 {} H 0.0 {0.449048 0.737823 0.488199} H18 37 -1 1 {} H 0.0 {0.633775 0.283643 0.519905} H19 38 -1 1 {} H 0.0 {0.484314 0.736194 0.447889} H20 39 -1 1 {} H 0.0 {0.493739 0.726191 0.440077} H21 40 -1 1 {} H 0.0 {0.471207 0.669361 0.360278} H22 41 -1 14 {} Si 0.0 {0.711686 0.296033 0.400121} Si1 42 -1 8 {} O 0.0 {0.71777 0.309405 0.404778} O1 43 -1 14 {} Si 0.0 {0.724949 0.318333 0.41549} Si2 44 -1 8 {} O 0.0 {0.653696 0.697751 0.424539} O2 45 -1 14 {} Si 0.0 {0.692269 0.698226 0.412966} Si3 46 -1 7 {} N 0.0 {0.705893 0.282292 0.463138} N1 47 -1 14 {} Si 0.0 {0.657941 0.673427 0.376695} Si4 48 -1 14 {} Si 0.0 {0.709492 0.296784 0.457472} Si5 49 -1 7 {} N 0.0 {0.680575 0.696606 0.402525} N2 50 -1 7 {} N 0.0 {0.479505 0.411372 0.273627} N3 51 -1 7 {} N 0.0 {0.679631 0.636032 0.332583} N4 52 -1 7 {} N 0.0 {0.728271 0.300979 0.457147} N5 53 -1 7 {} N 0.0 {0.69654 0.303745 0.443961} N6 54 -1 7 {} N 0.0 {0.691582 0.672498 0.391275} N7 55 -1 8 {} O 0.0 {0.722108 0.284021 0.40119} O3 56 -1 6 {} C 0.0 {0.646501 0.594432 0.311903} C1 57 -1 8 {} O 0.0 {0.698052 0.294982 0.408339} O4 58 -1 7 {} N 0.0 {0.691423 0.685725 0.427702} N8 59 -1 8 {} O 0.0 {0.615756 0.308506 0.435702} O5 60 -1 1 {} H 0.0 {0.730277 0.331321 0.40725} H1 61 -1 1 {} H 0.0 {0.714081 0.32618 0.422528} H2 62 -1 1 {} H 0.0 {0.657197 0.707633 0.389482} H3 63 -1 1 {} H 0.0 {0.528726 0.287365 0.62822} H4 64 -1 1 {} H 0.0 {0.48465 0.403865 0.267813} H5 65 -1 1 {} H 0.0 {0.734508 0.506906 0.427601} H6 66 -1 1 {} H 0.0 {0.691298 0.613905 0.376145} H7 67 -1 1 {} H 0.0 {0.683491 0.642261 0.326004} H8 68 -1 1 {} H 0.0 {0.731361 0.291393 0.454504} H9 69 -1 1 {} H 0.0 {0.73178 0.301816 0.46651} H10 70 -1 1 {} H 0.0 {0.70213 0.308749 0.436788} H11 71 -1 1 {} H 0.0 {0.692913 0.294594 0.441095} H12 72 -1 1 {} H 0.0 {0.683985 0.666527 0.387453} H13 73 -1 1 {} H 0.0 {0.690029 0.670645 0.401322} H14 74 -1 1 {} H 0.0 {0.719944 0.278665 0.408682} H15 75 -1 1 {} H 0.0 {0.64287 0.589861 0.303053} H16 76 -1 1 {} H 0.0 {0.655071 0.589722 0.315662} H17 77 -1 1 {} H 0.0 {0.293086 0.723623 0.598748} H18 78 -1 1 {} H 0.0 {0.692904 0.30322 0.409102} H19 79 -1 1 {} H 0.0 {0.698512 0.679364 0.424183} H20 80 -1 1 {} H 0.0 {0.682791 0.681474 0.425109} H21 81 -1 1 {} H 0.0 {0.611531 0.310728 0.444252} H22 82 -1 14 {} Si 0.0 {0.507831 0.357939 0.327384} Si1 83 -1 8 {} O 0.0 {0.50515 0.344922 0.335819} O1 84 -1 14 {} Si 0.0 {0.497583 0.331414 0.33924} Si2 85 -1 8 {} O 0.0 {0.498244 0.330495 0.354956} O2 86 -1 14 {} Si 0.0 {0.500694 0.333478 0.370383} Si3 87 -1 7 {} N 0.0 {0.540133 0.36162 0.377335} N1 88 -1 14 {} Si 0.0 {0.53975 0.357184 0.396572} Si4 89 -1 14 {} Si 0.0 {0.524586 0.366576 0.374958} Si5 90 -1 7 {} N 0.0 {0.558644 0.34981 0.399648} N2 91 -1 7 {} N 0.0 {0.529924 0.339005 0.397734} N3 92 -1 7 {} N 0.0 {0.53141 0.365974 0.412489} N4 93 -1 7 {} N 0.0 {0.517282 0.379162 0.385976} N5 94 -1 7 {} N 0.0 {0.525405 0.375094 0.357355} N6 95 -1 7 {} N 0.0 {0.513096 0.350637 0.372112} N7 96 -1 8 {} O 0.0 {0.490617 0.360163 0.316769} O3 97 -1 6 {} C 0.0 {0.524912 0.361607 0.320964} C1 98 -1 8 {} O 0.0 {0.502197 0.367045 0.338848} O4 99 -1 7 {} N 0.0 {0.507507 0.323132 0.381374} N8 100 -1 8 {} O 0.0 {0.48614 0.340247 0.371716} O5 101 -1 1 {} H 0.0 {0.505912 0.318339 0.333954} H1 102 -1 1 {} H 0.0 {0.482828 0.332503 0.333805} H2 103 -1 1 {} H 0.0 {0.563903 0.355269 0.392774} H3 104 -1 1 {} H 0.0 {0.555558 0.340922 0.394792} H4 105 -1 1 {} H 0.0 {0.533525 0.336412 0.40705} H5 106 -1 1 {} H 0.0 {0.536002 0.334881 0.390495} H6 107 -1 1 {} H 0.0 {0.522125 0.366582 0.408451} H7 108 -1 1 {} H 0.0 {0.530628 0.357869 0.418658} H8 109 -1 1 {} H 0.0 {0.525484 0.382038 0.390999} H9 110 -1 1 {} H 0.0 {0.514179 0.387684 0.381114} H10 111 -1 1 {} H 0.0 {0.535131 0.373083 0.35558} H11 112 -1 1 {} H 0.0 {0.524152 0.384875 0.359264} H12 113 -1 1 {} H 0.0 {0.520387 0.34702 0.366478} H13 114 -1 1 {} H 0.0 {0.515712 0.348706 0.381878} H14 115 -1 1 {} H 0.0 {0.490533 0.369424 0.312131} H15 116 -1 1 {} H 0.0 {0.524587 0.370333 0.3151} H16 117 -1 1 {} H 0.0 {0.528705 0.353036 0.31595} H17 118 -1 1 {} H 0.0 {0.530251 0.364605 0.329876} H18 119 -1 1 {} H 0.0 {0.508869 0.369375 0.344788} H19 120 -1 1 {} H 0.0 {0.500803 0.315544 0.383904} H20 121 -1 1 {} H 0.0 {0.463368 0.319267 0.289018} H21 122 -1 1 {} H 0.0 {0.487218 0.349842 0.373812} H22 123 -1 14 {} Si 0.0 {0.622241 0.499191 0.36165} Si1 124 -1 8 {} O 0.0 {0.609019 0.505219 0.367547} O1 125 -1 14 {} Si 0.0 {0.603328 0.514596 0.379038} Si2 126 -1 8 {} O 0.0 {0.613174 0.510639 0.391062} O2 127 -1 14 {} Si 0.0 {0.626108 0.509506 0.399269} Si3 128 -1 7 {} N 0.0 {0.624337 0.52472 0.411624} N1 129 -1 14 {} Si 0.0 {0.628593 0.540286 0.4086} Si4 130 -1 14 {} Si 0.0 {0.612022 0.521952 0.42247} Si5 131 -1 7 {} N 0.0 {0.625034 0.554538 0.421898} N2 132 -1 7 {} N 0.0 {0.619322 0.547643 0.393515} N3 133 -1 7 {} N 0.0 {0.646655 0.541258 0.403745} N4 134 -1 7 {} N 0.0 {0.599001 0.535928 0.423927} N5 135 -1 7 {} N 0.0 {0.599974 0.507892 0.417005} N6 136 -1 7 {} N 0.0 {0.617186 0.517602 0.441} N7 137 -1 8 {} O 0.0 {0.616643 0.500623 0.346968} O3 138 -1 6 {} C 0.0 {0.629804 0.483284 0.367518} C1 139 -1 8 {} O 0.0 {0.635202 0.515881 0.362427} O4 140 -1 7 {} N 0.0 {0.643549 0.510614 0.391493} N8 141 -1 8 {} O 0.0 {0.623753 0.495818 0.406546} O5 142 -1 1 {} H 0.0 {0.589976 0.507838 0.383676} H1 143 -1 1 {} H 0.0 {0.602758 0.559447 0.375596} H2 144 -1 1 {} H 0.0 {0.615739 0.556622 0.417802} H3 145 -1 1 {} H 0.0 {0.631434 0.561332 0.418644} H4 146 -1 1 {} H 0.0 {0.617224 0.556562 0.39665} H5 147 -1 1 {} H 0.0 {0.610858 0.54207 0.392783} H6 148 -1 1 {} H 0.0 {0.64503 0.538153 0.393789} H7 149 -1 1 {} H 0.0 {0.647483 0.551431 0.403889} H8 150 -1 1 {} H 0.0 {0.602855 0.541804 0.431914} H9 151 -1 1 {} H 0.0 {0.600878 0.540979 0.415817} H10 152 -1 1 {} H 0.0 {0.600734 0.50738 0.406835} H11 153 -1 1 {} H 0.0 {0.59133 0.512055 0.419212} H12 154 -1 1 {} H 0.0 {0.627118 0.519359 0.44042} H13 155 -1 1 {} H 0.0 {0.612416 0.525343 0.444817} H14 156 -1 1 {} H 0.0 {0.618491 0.509683 0.343609} H15 157 -1 1 {} H 0.0 {0.631879 0.47855 0.358312} H16 158 -1 1 {} H 0.0 {0.622584 0.478052 0.37374} H17 159 -1 1 {} H 0.0 {0.63923 0.485933 0.372216} H18 160 -1 1 {} H 0.0 {0.638855 0.513773 0.372215} H19 161 -1 1 {} H 0.0 {0.645723 0.500581 0.389999} H20 162 -1 1 {} H 0.0 {0.64907 0.513417 0.399872} H21 163 -1 1 {} H 0.0 {0.61427 0.494703 0.41033} H22 164 -1 14 {} Si 0.0 {0.446138 0.503748 0.27618} Si1 165 -1 8 {} O 0.0 {0.458397 0.498091 0.269278} O1 166 -1 14 {} Si 0.0 {0.469461 0.48869 0.262899} Si2 167 -1 8 {} O 0.0 {0.463287 0.474428 0.264731} O2 168 -1 14 {} Si 0.0 {0.461874 0.460605 0.272612} Si3 169 -1 7 {} N 0.0 {0.474975 0.456823 0.282187} N1 170 -1 14 {} Si 0.0 {0.484656 0.498885 0.315533} Si4 171 -1 14 {} Si 0.0 {0.490262 0.454104 0.285087} Si5 172 -1 7 {} N 0.0 {0.4833 0.526563 0.348167} N2 173 -1 7 {} N 0.0 {0.478202 0.499677 0.299689} N3 174 -1 7 {} N 0.0 {0.493309 0.511983 0.320419} N4 175 -1 7 {} N 0.0 {0.501464 0.470107 0.28402} N5 176 -1 7 {} N 0.0 {0.496082 0.438837 0.274962} N6 177 -1 7 {} N 0.0 {0.231435 0.590126 0.356768} N7 178 -1 8 {} O 0.0 {0.433894 0.490414 0.265684} O3 179 -1 6 {} C 0.0 {0.439557 0.528063 0.279122} C1 180 -1 8 {} O 0.0 {0.443838 0.516044 0.265756} O4 181 -1 7 {} N 0.0 {0.463183 0.447117 0.258553} N8 182 -1 8 {} O 0.0 {0.448579 0.462807 0.28117} O5 183 -1 1 {} H 0.0 {0.482538 0.491725 0.270585} H1 184 -1 1 {} H 0.0 {0.472051 0.490403 0.248327} H2 185 -1 1 {} H 0.0 {0.474659 0.531709 0.348878} H3 186 -1 1 {} H 0.0 {0.691144 0.470895 0.582428} H4 187 -1 1 {} H 0.0 {0.479139 0.508729 0.295446} H5 188 -1 1 {} H 0.0 {0.468106 0.49819 0.300859} H6 189 -1 1 {} H 0.0 {0.490353 0.52035 0.314566} H7 190 -1 1 {} H 0.0 {0.492012 0.515563 0.330582} H8 191 -1 1 {} H 0.0 {0.495569 0.476753 0.288585} H9 192 -1 1 {} H 0.0 {0.508441 0.468024 0.291401} H10 193 -1 1 {} H 0.0 {0.505692 0.440978 0.275247} H11 194 -1 1 {} H 0.0 {0.493891 0.432492 0.282789} H12 195 -1 1 {} H 0.0 {0.223558 0.58752 0.36222} H13 196 -1 1 {} H 0.0 {0.2362 0.587546 0.347736} H14 197 -1 1 {} H 0.0 {0.440381 0.483268 0.265625} H15 198 -1 1 {} H 0.0 {0.435154 0.534593 0.27223} H16 199 -1 1 {} H 0.0 {0.446687 0.533359 0.284485} H17 200 -1 1 {} H 0.0 {0.431382 0.526528 0.286122} H18 201 -1 1 {} H 0.0 {0.452378 0.519896 0.263371} H19 202 -1 1 {} H 0.0 {0.462036 0.453105 0.250327} H20 203 -1 1 {} H 0.0 {0.473444 0.444722 0.259429} H21 204 -1 1 {} H 0.0 {0.451495 0.466955 0.289201} H22 205 -1 14 {} Si 0.0 {0.469583 0.698852 0.626151} Si1 206 -1 8 {} O 0.0 {0.454431 0.699196 0.628376} O1 207 -1 14 {} Si 0.0 {0.443134 0.700883 0.638764} Si2 208 -1 8 {} O 0.0 {0.470319 0.685393 0.617827} O2 209 -1 14 {} Si 0.0 {0.473674 0.670336 0.620074} Si3 210 -1 7 {} N 0.0 {0.40878 0.613246 0.595839} N1 211 -1 14 {} Si 0.0 {0.419434 0.612381 0.60743} Si4 212 -1 14 {} Si 0.0 {0.406101 0.624142 0.584605} Si5 213 -1 7 {} N 0.0 {0.413689 0.595471 0.615833} N2 214 -1 7 {} N 0.0 {0.416997 0.624419 0.621773} N3 215 -1 7 {} N 0.0 {0.437502 0.611674 0.601081} N4 216 -1 7 {} N 0.0 {0.412188 0.619214 0.567017} N5 217 -1 7 {} N 0.0 {0.448193 0.625952 0.57286} N6 218 -1 7 {} N 0.0 {0.419248 0.638823 0.58773} N7 219 -1 8 {} O 0.0 {0.451689 0.655897 0.559078} O3 220 -1 6 {} C 0.0 {0.652344 0.649299 0.642934} C1 221 -1 8 {} O 0.0 {0.500323 0.664164 0.635703} O4 222 -1 7 {} N 0.0 {0.453407 0.582048 0.609437} N8 223 -1 8 {} O 0.0 {0.533127 0.694128 0.626727} O5 224 -1 1 {} H 0.0 {0.445184 0.689846 0.611746} H1 225 -1 1 {} H 0.0 {0.436959 0.713068 0.63537} H2 226 -1 1 {} H 0.0 {0.40628 0.592395 0.609813} H3 227 -1 1 {} H 0.0 {0.408914 0.598842 0.624143} H4 228 -1 1 {} H 0.0 {0.423636 0.620246 0.6283} H5 229 -1 1 {} H 0.0 {0.422109 0.632991 0.619546} H6 230 -1 1 {} H 0.0 {0.435795 0.610475 0.591214} H7 231 -1 1 {} H 0.0 {0.440807 0.620728 0.60196} H8 232 -1 1 {} H 0.0 {0.421956 0.618575 0.566948} H9 233 -1 1 {} H 0.0 {0.408183 0.60973 0.56555} H10 234 -1 1 {} H 0.0 {0.444477 0.633515 0.566432} H11 235 -1 1 {} H 0.0 {0.452589 0.618884 0.566299} H12 236 -1 1 {} H 0.0 {0.421118 0.635346 0.596897} H13 237 -1 1 {} H 0.0 {0.426729 0.634378 0.582624} H14 238 -1 1 {} H 0.0 {0.453026 0.665806 0.557001} H15 239 -1 1 {} H 0.0 {0.507007 0.662664 0.629031} H16 240 -1 1 {} H 0.0 {0.661224 0.652829 0.638627} H17 241 -1 1 {} H 0.0 {0.652497 0.648286 0.653679} H18 242 -1 1 {} H 0.0 {0.497581 0.654589 0.637978} H19 243 -1 1 {} H 0.0 {0.450057 0.581267 0.599866} H20 244 -1 1 {} H 0.0 {0.460376 0.574628 0.609879} H21 245 -1 1 {} H 0.0 {0.266997 0.681261 0.537532} H22 246 -1 14 {} Si 0.0 {0.617653 0.602744 0.50437} Si1 247 -1 8 {} O 0.0 {0.623587 0.58834 0.507831} O1 248 -1 14 {} Si 0.0 {0.65009 0.563269 0.516527} Si2 249 -1 8 {} O 0.0 {0.657634 0.574175 0.523573} O2 250 -1 14 {} Si 0.0 {0.670319 0.584171 0.523907} Si3 251 -1 7 {} N 0.0 {0.685792 0.578285 0.534735} N1 252 -1 14 {} Si 0.0 {0.688621 0.563087 0.530954} Si4 253 -1 14 {} Si 0.0 {0.69391 0.581997 0.548527} Si5 254 -1 7 {} N 0.0 {0.657725 0.522837 0.540156} N2 255 -1 7 {} N 0.0 {0.677551 0.548942 0.535164} N3 256 -1 7 {} N 0.0 {0.702244 0.559352 0.517629} N4 257 -1 7 {} N 0.0 {0.681064 0.591678 0.558934} N5 258 -1 7 {} N 0.0 {0.696343 0.564618 0.559686} N6 259 -1 7 {} N 0.0 {0.710379 0.591274 0.545163} N7 260 -1 8 {} O 0.0 {0.612088 0.599716 0.489855} O3 261 -1 6 {} C 0.0 {0.626862 0.619016 0.50643} C1 262 -1 8 {} O 0.0 {0.60388 0.602469 0.51235} O4 263 -1 7 {} N 0.0 {0.666021 0.600593 0.533035} N8 264 -1 8 {} O 0.0 {0.676183 0.583956 0.508506} O5 265 -1 1 {} H 0.0 {0.655572 0.562154 0.50213} H1 266 -1 1 {} H 0.0 {0.635978 0.568056 0.514423} H2 267 -1 1 {} H 0.0 {0.652956 0.52893 0.54679} H3 268 -1 1 {} H 0.0 {0.657808 0.527758 0.531341} H4 269 -1 1 {} H 0.0 {0.676934 0.549614 0.545946} H5 270 -1 1 {} H 0.0 {0.668696 0.551951 0.531358} H6 271 -1 1 {} H 0.0 {0.710749 0.557516 0.522687} H7 272 -1 1 {} H 0.0 {0.697963 0.55099 0.514062} H8 273 -1 1 {} H 0.0 {0.683261 0.593492 0.568848} H9 274 -1 1 {} H 0.0 {0.674275 0.583535 0.559297} H10 275 -1 1 {} H 0.0 {0.698212 0.559012 0.551447} H11 276 -1 1 {} H 0.0 {0.705185 0.56664 0.564485} H12 277 -1 1 {} H 0.0 {0.713006 0.589501 0.535512} H13 278 -1 1 {} H 0.0 {0.71718 0.586388 0.550715} H14 279 -1 1 {} H 0.0 {0.615758 0.591553 0.486548} H15 280 -1 1 {} H 0.0 {0.635216 0.618925 0.499552} H16 281 -1 1 {} H 0.0 {0.630628 0.620612 0.516509} H17 282 -1 1 {} H 0.0 {0.62058 0.626444 0.502746} H18 283 -1 1 {} H 0.0 {0.597928 0.598907 0.505846} H19 284 -1 1 {} H 0.0 {0.674418 0.601004 0.538594} H20 285 -1 1 {} H 0.0 {0.659437 0.597011 0.53957} H21 286 -1 1 {} H 0.0 {0.669501 0.585281 0.502057} H22 287 -1 14 {} Si 0.0 {0.465148 0.392568 0.684443} Si1 288 -1 8 {} O 0.0 {0.46817 0.390673 0.669405} O1 289 -1 14 {} Si 0.0 {0.472985 0.382951 0.656895} Si2 290 -1 8 {} O 0.0 {0.487592 0.378332 0.659722} O2 291 -1 14 {} Si 0.0 {0.493184 0.385493 0.68791} Si3 292 -1 7 {} N 0.0 {0.506911 0.4015 0.673168} N1 293 -1 14 {} Si 0.0 {0.35268 0.417875 0.662038} Si4 294 -1 14 {} Si 0.0 {0.498699 0.414154 0.667273} Si5 295 -1 7 {} N 0.0 {0.419219 0.409794 0.662421} N2 296 -1 7 {} N 0.0 {0.342476 0.427503 0.671799} N3 297 -1 7 {} N 0.0 {0.518982 0.284516 0.60657} N4 298 -1 7 {} N 0.0 {0.544814 0.424465 0.659735} N5 299 -1 7 {} N 0.0 {0.492622 0.420546 0.65391} N6 300 -1 7 {} N 0.0 {0.486885 0.47514 0.627168} N7 301 -1 8 {} O 0.0 {0.620589 0.420539 0.33645} O3 302 -1 6 {} C 0.0 {0.59311 0.40742 0.362486} C1 303 -1 8 {} O 0.0 {0.460304 0.376794 0.685113} O4 304 -1 7 {} N 0.0 {0.504954 0.354762 0.621638} N8 305 -1 8 {} O 0.0 {0.479052 0.390621 0.692462} O5 306 -1 1 {} H 0.0 {0.472527 0.392039 0.643247} H1 307 -1 1 {} H 0.0 {0.463546 0.36941 0.656337} H2 308 -1 1 {} H 0.0 {0.424079 0.41761 0.665828} H3 309 -1 1 {} H 0.0 {0.414255 0.404695 0.669922} H4 310 -1 1 {} H 0.0 {0.339936 0.435587 0.665897} H5 311 -1 1 {} H 0.0 {0.349475 0.431715 0.678434} H6 312 -1 1 {} H 0.0 {0.525822 0.281076 0.599783} H7 313 -1 1 {} H 0.0 {0.520665 0.294683 0.605882} H8 314 -1 1 {} H 0.0 {0.541216 0.415027 0.660026} H9 315 -1 1 {} H 0.0 {0.541249 0.427787 0.650296} H10 316 -1 1 {} H 0.0 {0.47807 0.367297 0.683542} H11 317 -1 1 {} H 0.0 {0.409062 0.471663 0.610718} H12 318 -1 1 {} H 0.0 {0.48489 0.467951 0.633876} H13 319 -1 1 {} H 0.0 {0.480672 0.482748 0.629062} H14 320 -1 1 {} H 0.0 {0.627444 0.426638 0.339248} H15 321 -1 1 {} H 0.0 {0.596969 0.400608 0.369794} H16 322 -1 1 {} H 0.0 {0.600585 0.412794 0.357046} H17 323 -1 1 {} H 0.0 {0.411317 0.413852 0.656661} H18 324 -1 1 {} H 0.0 {0.450291 0.375817 0.682465} H19 325 -1 1 {} H 0.0 {0.500823 0.351648 0.630614} H20 326 -1 1 {} H 0.0 {0.502328 0.364987 0.622696} H21 327 -1 1 {} H 0.0 {0.527539 0.377733 0.685756} H22 328 -1 14 {} Si 0.0 {0.374383 0.389093 0.578154} Si1 329 -1 8 {} O 0.0 {0.378798 0.394701 0.563647} O1 330 -1 14 {} Si 0.0 {0.378242 0.396913 0.548285} Si2 331 -1 8 {} O 0.0 {0.375809 0.382658 0.542086} O2 332 -1 14 {} Si 0.0 {0.370448 0.367739 0.541255} Si3 333 -1 7 {} N 0.0 {0.357642 0.360003 0.553753} N1 334 -1 14 {} Si 0.0 {0.354311 0.347238 0.563207} Si4 335 -1 14 {} Si 0.0 {0.343269 0.366883 0.550607} Si5 336 -1 7 {} N 0.0 {0.337464 0.347816 0.572033} N2 337 -1 7 {} N 0.0 {0.366616 0.347996 0.578089} N3 338 -1 7 {} N 0.0 {0.353248 0.328105 0.554419} N4 339 -1 7 {} N 0.0 {0.35705 0.343103 0.522148} N5 340 -1 7 {} N 0.0 {0.336004 0.380145 0.561147} N6 341 -1 7 {} N 0.0 {0.330823 0.359726 0.536641} N7 342 -1 8 {} O 0.0 {0.359581 0.381603 0.576307} O3 343 -1 6 {} C 0.0 {0.377255 0.40059 0.593035} C1 344 -1 8 {} O 0.0 {0.38402 0.376075 0.576265} O4 345 -1 7 {} N 0.0 {0.383036 0.353787 0.536821} N8 346 -1 8 {} O 0.0 {0.360223 0.370647 0.529034} O5 347 -1 1 {} H 0.0 {0.390426 0.401498 0.544429} H1 348 -1 1 {} H 0.0 {0.365223 0.40631 0.543095} H2 349 -1 1 {} H 0.0 {0.335586 0.357847 0.57241} H3 350 -1 1 {} H 0.0 {0.331852 0.343979 0.564913} H4 351 -1 1 {} H 0.0 {0.374771 0.342605 0.573984} H5 352 -1 1 {} H 0.0 {0.368868 0.357985 0.577633} H6 353 -1 1 {} H 0.0 {0.343672 0.322963 0.556535} H7 354 -1 1 {} H 0.0 {0.353298 0.330561 0.544727} H8 355 -1 1 {} H 0.0 {0.35853 0.351684 0.528195} H9 356 -1 1 {} H 0.0 {0.354566 0.34473 0.512135} H10 357 -1 1 {} H 0.0 {0.338533 0.388603 0.556183} H11 358 -1 1 {} H 0.0 {0.340071 0.380069 0.570332} H12 359 -1 1 {} H 0.0 {0.326969 0.36865 0.533145} H13 360 -1 1 {} H 0.0 {0.337206 0.357339 0.529773} H14 361 -1 1 {} H 0.0 {0.359233 0.376298 0.567968} H15 362 -1 1 {} H 0.0 {0.376104 0.410665 0.589645} H16 363 -1 1 {} H 0.0 {0.387463 0.398062 0.597029} H17 364 -1 1 {} H 0.0 {0.369815 0.397668 0.599566} H18 365 -1 1 {} H 0.0 {0.392491 0.377789 0.580828} H19 366 -1 1 {} H 0.0 {0.383666 0.34851 0.545645} H20 367 -1 1 {} H 0.0 {0.391734 0.358967 0.536188} H21 368 -1 1 {} H 0.0 {0.350185 0.371354 0.533281} H22 369 -1 14 {} Si 0.0 {0.715268 0.485824 0.461065} Si1 370 -1 8 {} O 0.0 {0.704023 0.489299 0.471787} O1 371 -1 14 {} Si 0.0 {0.689263 0.489858 0.473045} Si2 372 -1 8 {} O 0.0 {0.683672 0.488636 0.459047} O2 373 -1 14 {} Si 0.0 {0.676132 0.479758 0.448385} Si3 374 -1 7 {} N 0.0 {0.67009 0.489786 0.432885} N1 375 -1 14 {} Si 0.0 {0.680764 0.492505 0.420043} Si4 376 -1 14 {} Si 0.0 {0.65491 0.496074 0.430735} Si5 377 -1 7 {} N 0.0 {0.688771 0.475806 0.414671} N2 378 -1 7 {} N 0.0 {0.693776 0.505782 0.42429} N3 379 -1 7 {} N 0.0 {0.672269 0.497795 0.403872} N4 380 -1 7 {} N 0.0 {0.644723 0.485065 0.422618} N5 381 -1 7 {} N 0.0 {0.648752 0.49923 0.449561} N6 382 -1 7 {} N 0.0 {0.654797 0.513837 0.424006} N7 383 -1 8 {} O 0.0 {0.713607 0.470207 0.460336} O3 384 -1 6 {} C 0.0 {0.721911 0.497009 0.450254} C1 385 -1 8 {} O 0.0 {0.362451 0.499712 0.400245} O4 386 -1 7 {} N 0.0 {0.660372 0.468446 0.453446} N8 387 -1 8 {} O 0.0 {0.688986 0.471777 0.444452} O5 388 -1 1 {} H 0.0 {0.681385 0.513828 0.461954} H1 389 -1 1 {} H 0.0 {0.684563 0.475518 0.479541} H2 390 -1 1 {} H 0.0 {0.686754 0.474815 0.40491} H3 391 -1 1 {} H 0.0 {0.699253 0.476233 0.41518} H4 392 -1 1 {} H 0.0 {0.694208 0.506783 0.434253} H5 393 -1 1 {} H 0.0 {0.688872 0.513626 0.420314} H6 394 -1 1 {} H 0.0 {0.678497 0.504931 0.40018} H7 395 -1 1 {} H 0.0 {0.663465 0.502078 0.407061} H8 396 -1 1 {} H 0.0 {0.648342 0.482805 0.41387} H9 397 -1 1 {} H 0.0 {0.635746 0.490182 0.421568} H10 398 -1 1 {} H 0.0 {0.655453 0.506225 0.451606} H11 399 -1 1 {} H 0.0 {0.640765 0.504792 0.446775} H12 400 -1 1 {} H 0.0 {0.645051 0.514796 0.421249} H13 401 -1 1 {} H 0.0 {0.655248 0.518332 0.432864} H14 402 -1 1 {} H 0.0 {0.436734 0.493702 0.256497} H15 403 -1 1 {} H 0.0 {0.716135 0.505717 0.451497} H16 404 -1 1 {} H 0.0 {0.719895 0.490183 0.435673} H17 405 -1 1 {} H 0.0 {0.732375 0.49931 0.45268} H18 406 -1 1 {} H 0.0 {0.365238 0.509392 0.39906} H19 407 -1 1 {} H 0.0 {0.659171 0.471881 0.463394} H20 408 -1 1 {} H 0.0 {0.653706 0.474377 0.448653} H21 409 -1 1 {} H 0.0 {0.689679 0.471613 0.434757} H22 410 -1 14 {} Si 0.0 {0.579058 0.669924 0.61186} Si1 411 -1 8 {} O 0.0 {0.493319 0.297064 0.560087} O1 412 -1 14 {} Si 0.0 {0.501818 0.293161 0.546971} Si2 413 -1 8 {} O 0.0 {0.503542 0.30778 0.540582} O2 414 -1 14 {} Si 0.0 {0.47714 0.296304 0.562658} Si3 415 -1 7 {} N 0.0 {0.469299 0.310393 0.567874} N1 416 -1 14 {} Si 0.0 {0.45349 0.321359 0.560679} Si4 417 -1 14 {} Si 0.0 {0.468462 0.318266 0.581842} Si5 418 -1 7 {} N 0.0 {0.633098 0.672124 0.715294} N2 419 -1 7 {} N 0.0 {0.577884 0.714459 0.582162} N3 420 -1 7 {} N 0.0 {0.457156 0.333098 0.551736} N4 421 -1 7 {} N 0.0 {0.481187 0.329166 0.585983} N5 422 -1 7 {} N 0.0 {0.436416 0.312648 0.555651} N6 423 -1 7 {} N 0.0 {0.464507 0.308059 0.595752} N7 424 -1 8 {} O 0.0 {0.596657 0.663022 0.601465} O3 425 -1 6 {} C 0.0 {0.593465 0.675148 0.612472} C1 426 -1 8 {} O 0.0 {0.733593 0.342539 0.399591} O4 427 -1 7 {} N 0.0 {0.468505 0.282317 0.571866} N8 428 -1 8 {} O 0.0 {0.48025 0.288707 0.544141} O5 429 -1 1 {} H 0.0 {0.29492 0.58601 0.530912} H1 430 -1 1 {} H 0.0 {0.722239 0.0192107 0.359065} H2 431 -1 1 {} H 0.0 {0.630223 0.67924 0.72223} H3 432 -1 1 {} H 0.0 {0.624412 0.667325 0.712382} H4 433 -1 1 {} H 0.0 {0.447258 0.705905 0.329892} H5 434 -1 1 {} H 0.0 {0.58751 0.71071 0.581905} H6 435 -1 1 {} H 0.0 {0.0944298 0.487709 0.150396} H7 436 -1 1 {} H 0.0 {0.572344 0.708283 0.588411} H8 437 -1 1 {} H 0.0 {0.487379 0.328941 0.577125} H9 438 -1 1 {} H 0.0 {0.487147 0.323927 0.592485} H10 439 -1 1 {} H 0.0 {0.437149 0.30366 0.559718} H11 440 -1 1 {} H 0.0 {0.437983 0.311727 0.545586} H12 441 -1 1 {} H 0.0 {0.471064 0.311968 0.602858} H13 442 -1 1 {} H 0.0 {0.467903 0.298382 0.593462} H14 443 -1 1 {} H 0.0 {0.5971 0.667866 0.593458} H15 444 -1 1 {} H 0.0 {0.601359 0.40207 0.333928} H16 445 -1 1 {} H 0.0 {0.59585 0.407747 0.331435} H17 446 -1 1 {} H 0.0 {0.597613 0.684555 0.614219} H18 447 -1 1 {} H 0.0 {0.742435 0.339674 0.396009} H19 448 -1 1 {} H 0.0 {0.475464 0.279597 0.578655} H20 449 -1 1 {} H 0.0 {0.469378 0.274775 0.564115} H21 450 -1 1 {} H 0.0 {0.47888 0.295638 0.537784} H22 451 -1 14 {} Si 0.0 {0.417848 0.320637 0.278778} Si1 452 -1 8 {} O 0.0 {0.415967 0.322629 0.295222} O1 453 -1 14 {} Si 0.0 {0.407959 0.327049 0.307832} Si2 454 -1 8 {} O 0.0 {0.394693 0.331175 0.301295} O2 455 -1 14 {} Si 0.0 {0.378801 0.330006 0.296643} Si3 456 -1 7 {} N 0.0 {0.375481 0.315686 0.289495} N1 457 -1 14 {} Si 0.0 {0.678152 0.317805 0.388938} Si4 458 -1 14 {} Si 0.0 {0.334555 0.392265 0.623327} Si5 459 -1 7 {} N 0.0 {0.672952 0.29976 0.392503} N2 460 -1 7 {} N 0.0 {0.332274 0.499766 0.491176} N3 461 -1 7 {} N 0.0 {0.684262 0.322351 0.406014} N4 462 -1 7 {} N 0.0 {0.541956 0.614433 0.285435} N5 463 -1 7 {} N 0.0 {0.319353 0.385026 0.632213} N6 464 -1 7 {} N 0.0 {0.330402 0.398363 0.608628} N7 465 -1 8 {} O 0.0 {0.428056 0.33202 0.275462} O3 466 -1 6 {} C 0.0 {0.40269 0.318238 0.26612} C1 467 -1 8 {} O 0.0 {0.426792 0.308729 0.280892} O4 468 -1 7 {} N 0.0 {0.379866 0.343812 0.281646} N8 469 -1 8 {} O 0.0 {0.371233 0.334934 0.309523} O5 470 -1 1 {} H 0.0 {0.413022 0.339094 0.3123} H1 471 -1 1 {} H 0.0 {0.548504 0.61133 0.292757} H2 472 -1 1 {} H 0.0 {0.676206 0.296469 0.383245} H3 473 -1 1 {} H 0.0 {0.681025 0.29721 0.398427} H4 474 -1 1 {} H 0.0 {0.469655 0.410234 0.272686} H5 475 -1 1 {} H 0.0 {0.341028 0.752436 0.623251} H6 476 -1 1 {} H 0.0 {0.693762 0.325867 0.404774} H7 477 -1 1 {} H 0.0 {0.679303 0.330806 0.408321} H8 478 -1 1 {} H 0.0 {0.54295 0.62424 0.282324} H9 479 -1 1 {} H 0.0 {0.380266 0.610657 0.627894} H10 480 -1 1 {} H 0.0 {0.32304 0.380077 0.640082} H11 481 -1 1 {} H 0.0 {0.315672 0.378645 0.624838} H12 482 -1 1 {} H 0.0 {0.386809 0.608426 0.624943} H13 483 -1 1 {} H 0.0 {0.435632 0.336621 0.257423} H14 484 -1 1 {} H 0.0 {0.430063 0.338369 0.282925} H15 485 -1 1 {} H 0.0 {0.399642 0.328358 0.262041} H16 486 -1 1 {} H 0.0 {0.395232 0.313688 0.271796} H17 487 -1 1 {} H 0.0 {0.406232 0.312548 0.257667} H18 488 -1 1 {} H 0.0 {0.435764 0.311229 0.283493} H19 489 -1 1 {} H 0.0 {0.371513 0.348626 0.285019} H20 490 -1 1 {} H 0.0 {0.387385 0.349972 0.284389} H21 491 -1 1 {} H 0.0 {0.376942 0.340528 0.314852} H22 492 -1 14 {} Si 0.0 {0.483578 0.593932 0.587051} Si1 493 -1 8 {} O 0.0 {0.49622 0.6025 0.58406} O1 494 -1 14 {} Si 0.0 {0.508503 0.610587 0.579012} Si2 495 -1 8 {} O 0.0 {0.517825 0.598013 0.577891} O2 496 -1 14 {} Si 0.0 {0.526235 0.586996 0.584903} Si3 497 -1 7 {} N 0.0 {0.544859 0.584312 0.579644} N1 498 -1 14 {} Si 0.0 {0.554284 0.575616 0.569583} Si4 499 -1 14 {} Si 0.0 {0.547305 0.599507 0.584113} Si5 500 -1 7 {} N 0.0 {0.546563 0.557256 0.568311} N2 501 -1 7 {} N 0.0 {0.570275 0.573949 0.577508} N3 502 -1 7 {} N 0.0 {0.55322 0.584914 0.552516} N4 503 -1 7 {} N 0.0 {0.510464 0.61187 0.639307} N5 504 -1 7 {} N 0.0 {0.550273 0.612873 0.570945} N6 505 -1 7 {} N 0.0 {0.555457 0.601476 0.600928} N7 506 -1 8 {} O 0.0 {0.473944 0.606966 0.588644} O3 507 -1 6 {} C 0.0 {0.479754 0.577684 0.580562} C1 508 -1 8 {} O 0.0 {0.460744 0.53822 0.57166} O4 509 -1 7 {} N 0.0 {0.520361 0.570065 0.590779} N8 510 -1 8 {} O 0.0 {0.523521 0.592358 0.606049} O5 511 -1 1 {} H 0.0 {0.485917 0.632943 0.612523} H1 512 -1 1 {} H 0.0 {0.505562 0.614699 0.566342} H2 513 -1 1 {} H 0.0 {0.536722 0.560188 0.568245} H3 514 -1 1 {} H 0.0 {0.548511 0.554828 0.577962} H4 515 -1 1 {} H 0.0 {0.573018 0.583858 0.580831} H5 516 -1 1 {} H 0.0 {0.629064 0.337782 0.418569} H6 517 -1 1 {} H 0.0 {0.543008 0.584303 0.550119} H7 518 -1 1 {} H 0.0 {0.558519 0.578089 0.546192} H8 519 -1 1 {} H 0.0 {0.506775 0.60402 0.633696} H9 520 -1 1 {} H 0.0 {0.520476 0.609129 0.639964} H10 521 -1 1 {} H 0.0 {0.548476 0.609324 0.56168} H11 522 -1 1 {} H 0.0 {0.544362 0.620981 0.572588} H12 523 -1 1 {} H 0.0 {0.565284 0.602293 0.598045} H13 524 -1 1 {} H 0.0 {0.554766 0.592224 0.604955} H14 525 -1 1 {} H 0.0 {0.478167 0.613206 0.594905} H15 526 -1 1 {} H 0.0 {0.457489 0.573245 0.558838} H16 527 -1 1 {} H 0.0 {0.481642 0.570802 0.588505} H17 528 -1 1 {} H 0.0 {0.486659 0.576174 0.572313} H18 529 -1 1 {} H 0.0 {0.465747 0.538529 0.563441} H19 530 -1 1 {} H 0.0 {0.518255 0.564775 0.582898} H20 531 -1 1 {} H 0.0 {0.512512 0.570559 0.597172} H21 532 -1 1 {} H 0.0 {0.531712 0.597668 0.60849} H22 533 -1 14 {} Si 0.0 {0.458856 0.336379 0.346725} Si1 534 -1 8 {} O 0.0 {0.466614 0.347917 0.339916} O1 535 -1 14 {} Si 0.0 {0.467033 0.363704 0.336785} Si2 536 -1 8 {} O 0.0 {0.471724 0.366798 0.351866} O2 537 -1 14 {} Si 0.0 {0.476956 0.377858 0.363064} Si3 538 -1 7 {} N 0.0 {0.48149 0.39656 0.358189} N1 539 -1 14 {} Si 0.0 {0.48861 0.407565 0.367424} Si4 540 -1 14 {} Si 0.0 {0.478327 0.400139 0.342635} Si5 541 -1 7 {} N 0.0 {0.481766 0.425457 0.364498} N2 542 -1 7 {} N 0.0 {0.508372 0.404817 0.369346} N3 543 -1 7 {} N 0.0 {0.48331 0.40308 0.385044} N4 544 -1 7 {} N 0.0 {0.468889 0.384819 0.333361} N5 545 -1 7 {} N 0.0 {0.465159 0.413944 0.340401} N6 546 -1 7 {} N 0.0 {0.493617 0.40134 0.329806} N7 547 -1 8 {} O 0.0 {0.447205 0.349853 0.356678} O3 548 -1 6 {} C 0.0 {0.469761 0.322995 0.354276} C1 549 -1 8 {} O 0.0 {0.449445 0.333716 0.334033} O4 550 -1 7 {} N 0.0 {0.490612 0.372713 0.374674} N8 551 -1 8 {} O 0.0 {0.46314 0.375712 0.370209} O5 552 -1 1 {} H 0.0 {0.451671 0.365771 0.33489} H1 553 -1 1 {} H 0.0 {0.481351 0.362941 0.325459} H2 554 -1 1 {} H 0.0 {0.486633 0.432025 0.370588} H3 555 -1 1 {} H 0.0 {0.472315 0.425204 0.368451} H4 556 -1 1 {} H 0.0 {0.511717 0.412409 0.363605} H5 557 -1 1 {} H 0.0 {0.508701 0.408087 0.378729} H6 558 -1 1 {} H 0.0 {0.474857 0.408454 0.386651} H7 559 -1 1 {} H 0.0 {0.479483 0.393709 0.383169} H8 560 -1 1 {} H 0.0 {0.459959 0.389214 0.33067} H9 561 -1 1 {} H 0.0 {0.47477 0.384719 0.324968} H10 562 -1 1 {} H 0.0 {0.469646 0.421517 0.345442} H11 563 -1 1 {} H 0.0 {0.457998 0.411214 0.346617} H12 564 -1 1 {} H 0.0 {0.499718 0.393759 0.331722} H13 565 -1 1 {} H 0.0 {0.499954 0.409352 0.330003} H14 566 -1 1 {} H 0.0 {0.452399 0.358296 0.356825} H15 567 -1 1 {} H 0.0 {0.464179 0.316316 0.360335} H16 568 -1 1 {} H 0.0 {0.478049 0.326917 0.359936} H17 569 -1 1 {} H 0.0 {0.475315 0.31773 0.347082} H18 570 -1 1 {} H 0.0 {0.451707 0.324871 0.33074} H19 571 -1 1 {} H 0.0 {0.497714 0.368328 0.368637} H20 572 -1 1 {} H 0.0 {0.494301 0.381837 0.376621} H21 573 -1 1 {} H 0.0 {0.458173 0.384661 0.369845} H22 574 -1 14 {} Si 0.0 {0.631487 0.309762 0.435797} Si1 575 -1 8 {} O 0.0 {0.656972 0.683305 0.389178} O1 576 -1 14 {} Si 0.0 {0.662572 0.696129 0.396616} Si2 577 -1 8 {} O 0.0 {0.523811 0.280133 0.624416} O2 578 -1 14 {} Si 0.0 {0.687506 0.690232 0.389515} Si3 579 -1 7 {} N 0.0 {0.678873 0.632516 0.397891} N1 580 -1 14 {} Si 0.0 {0.672487 0.637389 0.383986} Si4 581 -1 14 {} Si 0.0 {0.694195 0.630309 0.40133} Si5 582 -1 7 {} N 0.0 {0.661604 0.654429 0.384727} N2 583 -1 7 {} N 0.0 {0.660445 0.623741 0.376616} N3 584 -1 7 {} N 0.0 {0.685255 0.639494 0.369679} N4 585 -1 7 {} N 0.0 {0.700678 0.611569 0.399306} N5 586 -1 7 {} N 0.0 {0.706834 0.64174 0.391638} N6 587 -1 7 {} N 0.0 {0.695225 0.634518 0.418072} N7 588 -1 8 {} O 0.0 {0.635888 0.320629 0.425313} O3 589 -1 6 {} C 0.0 {0.736708 0.315037 0.429571} C1 590 -1 8 {} O 0.0 {0.63313 0.376718 0.417942} O4 591 -1 7 {} N 0.0 {0.699421 0.714372 0.415116} N8 592 -1 8 {} O 0.0 {0.636648 0.650046 0.40541} O5 593 -1 1 {} H 0.0 {0.656707 0.696952 0.413206} H1 594 -1 1 {} H 0.0 {0.700048 0.281328 0.471473} H2 595 -1 1 {} H 0.0 {0.663181 0.656874 0.394222} H3 596 -1 1 {} H 0.0 {0.652637 0.649078 0.385805} H4 597 -1 1 {} H 0.0 {0.653435 0.621922 0.384002} H5 598 -1 1 {} H 0.0 {0.66517 0.614467 0.376549} H6 599 -1 1 {} H 0.0 {0.681329 0.648309 0.366226} H7 600 -1 1 {} H 0.0 {0.682571 0.63245 0.363001} H8 601 -1 1 {} H 0.0 {0.695768 0.605598 0.405856} H9 602 -1 1 {} H 0.0 {0.709194 0.61336 0.403572} H10 603 -1 1 {} H 0.0 {0.703464 0.640129 0.38247} H11 604 -1 1 {} H 0.0 {0.703038 0.650812 0.394033} H12 605 -1 1 {} H 0.0 {0.72254 0.675773 0.434957} H13 606 -1 1 {} H 0.0 {0.69832 0.626658 0.423151} H14 607 -1 1 {} H 0.0 {0.662688 0.678439 0.420062} H15 608 -1 1 {} H 0.0 {0.7311 0.311425 0.438175} H16 609 -1 1 {} H 0.0 {0.742358 0.307145 0.426151} H17 610 -1 1 {} H 0.0 {0.742797 0.323468 0.429769} H18 611 -1 1 {} H 0.0 {0.635738 0.371849 0.4097} H19 612 -1 1 {} H 0.0 {0.675725 0.297929 0.430757} H20 613 -1 1 {} H 0.0 {0.747334 0.544085 0.436381} H21 614 -1 1 {} H 0.0 {0.638355 0.658248 0.400855} H22 615 -1 14 {} Si 0.0 {0.352242 0.629676 0.328157} Si1 616 -1 8 {} O 0.0 {0.348313 0.6392 0.340252} O1 617 -1 14 {} Si 0.0 {0.372328 0.629296 0.360392} Si2 618 -1 8 {} O 0.0 {0.378715 0.644069 0.361894} O2 619 -1 14 {} Si 0.0 {0.39262 0.649772 0.366417} Si3 620 -1 7 {} N 0.0 {0.397468 0.654779 0.384501} N1 621 -1 14 {} Si 0.0 {0.387061 0.656872 0.397996} Si4 622 -1 14 {} Si 0.0 {0.412425 0.654283 0.390839} Si5 623 -1 7 {} N 0.0 {0.386349 0.674529 0.406969} N2 624 -1 7 {} N 0.0 {0.388091 0.643124 0.41073} N3 625 -1 7 {} N 0.0 {0.37075 0.654954 0.390621} N4 626 -1 7 {} N 0.0 {0.423502 0.664747 0.379009} N5 627 -1 7 {} N 0.0 {0.414762 0.662294 0.407762} N6 628 -1 7 {} N 0.0 {0.419171 0.636212 0.393443} N7 629 -1 8 {} O 0.0 {0.360061 0.645229 0.318932} O3 630 -1 6 {} C 0.0 {0.34114 0.619496 0.320364} C1 631 -1 8 {} O 0.0 {0.37148 0.623118 0.332553} O4 632 -1 7 {} N 0.0 {0.394425 0.667041 0.357653} N8 633 -1 8 {} O 0.0 {0.403568 0.639032 0.361449} O5 634 -1 1 {} H 0.0 {0.372276 0.624732 0.344217} H1 635 -1 1 {} H 0.0 {0.381263 0.616305 0.365903} H2 636 -1 1 {} H 0.0 {0.376432 0.674931 0.407813} H3 637 -1 1 {} H 0.0 {0.389998 0.671682 0.415976} H4 638 -1 1 {} H 0.0 {0.395975 0.637699 0.408271} H5 639 -1 1 {} H 0.0 {0.379903 0.637866 0.408796} H6 640 -1 1 {} H 0.0 {0.373047 0.652849 0.380881} H7 641 -1 1 {} H 0.0 {0.36817 0.645736 0.394466} H8 642 -1 1 {} H 0.0 {0.425589 0.671437 0.385498} H9 643 -1 1 {} H 0.0 {0.416037 0.667384 0.373009} H10 644 -1 1 {} H 0.0 {0.410001 0.671548 0.407042} H11 645 -1 1 {} H 0.0 {0.40829 0.656546 0.413146} H12 646 -1 1 {} H 0.0 {0.426697 0.639476 0.399334} H13 647 -1 1 {} H 0.0 {0.423085 0.633859 0.384168} H14 648 -1 1 {} H 0.0 {0.594638 0.623211 0.538543} H15 649 -1 1 {} H 0.0 {0.336052 0.624901 0.312791} H16 650 -1 1 {} H 0.0 {0.334587 0.615601 0.328295} H17 651 -1 1 {} H 0.0 {0.3499 0.608123 0.311854} H18 652 -1 1 {} H 0.0 {0.377864 0.630259 0.328856} H19 653 -1 1 {} H 0.0 {0.404019 0.667938 0.354931} H20 654 -1 1 {} H 0.0 {0.390004 0.665571 0.348609} H21 655 -1 1 {} H 0.0 {0.408962 0.64346 0.355226} H22 656 -1 14 {} Si 0.0 {0.699168 0.32705 0.468822} Si1 657 -1 8 {} O 0.0 {0.390883 0.387445 0.369742} O1 658 -1 14 {} Si 0.0 {0.401443 0.369341 0.374572} Si2 659 -1 8 {} O 0.0 {0.391663 0.35678 0.372458} O2 660 -1 14 {} Si 0.0 {0.377844 0.3537 0.364348} Si3 661 -1 7 {} N 0.0 {0.363595 0.350434 0.376223} N1 662 -1 14 {} Si 0.0 {0.364247 0.339731 0.388323} Si4 663 -1 14 {} Si 0.0 {0.361318 0.369433 0.375332} Si5 664 -1 7 {} N 0.0 {0.369219 0.347541 0.404434} N2 665 -1 7 {} N 0.0 {0.375742 0.325738 0.382469} N3 666 -1 7 {} N 0.0 {0.346939 0.331935 0.391976} N4 667 -1 7 {} N 0.0 {0.361103 0.374716 0.390431} N5 668 -1 7 {} N 0.0 {0.596014 0.381458 0.681232} N6 669 -1 7 {} N 0.0 {0.37805 0.30348 0.47876} N7 670 -1 8 {} O 0.0 {0.702433 0.340694 0.461418} O3 671 -1 6 {} C 0.0 {0.709793 0.314748 0.474857} C1 672 -1 8 {} O 0.0 {0.685161 0.324201 0.461258} O4 673 -1 7 {} N 0.0 {0.375378 0.341014 0.348948} N8 674 -1 8 {} O 0.0 {0.369599 0.372933 0.362252} O5 675 -1 1 {} H 0.0 {0.405581 0.369062 0.389943} H1 676 -1 1 {} H 0.0 {0.412589 0.368999 0.366584} H2 677 -1 1 {} H 0.0 {0.360499 0.350923 0.408919} H3 678 -1 1 {} H 0.0 {0.374122 0.356246 0.401} H4 679 -1 1 {} H 0.0 {0.382731 0.326298 0.389793} H5 680 -1 1 {} H 0.0 {0.380533 0.330178 0.374488} H6 681 -1 1 {} H 0.0 {0.348343 0.329553 0.402219} H7 682 -1 1 {} H 0.0 {0.348102 0.323621 0.386713} H8 683 -1 1 {} H 0.0 {0.358583 0.368212 0.398303} H9 684 -1 1 {} H 0.0 {0.441325 0.409314 0.688216} H10 685 -1 1 {} H 0.0 {0.601967 0.389504 0.681113} H11 686 -1 1 {} H 0.0 {0.598996 0.374473 0.674655} H12 687 -1 1 {} H 0.0 {0.375166 0.313201 0.477388} H13 688 -1 1 {} H 0.0 {0.385167 0.30288 0.485815} H14 689 -1 1 {} H 0.0 {0.703191 0.347396 0.46859} H15 690 -1 1 {} H 0.0 {0.719575 0.319109 0.474856} H16 691 -1 1 {} H 0.0 {0.706673 0.309473 0.483988} H17 692 -1 1 {} H 0.0 {0.689019 0.361267 0.488318} H18 693 -1 1 {} H 0.0 {0.687521 0.316861 0.454415} H19 694 -1 1 {} H 0.0 {0.371082 0.347157 0.341455} H20 695 -1 1 {} H 0.0 {0.384978 0.339166 0.346093} H21 696 -1 1 {} H 0.0 {0.381149 0.382973 0.366725} H22 697 -1 14 {} Si 0.0 {0.561797 0.305471 0.412468} Si1 698 -1 8 {} O 0.0 {0.557634 0.317079 0.422837} O1 699 -1 14 {} Si 0.0 {0.591383 0.709227 0.385843} Si2 700 -1 8 {} O 0.0 {0.600354 0.703325 0.37437} O2 701 -1 14 {} Si 0.0 {0.577657 0.689297 0.388293} Si3 702 -1 7 {} N 0.0 {0.580864 0.679154 0.376327} N1 703 -1 14 {} Si 0.0 {0.575335 0.677636 0.357556} Si4 704 -1 14 {} Si 0.0 {0.586141 0.66187 0.371493} Si5 705 -1 7 {} N 0.0 {0.556237 0.678711 0.355848} N2 706 -1 7 {} N 0.0 {0.545013 0.292743 0.415526} N3 707 -1 7 {} N 0.0 {0.584317 0.687825 0.348955} N4 708 -1 7 {} N 0.0 {0.604322 0.658665 0.369862} N5 709 -1 7 {} N 0.0 {0.579874 0.648472 0.382425} N6 710 -1 7 {} N 0.0 {0.579029 0.657561 0.353193} N7 711 -1 8 {} O 0.0 {0.49489 0.357998 0.39925} O3 712 -1 6 {} C 0.0 {0.578562 0.29725 0.412227} C1 713 -1 8 {} O 0.0 {0.559202 0.295364 0.441805} O4 714 -1 7 {} N 0.0 {0.558848 0.694641 0.387104} N8 715 -1 8 {} O 0.0 {0.582622 0.690655 0.402815} O5 716 -1 1 {} H 0.0 {0.594279 0.696883 0.370108} H1 717 -1 1 {} H 0.0 {0.599282 0.707983 0.40052} H2 718 -1 1 {} H 0.0 {0.554389 0.681923 0.346059} H3 719 -1 1 {} H 0.0 {0.553879 0.668992 0.35591} H4 720 -1 1 {} H 0.0 {0.538701 0.299918 0.412116} H5 721 -1 1 {} H 0.0 {0.54958 0.283651 0.418409} H6 722 -1 1 {} H 0.0 {0.59432 0.686134 0.351131} H7 723 -1 1 {} H 0.0 {0.487056 0.363025 0.40076} H8 724 -1 1 {} H 0.0 {0.604494 0.649149 0.373715} H9 725 -1 1 {} H 0.0 {0.604751 0.657307 0.359657} H10 726 -1 1 {} H 0.0 {0.577467 0.641126 0.375927} H11 727 -1 1 {} H 0.0 {0.588472 0.645519 0.38689} H12 728 -1 1 {} H 0.0 {0.57248 0.650235 0.353666} H13 729 -1 1 {} H 0.0 {0.588132 0.655559 0.348469} H14 730 -1 1 {} H 0.0 {0.456738 0.301641 0.528502} H15 731 -1 1 {} H 0.0 {0.579235 0.289167 0.419014} H16 732 -1 1 {} H 0.0 {0.584484 0.305285 0.414421} H17 733 -1 1 {} H 0.0 {0.580946 0.294307 0.402241} H18 734 -1 1 {} H 0.0 {0.567273 0.296821 0.436916} H19 735 -1 1 {} H 0.0 {0.556192 0.687744 0.380326} H20 736 -1 1 {} H 0.0 {0.555139 0.69165 0.395955} H21 737 -1 1 {} H 0.0 {0.577837 0.682831 0.407606} H22 738 -1 14 {} Si 0.0 {0.378335 0.409727 0.401133} Si1 739 -1 8 {} O 0.0 {0.365829 0.415214 0.408302} O1 740 -1 14 {} Si 0.0 {0.409232 0.402848 0.446333} Si2 741 -1 8 {} O 0.0 {0.429397 0.330772 0.369266} O2 742 -1 14 {} Si 0.0 {0.436662 0.34357 0.374169} Si3 743 -1 7 {} N 0.0 {0.444009 0.379726 0.42109} N1 744 -1 14 {} Si 0.0 {0.458543 0.38359 0.416779} Si4 745 -1 14 {} Si 0.0 {0.493445 0.357562 0.439291} Si5 746 -1 7 {} N 0.0 {0.466473 0.369119 0.406033} N2 747 -1 7 {} N 0.0 {0.467588 0.387083 0.433023} N3 748 -1 7 {} N 0.0 {0.456231 0.399282 0.405848} N4 749 -1 7 {} N 0.0 {0.554406 0.283252 0.501747} N5 750 -1 7 {} N 0.0 {0.489182 0.363141 0.453265} N6 751 -1 7 {} N 0.0 {0.449399 0.405081 0.69268} N7 752 -1 8 {} O 0.0 {0.389233 0.414325 0.412502} O3 753 -1 6 {} C 0.0 {0.38245 0.413386 0.382675} C1 754 -1 8 {} O 0.0 {0.375738 0.394968 0.407632} O4 755 -1 7 {} N 0.0 {0.432205 0.382277 0.386343} N8 756 -1 8 {} O 0.0 {0.424067 0.35262 0.375497} O5 757 -1 1 {} H 0.0 {0.359264 0.384951 0.429731} H1 758 -1 1 {} H 0.0 {0.361897 0.310381 0.459948} H2 759 -1 1 {} H 0.0 {0.465208 0.373281 0.396884} H3 760 -1 1 {} H 0.0 {0.459178 0.361513 0.406539} H4 761 -1 1 {} H 0.0 {0.473052 0.378525 0.434886} H5 762 -1 1 {} H 0.0 {0.474784 0.393511 0.43003} H6 763 -1 1 {} H 0.0 {0.463408 0.405858 0.407311} H7 764 -1 1 {} H 0.0 {0.458102 0.395322 0.396665} H8 765 -1 1 {} H 0.0 {0.556092 0.287462 0.510486} H9 766 -1 1 {} H 0.0 {0.475022 0.388155 0.470077} H10 767 -1 1 {} H 0.0 {0.494925 0.370033 0.45808} H11 768 -1 1 {} H 0.0 {0.584376 0.2872 0.550415} H12 769 -1 1 {} H 0.0 {0.454177 0.413308 0.697571} H13 770 -1 1 {} H 0.0 {0.444823 0.397829 0.69912} H14 771 -1 1 {} H 0.0 {0.384457 0.41484 0.421143} H15 772 -1 1 {} H 0.0 {0.392721 0.411902 0.380412} H16 773 -1 1 {} H 0.0 {0.37904 0.423202 0.380492} H17 774 -1 1 {} H 0.0 {0.376789 0.405872 0.377915} H18 775 -1 1 {} H 0.0 {0.370236 0.389607 0.401709} H19 776 -1 1 {} H 0.0 {0.440267 0.385411 0.38092} H20 777 -1 1 {} H 0.0 {0.43598 0.382605 0.39588} H21 778 -1 1 {} H 0.0 {0.431115 0.37205 0.384884} H22 779 -1 14 {} Si 0.0 {0.660307 0.407308 0.42433} Si1 780 -1 8 {} O 0.0 {0.650967 0.394163 0.42533} O1 781 -1 14 {} Si 0.0 {0.64756 0.378907 0.425691} Si2 782 -1 8 {} O 0.0 {0.658834 0.371028 0.418234} O2 783 -1 14 {} Si 0.0 {0.666309 0.358946 0.410303} Si3 784 -1 7 {} N 0.0 {0.680021 0.354441 0.419483} N1 785 -1 14 {} Si 0.0 {0.673854 0.349258 0.433134} Si4 786 -1 14 {} Si 0.0 {0.695731 0.351804 0.422946} Si5 787 -1 7 {} N 0.0 {0.351077 0.37427 0.274306} N2 788 -1 7 {} N 0.0 {0.668727 0.328686 0.434483} N3 789 -1 7 {} N 0.0 {0.677034 0.358817 0.450226} N4 790 -1 7 {} N 0.0 {0.700493 0.335169 0.431914} N5 791 -1 7 {} N 0.0 {0.704819 0.349721 0.403814} N6 792 -1 7 {} N 0.0 {0.704217 0.366925 0.431316} N7 793 -1 8 {} O 0.0 {0.661846 0.409455 0.440068} O3 794 -1 6 {} C 0.0 {0.657452 0.422041 0.413343} C1 795 -1 8 {} O 0.0 {0.676292 0.395486 0.420699} O4 796 -1 7 {} N 0.0 {0.67119 0.355719 0.389981} N8 797 -1 8 {} O 0.0 {0.650805 0.344788 0.408655} O5 798 -1 1 {} H 0.0 {0.60537 0.388433 0.452409} H1 799 -1 1 {} H 0.0 {0.647142 0.37376 0.44133} H2 800 -1 1 {} H 0.0 {0.348406 0.367951 0.282354} H3 801 -1 1 {} H 0.0 {0.346709 0.383687 0.274854} H4 802 -1 1 {} H 0.0 {0.674962 0.325489 0.426502} H5 803 -1 1 {} H 0.0 {0.673652 0.327694 0.444084} H6 804 -1 1 {} H 0.0 {0.679092 0.351158 0.45612} H7 805 -1 1 {} H 0.0 {0.686045 0.362924 0.447865} H8 806 -1 1 {} H 0.0 {0.700927 0.336445 0.441732} H9 807 -1 1 {} H 0.0 {0.692057 0.330314 0.429064} H10 808 -1 1 {} H 0.0 {0.699787 0.35825 0.399884} H11 809 -1 1 {} H 0.0 {0.705401 0.341864 0.396794} H12 810 -1 1 {} H 0.0 {0.697142 0.373824 0.428402} H13 811 -1 1 {} H 0.0 {0.711716 0.368185 0.423968} H14 812 -1 1 {} H 0.0 {0.671022 0.406225 0.442391} H15 813 -1 1 {} H 0.0 {0.648705 0.427308 0.417482} H16 814 -1 1 {} H 0.0 {0.654382 0.418214 0.404205} H17 815 -1 1 {} H 0.0 {0.666654 0.428024 0.413975} H18 816 -1 1 {} H 0.0 {0.672697 0.386603 0.420214} H19 817 -1 1 {} H 0.0 {0.680521 0.350951 0.391511} H20 818 -1 1 {} H 0.0 {0.673709 0.364663 0.386046} H21 819 -1 1 {} H 0.0 {0.64292 0.349101 0.404898} H22 820 -1 14 {} Si 0.0 {0.63421 0.416105 0.466358} Si1 821 -1 8 {} O 0.0 {0.642117 0.426648 0.474446} O1 822 -1 14 {} Si 0.0 {0.644576 0.439293 0.48292} Si2 823 -1 8 {} O 0.0 {0.624335 0.424448 0.45797} O2 824 -1 14 {} Si 0.0 {0.609903 0.428963 0.459372} Si3 825 -1 7 {} N 0.0 {0.552069 0.497266 0.482568} N1 826 -1 14 {} Si 0.0 {0.563711 0.491236 0.491288} Si4 827 -1 14 {} Si 0.0 {0.545845 0.511089 0.477628} Si5 828 -1 7 {} N 0.0 {0.567364 0.473724 0.484015} N2 829 -1 7 {} N 0.0 {0.562234 0.490273 0.509239} N3 830 -1 7 {} N 0.0 {0.578704 0.50554 0.49143} N4 831 -1 7 {} N 0.0 {0.529294 0.50524 0.466088} N5 832 -1 7 {} N 0.0 {0.527615 0.511732 0.451233} N6 833 -1 7 {} N 0.0 {0.557318 0.519857 0.464574} N7 834 -1 8 {} O 0.0 {0.718466 0.487425 0.423327} O3 835 -1 6 {} C 0.0 {0.631837 0.392696 0.470882} C1 836 -1 8 {} O 0.0 {0.60135 0.416413 0.462821} O4 837 -1 7 {} N 0.0 {0.591999 0.385771 0.420025} N8 838 -1 8 {} O 0.0 {0.623961 0.406746 0.478439} O5 839 -1 1 {} H 0.0 {0.631458 0.451017 0.485336} H1 840 -1 1 {} H 0.0 {0.667024 0.400634 0.524074} H2 841 -1 1 {} H 0.0 {0.565368 0.467253 0.491356} H3 842 -1 1 {} H 0.0 {0.558604 0.473171 0.478698} H4 843 -1 1 {} H 0.0 {0.556959 0.49725 0.515029} H5 844 -1 1 {} H 0.0 {0.571076 0.491057 0.514102} H6 845 -1 1 {} H 0.0 {0.579285 0.508449 0.481686} H7 846 -1 1 {} H 0.0 {0.496902 0.417012 0.478477} H8 847 -1 1 {} H 0.0 {0.531818 0.495 0.465999} H9 848 -1 1 {} H 0.0 {0.521264 0.506028 0.472512} H10 849 -1 1 {} H 0.0 {0.518283 0.511054 0.448004} H11 850 -1 1 {} H 0.0 {0.529987 0.521623 0.449586} H12 851 -1 1 {} H 0.0 {0.549696 0.523607 0.459562} H13 852 -1 1 {} H 0.0 {0.560034 0.512674 0.458095} H14 853 -1 1 {} H 0.0 {0.713452 0.495377 0.42112} H15 854 -1 1 {} H 0.0 {0.623986 0.388062 0.465891} H16 855 -1 1 {} H 0.0 {0.635966 0.387934 0.478855} H17 856 -1 1 {} H 0.0 {0.639101 0.392039 0.46379} H18 857 -1 1 {} H 0.0 {0.606336 0.410385 0.469109} H19 858 -1 1 {} H 0.0 {0.588194 0.393877 0.425212} H20 859 -1 1 {} H 0.0 {0.58575 0.384665 0.412168} H21 860 -1 1 {} H 0.0 {0.629396 0.407239 0.48647} H22 861 -1 14 {} Si 0.0 {0.636456 0.602933 0.6781} Si1 862 -1 8 {} O 0.0 {0.640245 0.598402 0.663109} O1 863 -1 14 {} Si 0.0 {0.639088 0.602467 0.647313} Si2 864 -1 8 {} O 0.0 {0.645514 0.617249 0.644823} O2 865 -1 14 {} Si 0.0 {0.649096 0.629654 0.635709} Si3 866 -1 7 {} N 0.0 {0.66777 0.629925 0.62855} N1 867 -1 14 {} Si 0.0 {0.685856 0.635138 0.622547} Si4 868 -1 14 {} Si 0.0 {0.669048 0.615734 0.622188} Si5 869 -1 7 {} N 0.0 {0.69688 0.63596 0.634009} N2 870 -1 7 {} N 0.0 {0.239394 0.341013 0.447977} N3 871 -1 7 {} N 0.0 {0.616754 0.276601 0.581529} N4 872 -1 7 {} N 0.0 {0.662339 0.612655 0.605872} N5 873 -1 7 {} N 0.0 {0.586831 0.300577 0.587596} N6 874 -1 7 {} N 0.0 {0.597888 0.365075 0.570858} N7 875 -1 8 {} O 0.0 {0.651231 0.600744 0.682954} O3 876 -1 6 {} C 0.0 {0.621477 0.595102 0.686191} C1 877 -1 8 {} O 0.0 {0.639252 0.622409 0.674914} O4 878 -1 7 {} N 0.0 {0.547518 0.51877 0.680954} N8 879 -1 8 {} O 0.0 {0.63983 0.626789 0.623545} O5 880 -1 1 {} H 0.0 {0.622978 0.600674 0.63946} H1 881 -1 1 {} H 0.0 {0.648422 0.593561 0.641028} H2 882 -1 1 {} H 0.0 {0.695331 0.637714 0.644033} H3 883 -1 1 {} H 0.0 {0.613754 0.414751 0.66653} H4 884 -1 1 {} H 0.0 {0.24949 0.337562 0.448051} H5 885 -1 1 {} H 0.0 {0.233101 0.333212 0.447676} H6 886 -1 1 {} H 0.0 {0.292987 0.306782 0.54109} H7 887 -1 1 {} H 0.0 {0.323825 0.329779 0.525266} H8 888 -1 1 {} H 0.0 {0.656922 0.603876 0.605074} H9 889 -1 1 {} H 0.0 {0.656254 0.619336 0.600705} H10 890 -1 1 {} H 0.0 {0.584434 0.297222 0.577956} H11 891 -1 1 {} H 0.0 {0.592877 0.293612 0.591666} H12 892 -1 1 {} H 0.0 {0.601183 0.371809 0.577892} H13 893 -1 1 {} H 0.0 {0.384913 0.466393 0.295223} H14 894 -1 1 {} H 0.0 {0.656496 0.609068 0.682141} H15 895 -1 1 {} H 0.0 {0.613025 0.601661 0.685614} H16 896 -1 1 {} H 0.0 {0.623298 0.591748 0.696023} H17 897 -1 1 {} H 0.0 {0.620031 0.586574 0.68019} H18 898 -1 1 {} H 0.0 {0.645564 0.622298 0.66763} H19 899 -1 1 {} H 0.0 {0.548755 0.527246 0.675206} H20 900 -1 1 {} H 0.0 {0.549179 0.510117 0.676174} H21 901 -1 1 {} H 0.0 {0.645792 0.622992 0.616454} H22 902 -1 14 {} Si 0.0 {0.279345 0.328136 0.500028} Si1 903 -1 8 {} O 0.0 {0.291796 0.320944 0.493856} O1 904 -1 14 {} Si 0.0 {0.298996 0.306849 0.490813} Si2 905 -1 8 {} O 0.0 {0.29079 0.302403 0.478699} O2 906 -1 14 {} Si 0.0 {0.689215 0.305371 0.555146} Si3 907 -1 7 {} N 0.0 {0.648102 0.674506 0.598774} N1 908 -1 14 {} Si 0.0 {0.65038 0.688424 0.60712} Si4 909 -1 14 {} Si 0.0 {0.647269 0.664674 0.612353} Si5 910 -1 7 {} N 0.0 {0.671359 0.377219 0.593088} N2 911 -1 7 {} N 0.0 {0.665883 0.695251 0.605464} N3 912 -1 7 {} N 0.0 {0.635559 0.699508 0.608226} N4 913 -1 7 {} N 0.0 {0.429207 0.325076 0.518341} N5 914 -1 7 {} N 0.0 {0.312497 0.648541 0.390459} N6 915 -1 7 {} N 0.0 {0.63085 0.660092 0.614732} N7 916 -1 8 {} O 0.0 {0.27879 0.30593 0.539596} O3 917 -1 6 {} C 0.0 {0.268829 0.323652 0.513236} C1 918 -1 8 {} O 0.0 {0.656934 0.364927 0.595969} O4 919 -1 7 {} N 0.0 {0.702017 0.312825 0.567058} N8 920 -1 8 {} O 0.0 {0.681174 0.594421 0.589696} O5 921 -1 1 {} H 0.0 {0.334424 0.690916 0.499451} H1 922 -1 1 {} H 0.0 {0.31621 0.290282 0.494767} H2 923 -1 1 {} H 0.0 {0.669802 0.38304 0.584648} H3 924 -1 1 {} H 0.0 {0.679201 0.371772 0.590003} H4 925 -1 1 {} H 0.0 {0.664619 0.70162 0.597662} H5 926 -1 1 {} H 0.0 {0.672619 0.688706 0.601708} H6 927 -1 1 {} H 0.0 {0.639849 0.707809 0.612763} H7 928 -1 1 {} H 0.0 {0.630799 0.694924 0.616779} H8 929 -1 1 {} H 0.0 {0.435826 0.332939 0.515888} H9 930 -1 1 {} H 0.0 {0.436213 0.317628 0.521361} H10 931 -1 1 {} H 0.0 {0.311574 0.659156 0.388252} H11 932 -1 1 {} H 0.0 {0.303904 0.645742 0.395309} H12 933 -1 1 {} H 0.0 {0.6253 0.664254 0.606923} H13 934 -1 1 {} H 0.0 {0.628025 0.665185 0.623119} H14 935 -1 1 {} H 0.0 {0.271299 0.313607 0.516175} H15 936 -1 1 {} H 0.0 {0.271896 0.344798 0.51728} H16 937 -1 1 {} H 0.0 {0.353211 0.668728 0.516901} H17 938 -1 1 {} H 0.0 {0.259176 0.324576 0.509311} H18 939 -1 1 {} H 0.0 {0.650669 0.36906 0.602877} H19 940 -1 1 {} H 0.0 {0.698154 0.317699 0.575167} H20 941 -1 1 {} H 0.0 {0.705556 0.320579 0.56135} H21 942 -1 1 {} H 0.0 {0.638769 0.674089 0.593985} H22 943 -1 14 {} Si 0.0 {0.559518 0.593044 0.430969} Si1 944 -1 8 {} O 0.0 {0.558447 0.577554 0.434848} O1 945 -1 14 {} Si 0.0 {0.559796 0.56274 0.431657} Si2 946 -1 8 {} O 0.0 {0.567001 0.560254 0.417222} O2 947 -1 14 {} Si 0.0 {0.575737 0.562592 0.404978} Si3 948 -1 7 {} N 0.0 {0.573027 0.548891 0.390335} N1 949 -1 14 {} Si 0.0 {0.582237 0.547988 0.376937} Si4 950 -1 14 {} Si 0.0 {0.562659 0.537282 0.394991} Si5 951 -1 7 {} N 0.0 {0.595838 0.532168 0.374601} N2 952 -1 7 {} N 0.0 {0.593357 0.563314 0.376731} N3 953 -1 7 {} N 0.0 {0.571328 0.549485 0.361288} N4 954 -1 7 {} N 0.0 {0.547223 0.544983 0.403604} N5 955 -1 7 {} N 0.0 {0.55326 0.529362 0.37943} N6 956 -1 7 {} N 0.0 {0.572012 0.524582 0.406309} N7 957 -1 8 {} O 0.0 {0.538447 0.594285 0.431639} O3 958 -1 6 {} C 0.0 {0.570249 0.598309 0.417153} C1 959 -1 8 {} O 0.0 {0.560126 0.598408 0.446366} O4 960 -1 7 {} N 0.0 {0.594491 0.563773 0.406804} N8 961 -1 8 {} O 0.0 {0.568045 0.574439 0.398544} O5 962 -1 1 {} H 0.0 {0.546266 0.556056 0.432617} H1 963 -1 1 {} H 0.0 {0.568248 0.558096 0.442349} H2 964 -1 1 {} H 0.0 {0.604231 0.537704 0.37188} H3 965 -1 1 {} H 0.0 {0.59217 0.530037 0.365366} H4 966 -1 1 {} H 0.0 {0.591557 0.567951 0.36803} H5 967 -1 1 {} H 0.0 {0.742961 0.503351 0.416467} H6 968 -1 1 {} H 0.0 {0.562527 0.552765 0.364661} H7 969 -1 1 {} H 0.0 {0.575344 0.557328 0.356372} H8 970 -1 1 {} H 0.0 {0.550987 0.55392 0.407754} H9 971 -1 1 {} H 0.0 {0.54082 0.547908 0.396508} H10 972 -1 1 {} H 0.0 {0.545977 0.536425 0.378142} H11 973 -1 1 {} H 0.0 {0.547775 0.521857 0.384239} H12 974 -1 1 {} H 0.0 {0.566127 0.525512 0.414554} H13 975 -1 1 {} H 0.0 {0.580064 0.530727 0.408955} H14 976 -1 1 {} H 0.0 {0.536041 0.587891 0.439637} H15 977 -1 1 {} H 0.0 {0.571345 0.589892 0.409636} H16 978 -1 1 {} H 0.0 {0.579318 0.602126 0.42105} H17 979 -1 1 {} H 0.0 {0.565808 0.606658 0.412703} H18 980 -1 1 {} H 0.0 {0.555274 0.592315 0.451874} H19 981 -1 1 {} H 0.0 {0.597623 0.560458 0.39788} H20 982 -1 1 {} H 0.0 {0.596199 0.5737 0.405235} H21 983 -1 1 {} H 0.0 {0.565008 0.571655 0.389554} H22 984 -1 14 {} Si 0.0 {0.623318 0.694232 0.40053} Si1 985 -1 8 {} O 0.0 {0.633853 0.697463 0.411314} O1 986 -1 14 {} Si 0.0 {0.638499 0.702572 0.425376} Si2 987 -1 8 {} O 0.0 {0.632288 0.691967 0.434215} O2 988 -1 14 {} Si 0.0 {0.642708 0.679894 0.433814} Si3 989 -1 7 {} N 0.0 {0.658361 0.670852 0.426261} N1 990 -1 14 {} Si 0.0 {0.663656 0.655856 0.423918} Si4 991 -1 14 {} Si 0.0 {0.695875 0.667401 0.463596} Si5 992 -1 7 {} N 0.0 {0.653769 0.643095 0.41359} N2 993 -1 7 {} N 0.0 {0.666377 0.647765 0.439494} N3 994 -1 7 {} N 0.0 {0.68077 0.658252 0.415484} N4 995 -1 7 {} N 0.0 {0.676502 0.672545 0.461978} N5 996 -1 7 {} N 0.0 {0.699307 0.659815 0.447751} N6 997 -1 7 {} N 0.0 {0.705151 0.68086 0.468321} N7 998 -1 8 {} O 0.0 {0.620362 0.679157 0.406247} O3 999 -1 6 {} C 0.0 {0.626229 0.695685 0.3823} C1 1000 -1 8 {} O 0.0 {0.60939 0.705497 0.409853} O4 1001 -1 7 {} N 0.0 {0.645004 0.677839 0.454008} N8 1002 -1 8 {} O 0.0 {0.620796 0.680406 0.353271} O5 1003 -1 1 {} H 0.0 {0.703911 0.713761 0.424541} H1 1004 -1 1 {} H 0.0 {0.700333 0.701454 0.437778} H2 1005 -1 1 {} H 0.0 {0.652509 0.634801 0.419866} H3 1006 -1 1 {} H 0.0 {0.6608 0.639983 0.406544} H4 1007 -1 1 {} H 0.0 {0.658533 0.651818 0.444453} H5 1008 -1 1 {} H 0.0 {0.675096 0.651094 0.442536} H6 1009 -1 1 {} H 0.0 {0.680628 0.649773 0.409742} H7 1010 -1 1 {} H 0.0 {0.687633 0.656988 0.422815} H8 1011 -1 1 {} H 0.0 {0.67396 0.670514 0.452047} H9 1012 -1 1 {} H 0.0 {0.678798 0.682706 0.461667} H10 1013 -1 1 {} H 0.0 {0.695136 0.666475 0.44122} H11 1014 -1 1 {} H 0.0 {0.693063 0.65184 0.446656} H12 1015 -1 1 {} H 0.0 {0.697791 0.685859 0.473663} H13 1016 -1 1 {} H 0.0 {0.586561 0.384815 0.678662} H14 1017 -1 1 {} H 0.0 {0.612121 0.679169 0.412396} H15 1018 -1 1 {} H 0.0 {0.622022 0.685629 0.379817} H16 1019 -1 1 {} H 0.0 {0.636665 0.696033 0.379711} H17 1020 -1 1 {} H 0.0 {0.621031 0.703359 0.377218} H18 1021 -1 1 {} H 0.0 {0.605934 0.698719 0.416006} H19 1022 -1 1 {} H 0.0 {0.642312 0.687125 0.458732} H20 1023 -1 1 {} H 0.0 {0.637093 0.671059 0.455659} H21 1024 -1 1 {} H 0.0 {0.622176 0.67314 0.347021} H22 1025 -1 14 {} Si 0.0 {0.598601 0.324842 0.65187} Si1 1026 -1 8 {} O 0.0 {0.598403 0.306928 0.64219} O1 1027 -1 14 {} Si 0.0 {0.56451 0.420887 0.655784} Si2 1028 -1 8 {} O 0.0 {0.697986 0.374656 0.390682} O2 1029 -1 14 {} Si 0.0 {0.704334 0.418447 0.384078} Si3 1030 -1 7 {} N 0.0 {0.460151 0.284007 0.36656} N1 1031 -1 14 {} Si 0.0 {0.388371 0.436078 0.253613} Si4 1032 -1 14 {} Si 0.0 {0.416257 0.439465 0.251952} Si5 1033 -1 7 {} N 0.0 {0.385558 0.446174 0.236946} N2 1034 -1 7 {} N 0.0 {0.93093 0.653068 0.793265} N3 1035 -1 7 {} N 0.0 {0.379368 0.442979 0.268543} N4 1036 -1 7 {} N 0.0 {0.422437 0.455739 0.257286} N5 1037 -1 7 {} N 0.0 {0.0493141 0.355127 0.811986} N6 1038 -1 7 {} N 0.0 {0.421594 0.43496 0.236353} N7 1039 -1 8 {} O 0.0 {0.605372 0.335537 0.64174} O3 1040 -1 6 {} C 0.0 {0.588591 0.301459 0.627815} C1 1041 -1 8 {} O 0.0 {0.58413 0.325634 0.643836} O4 1042 -1 7 {} N 0.0 {0.721705 0.423858 0.389751} N8 1043 -1 8 {} O 0.0 {0.693039 0.42425 0.393341} O5 1044 -1 1 {} H 0.0 {0.563754 0.409642 0.644841} H1 1045 -1 1 {} H 0.0 {0.571794 0.430231 0.649763} H2 1046 -1 1 {} H 0.0 {0.383368 0.45513 0.240435} H3 1047 -1 1 {} H 0.0 {0.395348 0.447297 0.233956} H4 1048 -1 1 {} H 0.0 {0.927188 0.643774 0.795101} H5 1049 -1 1 {} H 0.0 {0.934505 0.652725 0.78347} H6 1050 -1 1 {} H 0.0 {0.370445 0.437975 0.267926} H7 1051 -1 1 {} H 0.0 {0.384016 0.437084 0.275528} H8 1052 -1 1 {} H 0.0 {0.427184 0.45864 0.248926} H9 1053 -1 1 {} H 0.0 {0.430145 0.453137 0.263668} H10 1054 -1 1 {} H 0.0 {0.057161 0.348197 0.812684} H11 1055 -1 1 {} H 0.0 {0.0430175 0.350784 0.819001} H12 1056 -1 1 {} H 0.0 {0.431301 0.434273 0.236635} H13 1057 -1 1 {} H 0.0 {0.419885 0.443087 0.230507} H14 1058 -1 1 {} H 0.0 {0.610375 0.273543 0.574473} H15 1059 -1 1 {} H 0.0 {0.584326 0.292567 0.625079} H16 1060 -1 1 {} H 0.0 {0.357603 0.332273 0.41997} H17 1061 -1 1 {} H 0.0 {0.590245 0.306417 0.61879} H18 1062 -1 1 {} H 0.0 {0.571877 0.370369 0.702533} H19 1063 -1 1 {} H 0.0 {0.720015 0.429535 0.39796} H20 1064 -1 1 {} H 0.0 {0.725954 0.415614 0.392837} H21 1065 -1 1 {} H 0.0 {0.688262 0.416448 0.397969} H22 1066 -1 14 {} Si 0.0 {0.389825 0.667548 0.621831} Si1 1067 -1 8 {} O 0.0 {0.399083 0.680523 0.623727} O1 1068 -1 14 {} Si 0.0 {0.40326 0.694941 0.622322} Si2 1069 -1 8 {} O 0.0 {0.417889 0.694252 0.626558} O2 1070 -1 14 {} Si 0.0 {0.428642 0.68277 0.629311} Si3 1071 -1 7 {} N 0.0 {0.429922 0.667933 0.636976} N1 1072 -1 14 {} Si 0.0 {0.423691 0.662942 0.651518} Si4 1073 -1 14 {} Si 0.0 {0.447505 0.658045 0.617917} Si5 1074 -1 7 {} N 0.0 {0.412663 0.676713 0.657331} N2 1075 -1 7 {} N 0.0 {0.436569 0.662524 0.663753} N3 1076 -1 7 {} N 0.0 {0.415797 0.647157 0.649005} N4 1077 -1 7 {} N 0.0 {0.434366 0.656065 0.628009} N5 1078 -1 7 {} N 0.0 {0.445935 0.645423 0.604836} N6 1079 -1 7 {} N 0.0 {0.461849 0.659242 0.626408} N7 1080 -1 8 {} O 0.0 {0.401965 0.656379 0.623129} O3 1081 -1 6 {} C 0.0 {0.3768 0.667922 0.609981} C1 1082 -1 8 {} O 0.0 {0.385902 0.66611 0.643902} O4 1083 -1 7 {} N 0.0 {0.44133 0.697922 0.655989} N8 1084 -1 8 {} O 0.0 {0.437065 0.684145 0.609954} O5 1085 -1 1 {} H 0.0 {0.382444 0.706226 0.640406} H1 1086 -1 1 {} H 0.0 {0.403244 0.697373 0.607743} H2 1087 -1 1 {} H 0.0 {0.584709 0.680752 0.289407} H3 1088 -1 1 {} H 0.0 {0.416922 0.678412 0.666387} H4 1089 -1 1 {} H 0.0 {0.440322 0.653151 0.662657} H5 1090 -1 1 {} H 0.0 {0.443631 0.669047 0.65983} H6 1091 -1 1 {} H 0.0 {0.412756 0.645883 0.639516} H7 1092 -1 1 {} H 0.0 {0.42238 0.639217 0.650445} H8 1093 -1 1 {} H 0.0 {0.490629 0.377755 0.2738} H9 1094 -1 1 {} H 0.0 {0.436196 0.647365 0.63357} H10 1095 -1 1 {} H 0.0 {0.443251 0.650137 0.596298} H11 1096 -1 1 {} H 0.0 {0.455933 0.645121 0.603043} H12 1097 -1 1 {} H 0.0 {0.458729 0.663132 0.635434} H13 1098 -1 1 {} H 0.0 {0.365818 0.711706 0.604321} H14 1099 -1 1 {} H 0.0 {0.410298 0.661132 0.624275} H15 1100 -1 1 {} H 0.0 {0.368282 0.672315 0.615461} H16 1101 -1 1 {} H 0.0 {0.280829 0.681343 0.529366} H17 1102 -1 1 {} H 0.0 {0.374518 0.657427 0.607742} H18 1103 -1 1 {} H 0.0 {0.390871 0.657878 0.644747} H19 1104 -1 1 {} H 0.0 {0.440818 0.687733 0.656542} H20 1105 -1 1 {} H 0.0 {0.450748 0.699873 0.659588} H21 1106 -1 1 {} H 0.0 {0.441114 0.673195 0.612748} H22 1107 -1 14 {} Si 0.0 {0.59203 0.375828 0.329663} Si1 1108 -1 8 {} O 0.0 {0.589471 0.386227 0.341525} O1 1109 -1 14 {} Si 0.0 {0.583173 0.397407 0.350569} Si2 1110 -1 8 {} O 0.0 {0.572238 0.404268 0.340222} O2 1111 -1 14 {} Si 0.0 {0.566757 0.415054 0.330793} Si3 1112 -1 7 {} N 0.0 {0.547928 0.4138 0.3259} N1 1113 -1 14 {} Si 0.0 {0.54065 0.403051 0.335845} Si4 1114 -1 14 {} Si 0.0 {0.538196 0.4227 0.31658} Si5 1115 -1 7 {} N 0.0 {0.524332 0.39614 0.327953} N2 1116 -1 7 {} N 0.0 {0.534537 0.410649 0.352374} N3 1117 -1 7 {} N 0.0 {0.548979 0.385477 0.337067} N4 1118 -1 7 {} N 0.0 {0.535092 0.415485 0.298934} N5 1119 -1 7 {} N 0.0 {0.521518 0.427885 0.324942} N6 1120 -1 7 {} N 0.0 {0.547834 0.438827 0.313951} N7 1121 -1 8 {} O 0.0 {0.60593 0.383598 0.32632} O3 1122 -1 6 {} C 0.0 {0.578456 0.371208 0.31629} C1 1123 -1 8 {} O 0.0 {0.598241 0.363001 0.338281} O4 1124 -1 7 {} N 0.0 {0.574178 0.418318 0.3136} N8 1125 -1 8 {} O 0.0 {0.566117 0.427619 0.341108} O5 1126 -1 1 {} H 0.0 {0.586828 0.41431 0.367311} H1 1127 -1 1 {} H 0.0 {0.573017 0.389155 0.362089} H2 1128 -1 1 {} H 0.0 {0.517689 0.401144 0.333175} H3 1129 -1 1 {} H 0.0 {0.524696 0.401426 0.318547} H4 1130 -1 1 {} H 0.0 {0.535422 0.420356 0.350387} H5 1131 -1 1 {} H 0.0 {0.541114 0.408396 0.359266} H6 1132 -1 1 {} H 0.0 {0.55858 0.38913 0.338225} H7 1133 -1 1 {} H 0.0 {0.549295 0.384276 0.326498} H8 1134 -1 1 {} H 0.0 {0.524466 0.414598 0.298347} H9 1135 -1 1 {} H 0.0 {0.536504 0.4235 0.292982} H10 1136 -1 1 {} H 0.0 {0.522479 0.435565 0.331132} H11 1137 -1 1 {} H 0.0 {0.518763 0.419733 0.330709} H12 1138 -1 1 {} H 0.0 {0.554916 0.438641 0.320656} H13 1139 -1 1 {} H 0.0 {0.540569 0.444965 0.317442} H14 1140 -1 1 {} H 0.0 {0.613717 0.381629 0.330911} H15 1141 -1 1 {} H 0.0 {0.583429 0.36531 0.309352} H16 1142 -1 1 {} H 0.0 {0.574974 0.380007 0.311774} H17 1143 -1 1 {} H 0.0 {0.571374 0.365336 0.321529} H18 1144 -1 1 {} H 0.0 {0.597918 0.364975 0.348277} H19 1145 -1 1 {} H 0.0 {0.581283 0.425262 0.314671} H20 1146 -1 1 {} H 0.0 {0.566929 0.423171 0.30872} H21 1147 -1 1 {} H 0.0 {0.557115 0.431135 0.342281} H22 1148 -1 14 {} Si 0.0 {0.552572 0.390336 0.548117} Si1 1149 -1 8 {} O 0.0 {0.558528 0.39213 0.533666} O1 1150 -1 14 {} Si 0.0 {0.566679 0.389519 0.520785} Si2 1151 -1 8 {} O 0.0 {0.564527 0.373737 0.519618} O2 1152 -1 14 {} Si 0.0 {0.576217 0.362248 0.522461} Si3 1153 -1 7 {} N 0.0 {0.593061 0.371102 0.51908} N1 1154 -1 14 {} Si 0.0 {0.599028 0.388251 0.526668} Si4 1155 -1 14 {} Si 0.0 {0.600266 0.371343 0.504605} Si5 1156 -1 7 {} N 0.0 {0.595704 0.40647 0.520936} N2 1157 -1 7 {} N 0.0 {0.619093 0.388919 0.526224} N3 1158 -1 7 {} N 0.0 {0.597149 0.386291 0.545566} N4 1159 -1 7 {} N 0.0 {0.588667 0.362355 0.4914} N5 1160 -1 7 {} N 0.0 {0.604063 0.388829 0.498462} N6 1161 -1 7 {} N 0.0 {0.616616 0.361468 0.505978} N7 1162 -1 8 {} O 0.0 {0.566131 0.391235 0.556286} O3 1163 -1 6 {} C 0.0 {0.542101 0.373572 0.553698} C1 1164 -1 8 {} O 0.0 {0.548993 0.406305 0.548819} O4 1165 -1 7 {} N 0.0 {0.576958 0.346693 0.514253} N8 1166 -1 8 {} O 0.0 {0.573893 0.362182 0.537795} O5 1167 -1 1 {} H 0.0 {0.58234 0.389338 0.524235} H1 1168 -1 1 {} H 0.0 {0.560002 0.39592 0.507859} H2 1169 -1 1 {} H 0.0 {0.603854 0.408043 0.514629} H3 1170 -1 1 {} H 0.0 {0.598362 0.41001 0.52977} H4 1171 -1 1 {} H 0.0 {0.621026 0.38994 0.536298} H5 1172 -1 1 {} H 0.0 {0.621089 0.379283 0.52426} H6 1173 -1 1 {} H 0.0 {0.596254 0.394287 0.55094} H7 1174 -1 1 {} H 0.0 {0.604553 0.380138 0.548183} H8 1175 -1 1 {} H 0.0 {0.596097 0.356052 0.48906} H9 1176 -1 1 {} H 0.0 {0.586296 0.368473 0.483923} H10 1177 -1 1 {} H 0.0 {0.610319 0.387505 0.490088} H11 1178 -1 1 {} H 0.0 {0.609028 0.394608 0.504849} H12 1179 -1 1 {} H 0.0 {0.613333 0.354709 0.499389} H13 1180 -1 1 {} H 0.0 {0.614161 0.357195 0.514971} H14 1181 -1 1 {} H 0.0 {0.573342 0.388956 0.549677} H15 1182 -1 1 {} H 0.0 {0.548344 0.365383 0.554196} H16 1183 -1 1 {} H 0.0 {0.533587 0.372715 0.547387} H17 1184 -1 1 {} H 0.0 {0.538176 0.375826 0.562942} H18 1185 -1 1 {} H 0.0 {0.557377 0.411923 0.550002} H19 1186 -1 1 {} H 0.0 {0.575882 0.349876 0.504497} H20 1187 -1 1 {} H 0.0 {0.586028 0.3427 0.515617} H21 1188 -1 1 {} H 0.0 {0.58118 0.368072 0.541405} H22 1189 -1 14 {} Si 0.0 {0.515453 0.323866 0.400246} Si1 1190 -1 8 {} O 0.0 {0.509835 0.325774 0.420781} O1 1191 -1 14 {} Si 0.0 {0.49839 0.326239 0.431236} Si2 1192 -1 8 {} O 0.0 {0.506677 0.31983 0.442831} O2 1193 -1 14 {} Si 0.0 {0.520893 0.315402 0.445978} Si3 1194 -1 7 {} N 0.0 {0.532142 0.306704 0.438556} N1 1195 -1 14 {} Si 0.0 {0.579735 0.721007 0.367807} Si4 1196 -1 14 {} Si 0.0 {0.547341 0.30255 0.434509} Si5 1197 -1 7 {} N 0.0 {0.565535 0.713126 0.362546} N2 1198 -1 7 {} N 0.0 {0.579372 0.725152 0.383602} N3 1199 -1 7 {} N 0.0 {0.591801 0.731309 0.356954} N4 1200 -1 7 {} N 0.0 {0.504033 0.419469 0.443258} N5 1201 -1 7 {} N 0.0 {0.344067 0.486605 0.376709} N6 1202 -1 7 {} N 0.0 {0.496459 0.371392 0.425073} N7 1203 -1 8 {} O 0.0 {0.525518 0.311633 0.402709} O3 1204 -1 6 {} C 0.0 {0.499601 0.328513 0.406814} C1 1205 -1 8 {} O 0.0 {0.472682 0.325694 0.285783} O4 1206 -1 7 {} N 0.0 {0.587547 0.289853 0.383764} N8 1207 -1 8 {} O 0.0 {0.523992 0.324383 0.458593} O5 1208 -1 1 {} H 0.0 {0.497702 0.36096 0.390283} H1 1209 -1 1 {} H 0.0 {0.495261 0.342333 0.435462} H2 1210 -1 1 {} H 0.0 {0.556961 0.712705 0.367767} H3 1211 -1 1 {} H 0.0 {0.59742 0.290906 0.380576} H4 1212 -1 1 {} H 0.0 {0.476366 0.273408 0.612373} H5 1213 -1 1 {} H 0.0 {0.572206 0.720559 0.389539} H6 1214 -1 1 {} H 0.0 {0.596466 0.723487 0.352367} H7 1215 -1 1 {} H 0.0 {0.597978 0.733554 0.364619} H8 1216 -1 1 {} H 0.0 {0.509855 0.41099 0.44375} H9 1217 -1 1 {} H 0.0 {0.495435 0.417659 0.437497} H10 1218 -1 1 {} H 0.0 {0.348089 0.479084 0.37116} H11 1219 -1 1 {} H 0.0 {0.610161 0.330425 0.634913} H12 1220 -1 1 {} H 0.0 {0.489878 0.366745 0.418413} H13 1221 -1 1 {} H 0.0 {0.50584 0.368487 0.421843} H14 1222 -1 1 {} H 0.0 {0.526479 0.311203 0.412277} H15 1223 -1 1 {} H 0.0 {0.543767 0.283597 0.500548} H16 1224 -1 1 {} H 0.0 {0.487187 0.318413 0.40163} H17 1225 -1 1 {} H 0.0 {0.497224 0.338293 0.404807} H18 1226 -1 1 {} H 0.0 {0.469016 0.335291 0.284237} H19 1227 -1 1 {} H 0.0 {0.582062 0.297558 0.379828} H20 1228 -1 1 {} H 0.0 {0.584585 0.281967 0.378764} H21 1229 -1 1 {} H 0.0 {0.517654 0.324576 0.466038} H22 1230 -1 14 {} Si 0.0 {0.688767 0.313596 0.522243} Si1 1231 -1 8 {} O 0.0 {0.700868 0.322124 0.519432} O1 1232 -1 14 {} Si 0.0 {0.705487 0.334693 0.51246} Si2 1233 -1 8 {} O 0.0 {0.699228 0.334721 0.498258} O2 1234 -1 14 {} Si 0.0 {0.686894 0.340063 0.489376} Si3 1235 -1 7 {} N 0.0 {0.671502 0.333729 0.492161} N1 1236 -1 14 {} Si 0.0 {0.65877 0.324454 0.490175} Si4 1237 -1 14 {} Si 0.0 {0.657673 0.671749 0.469777} Si5 1238 -1 7 {} N 0.0 {0.655413 0.311866 0.50595} N2 1239 -1 7 {} N 0.0 {0.478705 0.678944 0.544505} N3 1240 -1 7 {} N 0.0 {0.614819 0.281694 0.544047} N4 1241 -1 7 {} N 0.0 {0.596595 0.630188 0.531151} N5 1242 -1 7 {} N 0.0 {0.696609 0.620733 0.569778} N6 1243 -1 7 {} N 0.0 {0.594195 0.709997 0.470091} N7 1244 -1 8 {} O 0.0 {0.67683 0.324164 0.522189} O3 1245 -1 6 {} C 0.0 {0.691294 0.297546 0.539285} C1 1246 -1 8 {} O 0.0 {0.685133 0.308621 0.507365} O4 1247 -1 7 {} N 0.0 {0.683082 0.536014 0.501654} N8 1248 -1 8 {} O 0.0 {0.693613 0.353483 0.483944} O5 1249 -1 1 {} H 0.0 {0.481745 0.408643 0.282983} H1 1250 -1 1 {} H 0.0 {0.702225 0.347703 0.52064} H2 1251 -1 1 {} H 0.0 {0.664944 0.31124 0.509543} H3 1252 -1 1 {} H 0.0 {0.654714 0.303297 0.500984} H4 1253 -1 1 {} H 0.0 {0.475095 0.678907 0.553762} H5 1254 -1 1 {} H 0.0 {0.489376 0.678679 0.545464} H6 1255 -1 1 {} H 0.0 {0.605778 0.276691 0.546369} H7 1256 -1 1 {} H 0.0 {0.61242 0.288059 0.536537} H8 1257 -1 1 {} H 0.0 {0.605934 0.63397 0.534041} H9 1258 -1 1 {} H 0.0 {0.598533 0.624493 0.522959} H10 1259 -1 1 {} H 0.0 {0.691425 0.61876 0.560763} H11 1260 -1 1 {} H 0.0 {0.693394 0.612198 0.575785} H12 1261 -1 1 {} H 0.0 {0.58631 0.711718 0.464399} H13 1262 -1 1 {} H 0.0 {0.288501 0.591012 0.543489} H14 1263 -1 1 {} H 0.0 {0.6748 0.327524 0.513053} H15 1264 -1 1 {} H 0.0 {0.683889 0.289951 0.535952} H16 1265 -1 1 {} H 0.0 {0.681649 0.293648 0.561684} H17 1266 -1 1 {} H 0.0 {0.700764 0.294421 0.539029} H18 1267 -1 1 {} H 0.0 {0.684602 0.315433 0.500504} H19 1268 -1 1 {} H 0.0 {0.679697 0.526266 0.499781} H20 1269 -1 1 {} H 0.0 {0.652855 0.298493 0.558471} H21 1270 -1 1 {} H 0.0 {0.677098 0.540381 0.508566} H22 1271 -1 14 {} Si 0.0 {0.645773 0.650299 0.353131} Si1 1272 -1 8 {} O 0.0 {0.648137 0.634653 0.352868} O1 1273 -1 14 {} Si 0.0 {0.650849 0.621403 0.359758} Si2 1274 -1 8 {} O 0.0 {0.636628 0.615723 0.356587} O2 1275 -1 14 {} Si 0.0 {0.622402 0.615173 0.361449} Si3 1276 -1 7 {} N 0.0 {0.61831 0.605276 0.378019} N1 1277 -1 14 {} Si 0.0 {0.604032 0.604633 0.38562} Si4 1278 -1 14 {} Si 0.0 {0.629859 0.597022 0.387369} Si5 1279 -1 7 {} N 0.0 {0.591516 0.596297 0.37324} N2 1280 -1 7 {} N 0.0 {0.598148 0.622673 0.387606} N3 1281 -1 7 {} N 0.0 {0.603684 0.596342 0.402905} N4 1282 -1 7 {} N 0.0 {0.643622 0.592561 0.37705} N5 1283 -1 7 {} N 0.0 {0.637377 0.609064 0.401405} N6 1284 -1 7 {} N 0.0 {0.626431 0.578904 0.395077} N7 1285 -1 8 {} O 0.0 {0.657475 0.653442 0.342842} O3 1286 -1 6 {} C 0.0 {0.638848 0.660207 0.367279} C1 1287 -1 8 {} O 0.0 {0.638078 0.659507 0.325015} O4 1288 -1 7 {} N 0.0 {0.611463 0.607711 0.34741} N8 1289 -1 8 {} O 0.0 {0.618813 0.62986 0.366352} O5 1290 -1 1 {} H 0.0 {0.705396 0.686499 0.459198} H1 1291 -1 1 {} H 0.0 {0.662069 0.613492 0.35011} H2 1292 -1 1 {} H 0.0 {0.597442 0.59628 0.364848} H3 1293 -1 1 {} H 0.0 {0.593854 0.58663 0.376191} H4 1294 -1 1 {} H 0.0 {0.606235 0.627015 0.383199} H5 1295 -1 1 {} H 0.0 {0.590974 0.621568 0.380858} H6 1296 -1 1 {} H 0.0 {0.600528 0.605096 0.407156} H7 1297 -1 1 {} H 0.0 {0.613591 0.59616 0.405326} H8 1298 -1 1 {} H 0.0 {0.651429 0.597647 0.381241} H9 1299 -1 1 {} H 0.0 {0.642446 0.596145 0.36715} H10 1300 -1 1 {} H 0.0 {0.646798 0.60464 0.402022} H11 1301 -1 1 {} H 0.0 {0.638311 0.617403 0.396269} H12 1302 -1 1 {} H 0.0 {0.633856 0.573226 0.391434} H13 1303 -1 1 {} H 0.0 {0.61791 0.576182 0.390428} H14 1304 -1 1 {} H 0.0 {0.663446 0.6457 0.341931} H15 1305 -1 1 {} H 0.0 {0.629656 0.664379 0.36402} H16 1306 -1 1 {} H 0.0 {0.64474 0.675828 0.366837} H17 1307 -1 1 {} H 0.0 {0.636549 0.653296 0.374515} H18 1308 -1 1 {} H 0.0 {0.647222 0.660062 0.328785} H19 1309 -1 1 {} H 0.0 {0.617229 0.607945 0.339088} H20 1310 -1 1 {} H 0.0 {0.605118 0.61605 0.346476} H21 1311 -1 1 {} H 0.0 {0.621762 0.630925 0.375425} H22 1312 -1 14 {} Si 0.0 {0.676977 0.562887 0.35624} Si1 1313 -1 8 {} O 0.0 {0.671159 0.550233 0.349513} O1 1314 -1 14 {} Si 0.0 {0.660245 0.541007 0.343218} Si2 1315 -1 8 {} O 0.0 {0.651103 0.550984 0.333618} O2 1316 -1 14 {} Si 0.0 {0.637426 0.560073 0.337217} Si3 1317 -1 7 {} N 0.0 {0.622151 0.557081 0.331526} N1 1318 -1 14 {} Si 0.0 {0.608859 0.569325 0.340256} Si4 1319 -1 14 {} Si 0.0 {0.611246 0.543942 0.329624} Si5 1320 -1 7 {} N 0.0 {0.594429 0.561979 0.342297} N2 1321 -1 7 {} N 0.0 {0.607412 0.584636 0.329402} N3 1322 -1 7 {} N 0.0 {0.614341 0.574339 0.358266} N4 1323 -1 7 {} N 0.0 {0.621227 0.528204 0.331789} N5 1324 -1 7 {} N 0.0 {0.596593 0.546091 0.344049} N6 1325 -1 7 {} N 0.0 {0.604747 0.542313 0.313457} N7 1326 -1 8 {} O 0.0 {0.680417 0.555143 0.370089} O3 1327 -1 6 {} C 0.0 {0.668132 0.579928 0.355273} C1 1328 -1 8 {} O 0.0 {0.695152 0.561481 0.348744} O4 1329 -1 7 {} N 0.0 {0.690154 0.606857 0.368685} N8 1330 -1 8 {} O 0.0 {0.642505 0.574257 0.341447} O5 1331 -1 1 {} H 0.0 {0.650324 0.536882 0.355726} H1 1332 -1 1 {} H 0.0 {0.667688 0.531247 0.330629} H2 1333 -1 1 {} H 0.0 {0.589711 0.564596 0.333093} H3 1334 -1 1 {} H 0.0 {0.537501 0.611265 0.358491} H4 1335 -1 1 {} H 0.0 {0.617417 0.585035 0.328121} H5 1336 -1 1 {} H 0.0 {0.604138 0.581166 0.32044} H6 1337 -1 1 {} H 0.0 {0.623638 0.570619 0.359407} H7 1338 -1 1 {} H 0.0 {0.614388 0.584467 0.359453} H8 1339 -1 1 {} H 0.0 {0.627471 0.530512 0.339426} H9 1340 -1 1 {} H 0.0 {0.627339 0.528059 0.323241} H10 1341 -1 1 {} H 0.0 {0.587456 0.540562 0.344533} H11 1342 -1 1 {} H 0.0 {0.601761 0.54326 0.352544} H12 1343 -1 1 {} H 0.0 {0.606904 0.533281 0.308402} H13 1344 -1 1 {} H 0.0 {0.594341 0.541542 0.314139} H14 1345 -1 1 {} H 0.0 {0.672594 0.552569 0.374227} H15 1346 -1 1 {} H 0.0 {0.660624 0.579122 0.34795} H16 1347 -1 1 {} H 0.0 {0.675156 0.587727 0.352029} H17 1348 -1 1 {} H 0.0 {0.665059 0.581359 0.365384} H18 1349 -1 1 {} H 0.0 {0.694611 0.563974 0.339175} H19 1350 -1 1 {} H 0.0 {0.699493 0.603973 0.364776} H20 1351 -1 1 {} H 0.0 {0.688674 0.599221 0.375538} H21 1352 -1 1 {} H 0.0 {0.642056 0.579852 0.333342} H22 1353 -1 14 {} Si 0.0 {0.322084 0.61263 0.561148} Si1 1354 -1 8 {} O 0.0 {0.325895 0.622905 0.550064} O1 1355 -1 14 {} Si 0.0 {0.334249 0.635036 0.544902} Si2 1356 -1 8 {} O 0.0 {0.339665 0.63054 0.531492} O2 1357 -1 14 {} Si 0.0 {0.337871 0.625226 0.51709} Si3 1358 -1 7 {} N 0.0 {0.338714 0.609047 0.51201} N1 1359 -1 14 {} Si 0.0 {0.332262 0.599783 0.523674} Si4 1360 -1 14 {} Si 0.0 {0.341172 0.598768 0.499125} Si5 1361 -1 7 {} N 0.0 {0.342764 0.590043 0.536896} N2 1362 -1 7 {} N 0.0 {0.314142 0.594651 0.522303} N3 1363 -1 7 {} N 0.0 {0.456904 0.535528 0.52421} N4 1364 -1 7 {} N 0.0 {0.360005 0.600314 0.494039} N5 1365 -1 7 {} N 0.0 {0.337125 0.579901 0.503061} N6 1366 -1 7 {} N 0.0 {0.332152 0.605413 0.483235} N7 1367 -1 8 {} O 0.0 {0.311524 0.622226 0.567936} O3 1368 -1 6 {} C 0.0 {0.336028 0.603649 0.570247} C1 1369 -1 8 {} O 0.0 {0.306478 0.603052 0.552086} O4 1370 -1 7 {} N 0.0 {0.352335 0.634111 0.504755} N8 1371 -1 8 {} O 0.0 {0.318458 0.634582 0.512931} O5 1372 -1 1 {} H 0.0 {0.346525 0.636592 0.555338} H1 1373 -1 1 {} H 0.0 {0.324823 0.648775 0.543257} H2 1374 -1 1 {} H 0.0 {0.34995 0.586286 0.530081} H3 1375 -1 1 {} H 0.0 {0.336889 0.582297 0.538587} H4 1376 -1 1 {} H 0.0 {0.309842 0.602845 0.517588} H5 1377 -1 1 {} H 0.0 {0.314705 0.588249 0.514029} H6 1378 -1 1 {} H 0.0 {0.449784 0.542849 0.521009} H7 1379 -1 1 {} H 0.0 {0.458592 0.528696 0.516456} H8 1380 -1 1 {} H 0.0 {0.35935 0.59597 0.484565} H9 1381 -1 1 {} H 0.0 {0.364416 0.593483 0.499832} H10 1382 -1 1 {} H 0.0 {0.346472 0.577757 0.507314} H11 1383 -1 1 {} H 0.0 {0.33723 0.576511 0.493677} H12 1384 -1 1 {} H 0.0 {0.324986 0.61147 0.487222} H13 1385 -1 1 {} H 0.0 {0.339452 0.610911 0.479009} H14 1386 -1 1 {} H 0.0 {0.302337 0.619622 0.564869} H15 1387 -1 1 {} H 0.0 {0.335904 0.608069 0.579293} H16 1388 -1 1 {} H 0.0 {0.345847 0.60532 0.565469} H17 1389 -1 1 {} H 0.0 {0.333583 0.592853 0.57116} H18 1390 -1 1 {} H 0.0 {0.309171 0.600782 0.542788} H19 1391 -1 1 {} H 0.0 {0.353569 0.626566 0.497195} H20 1392 -1 1 {} H 0.0 {0.345757 0.639907 0.500068} H21 1393 -1 1 {} H 0.0 {0.329049 0.582005 0.469687} H22 1394 -1 14 {} Si 0.0 {0.567803 0.49933 0.371398} Si1 1395 -1 8 {} O 0.0 {0.556194 0.498505 0.381149} O1 1396 -1 14 {} Si 0.0 {0.541579 0.493261 0.382345} Si2 1397 -1 8 {} O 0.0 {0.535159 0.504197 0.372552} O2 1398 -1 14 {} Si 0.0 {0.526759 0.508519 0.359443} Si3 1399 -1 7 {} N 0.0 {0.523603 0.526916 0.357645} N1 1400 -1 14 {} Si 0.0 {0.518903 0.537787 0.368767} Si4 1401 -1 14 {} Si 0.0 {0.527603 0.534606 0.343565} Si5 1402 -1 7 {} N 0.0 {0.52133 0.528743 0.385476} N2 1403 -1 7 {} N 0.0 {0.499842 0.543266 0.366741} N3 1404 -1 7 {} N 0.0 {0.528924 0.554163 0.370596} N4 1405 -1 7 {} N 0.0 {0.5331 0.523468 0.328814} N5 1406 -1 7 {} N 0.0 {0.511421 0.545287 0.338124} N6 1407 -1 7 {} N 0.0 {0.54318 0.546906 0.344449} N7 1408 -1 8 {} O 0.0 {0.580306 0.501734 0.387891} O3 1409 -1 6 {} C 0.0 {0.567913 0.510627 0.355619} C1 1410 -1 8 {} O 0.0 {0.570362 0.483684 0.370368} O4 1411 -1 7 {} N 0.0 {0.509435 0.50059 0.356767} N8 1412 -1 8 {} O 0.0 {0.537999 0.502556 0.350647} O5 1413 -1 1 {} H 0.0 {0.53796 0.495959 0.399132} H1 1414 -1 1 {} H 0.0 {0.540904 0.478973 0.37703} H2 1415 -1 1 {} H 0.0 {0.511077 0.527358 0.387221} H3 1416 -1 1 {} H 0.0 {0.526666 0.520367 0.383413} H4 1417 -1 1 {} H 0.0 {0.49943 0.552685 0.364101} H5 1418 -1 1 {} H 0.0 {0.497399 0.543941 0.376491} H6 1419 -1 1 {} H 0.0 {0.529471 0.556283 0.360822} H7 1420 -1 1 {} H 0.0 {0.521919 0.559182 0.375337} H8 1421 -1 1 {} H 0.0 {0.524751 0.518184 0.326341} H9 1422 -1 1 {} H 0.0 {0.538922 0.516378 0.334521} H10 1423 -1 1 {} H 0.0 {0.511551 0.553374 0.344902} H11 1424 -1 1 {} H 0.0 {0.503471 0.539275 0.340762} H12 1425 -1 1 {} H 0.0 {0.545962 0.544856 0.354093} H13 1426 -1 1 {} H 0.0 {0.550201 0.5427 0.338819} H14 1427 -1 1 {} H 0.0 {0.575134 0.508848 0.392803} H15 1428 -1 1 {} H 0.0 {0.576549 0.507664 0.350353} H16 1429 -1 1 {} H 0.0 {0.568997 0.520965 0.357333} H17 1430 -1 1 {} H 0.0 {0.558699 0.508096 0.350604} H18 1431 -1 1 {} H 0.0 {0.563164 0.480649 0.363912} H19 1432 -1 1 {} H 0.0 {0.510392 0.493858 0.364646} H20 1433 -1 1 {} H 0.0 {0.51012 0.494811 0.348458} H21 1434 -1 1 {} H 0.0 {0.538462 0.492494 0.349893} H22 1435 -1 14 {} Si 0.0 {0.561813 0.363057 0.583396} Si1 1436 -1 8 {} O 0.0 {0.566864 0.351129 0.594187} O1 1437 -1 14 {} Si 0.0 {0.579864 0.343943 0.599477} Si2 1438 -1 8 {} O 0.0 {0.586989 0.340856 0.585912} O2 1439 -1 14 {} Si 0.0 {0.584398 0.330288 0.574706} Si3 1440 -1 7 {} N 0.0 {0.60004 0.331123 0.560651} N1 1441 -1 14 {} Si 0.0 {0.568509 0.647644 0.627817} Si4 1442 -1 14 {} Si 0.0 {0.607036 0.319746 0.575785} Si5 1443 -1 7 {} N 0.0 {0.551943 0.648065 0.6315} N2 1444 -1 7 {} N 0.0 {0.577413 0.644366 0.642102} N3 1445 -1 7 {} N 0.0 {0.569722 0.629445 0.6173} N4 1446 -1 7 {} N 0.0 {0.623741 0.327324 0.581483} N5 1447 -1 7 {} N 0.0 {0.609934 0.303764 0.566404} N6 1448 -1 7 {} N 0.0 {0.692373 0.523305 0.290845} N7 1449 -1 8 {} O 0.0 {0.560299 0.353425 0.571478} O3 1450 -1 6 {} C 0.0 {0.568984 0.38111 0.584703} C1 1451 -1 8 {} O 0.0 {0.5462 0.361931 0.585892} O4 1452 -1 7 {} N 0.0 {0.569503 0.322314 0.56667} N8 1453 -1 8 {} O 0.0 {0.596641 0.317267 0.586695} O5 1454 -1 1 {} H 0.0 {0.574593 0.329404 0.604045} H1 1455 -1 1 {} H 0.0 {0.660626 0.357695 0.601148} H2 1456 -1 1 {} H 0.0 {0.551712 0.647055 0.64171} H3 1457 -1 1 {} H 0.0 {0.548615 0.639246 0.627689} H4 1458 -1 1 {} H 0.0 {0.600587 0.340977 0.563813} H5 1459 -1 1 {} H 0.0 {0.586904 0.648478 0.640451} H6 1460 -1 1 {} H 0.0 {0.576051 0.63129 0.609224} H7 1461 -1 1 {} H 0.0 {0.562652 0.622366 0.614965} H8 1462 -1 1 {} H 0.0 {0.6246 0.323904 0.590942} H9 1463 -1 1 {} H 0.0 {0.621201 0.337 0.582783} H10 1464 -1 1 {} H 0.0 {0.600528 0.299721 0.566251} H11 1465 -1 1 {} H 0.0 {0.610141 0.307337 0.556086} H12 1466 -1 1 {} H 0.0 {0.69179 0.514098 0.297} H13 1467 -1 1 {} H 0.0 {0.594582 0.328678 0.55276} H14 1468 -1 1 {} H 0.0 {0.562053 0.344173 0.574763} H15 1469 -1 1 {} H 0.0 {0.578245 0.381554 0.589989} H16 1470 -1 1 {} H 0.0 {0.56167 0.387494 0.588927} H17 1471 -1 1 {} H 0.0 {0.569251 0.384412 0.574309} H18 1472 -1 1 {} H 0.0 {0.595848 0.356526 0.577155} H19 1473 -1 1 {} H 0.0 {0.571014 0.312677 0.568778} H20 1474 -1 1 {} H 0.0 {0.5715 0.32372 0.556889} H21 1475 -1 1 {} H 0.0 {0.691338 0.333028 0.583639} H22 1476 -1 14 {} Si 0.0 {0.533597 0.305005 0.67291} Si1 1477 -1 8 {} O 0.0 {0.703926 0.652467 0.610967} O1 1478 -1 14 {} Si 0.0 {0.69405 0.644577 0.602092} Si2 1479 -1 8 {} O 0.0 {0.679253 0.648749 0.603402} O2 1480 -1 14 {} Si 0.0 {0.674573 0.622101 0.326519} Si3 1481 -1 7 {} N 0.0 {0.660158 0.620733 0.318645} N1 1482 -1 14 {} Si 0.0 {0.65734 0.312479 0.436477} Si4 1483 -1 14 {} Si 0.0 {0.64984 0.611002 0.310839} Si5 1484 -1 7 {} N 0.0 {0.702444 0.303163 0.370661} N2 1485 -1 7 {} N 0.0 {0.667377 0.29988 0.425442} N3 1486 -1 7 {} N 0.0 {0.480779 0.281911 0.60952} N4 1487 -1 7 {} N 0.0 {0.639197 0.622065 0.297899} N5 1488 -1 7 {} N 0.0 {0.454236 0.471195 0.637403} N6 1489 -1 7 {} N 0.0 {0.637047 0.601276 0.32345} N7 1490 -1 8 {} O 0.0 {0.696992 0.628938 0.602063} O3 1491 -1 6 {} C 0.0 {0.531173 0.313602 0.687811} C1 1492 -1 8 {} O 0.0 {0.53922 0.29077 0.668722} O4 1493 -1 7 {} N 0.0 {0.687186 0.60934 0.320599} N8 1494 -1 8 {} O 0.0 {0.670684 0.608461 0.343191} O5 1495 -1 1 {} H 0.0 {0.576181 0.624966 0.624951} H1 1496 -1 1 {} H 0.0 {0.696294 0.625047 0.593326} H2 1497 -1 1 {} H 0.0 {0.710882 0.302708 0.36542} H3 1498 -1 1 {} H 0.0 {0.707221 0.299196 0.385617} H4 1499 -1 1 {} H 0.0 {0.716398 0.674276 0.447993} H5 1500 -1 1 {} H 0.0 {0.670908 0.306315 0.418004} H6 1501 -1 1 {} H 0.0 {0.481616 0.287153 0.61814} H7 1502 -1 1 {} H 0.0 {0.490875 0.280166 0.607009} H8 1503 -1 1 {} H 0.0 {0.643552 0.631222 0.299202} H9 1504 -1 1 {} H 0.0 {0.630328 0.622921 0.302417} H10 1505 -1 1 {} H 0.0 {0.459647 0.474284 0.628861} H11 1506 -1 1 {} H 0.0 {0.443798 0.472195 0.635896} H12 1507 -1 1 {} H 0.0 {0.629208 0.607193 0.320563} H13 1508 -1 1 {} H 0.0 {0.641763 0.606381 0.330813} H14 1509 -1 1 {} H 0.0 {0.543587 0.306485 0.527429} H15 1510 -1 1 {} H 0.0 {0.554427 0.519974 0.688484} H16 1511 -1 1 {} H 0.0 {0.528587 0.305007 0.694052} H17 1512 -1 1 {} H 0.0 {0.551812 0.343136 0.699386} H18 1513 -1 1 {} H 0.0 {0.539864 0.290308 0.658996} H19 1514 -1 1 {} H 0.0 {0.696411 0.614082 0.321912} H20 1515 -1 1 {} H 0.0 {0.686565 0.603509 0.329349} H21 1516 -1 1 {} H 0.0 {0.677988 0.609016 0.349018} H22 1517 -1 14 {} Si 0.0 {0.423786 0.514397 0.628487} Si1 1518 -1 8 {} O 0.0 {0.411739 0.511928 0.617216} O1 1519 -1 14 {} Si 0.0 {0.406527 0.507688 0.603555} Si2 1520 -1 8 {} O 0.0 {0.420495 0.504357 0.595886} O2 1521 -1 14 {} Si 0.0 {0.432418 0.509838 0.587923} Si3 1522 -1 7 {} N 0.0 {0.448634 0.498544 0.588221} N1 1523 -1 14 {} Si 0.0 {0.4635 0.499318 0.594106} Si4 1524 -1 14 {} Si 0.0 {0.446836 0.483669 0.580873} Si5 1525 -1 7 {} N 0.0 {0.478416 0.488943 0.583501} N2 1526 -1 7 {} N 0.0 {0.463713 0.495733 0.613362} N3 1527 -1 7 {} N 0.0 {0.467863 0.518662 0.592762} N4 1528 -1 7 {} N 0.0 {0.454548 0.467864 0.592726} N5 1529 -1 7 {} N 0.0 {0.42809 0.480647 0.577397} N6 1530 -1 7 {} N 0.0 {0.454975 0.481078 0.564188} N7 1531 -1 8 {} O 0.0 {0.416628 0.527837 0.632891} O3 1532 -1 6 {} C 0.0 {0.440739 0.513494 0.624491} C1 1533 -1 8 {} O 0.0 {0.416085 0.500346 0.64362} O4 1534 -1 7 {} N 0.0 {0.438791 0.527529 0.590304} N8 1535 -1 8 {} O 0.0 {0.425424 0.509456 0.573794} O5 1536 -1 1 {} H 0.0 {0.398937 0.517148 0.596655} H1 1537 -1 1 {} H 0.0 {0.397015 0.495127 0.606289} H2 1538 -1 1 {} H 0.0 {0.473203 0.481072 0.580174} H3 1539 -1 1 {} H 0.0 {0.483949 0.485906 0.59214} H4 1540 -1 1 {} H 0.0 {0.453796 0.49442 0.614434} H5 1541 -1 1 {} H 0.0 {0.46727 0.486418 0.611588} H6 1542 -1 1 {} H 0.0 {0.45917 0.521712 0.597434} H7 1543 -1 1 {} H 0.0 {0.475181 0.519279 0.599748} H8 1544 -1 1 {} H 0.0 {0.45949 0.462308 0.584886} H9 1545 -1 1 {} H 0.0 {0.445982 0.462173 0.594277} H10 1546 -1 1 {} H 0.0 {0.426631 0.4748 0.585987} H11 1547 -1 1 {} H 0.0 {0.424165 0.490146 0.579229} H12 1548 -1 1 {} H 0.0 {0.448481 0.475495 0.558634} H13 1549 -1 1 {} H 0.0 {0.454361 0.49018 0.559315} H14 1550 -1 1 {} H 0.0 {0.40974 0.525787 0.640864} H15 1551 -1 1 {} H 0.0 {0.449093 0.521706 0.636579} H16 1552 -1 1 {} H 0.0 {0.441905 0.517231 0.614344} H17 1553 -1 1 {} H 0.0 {0.44431 0.50418 0.625594} H18 1554 -1 1 {} H 0.0 {0.414242 0.491751 0.638442} H19 1555 -1 1 {} H 0.0 {0.431276 0.533256 0.58662} H20 1556 -1 1 {} H 0.0 {0.446395 0.528771 0.583726} H21 1557 -1 1 {} H 0.0 {0.423936 0.51862 0.570951} H22 1558 -1 14 {} Si 0.0 {0.543285 0.644823 0.6641} Si1 1559 -1 8 {} O 0.0 {0.547277 0.63264 0.654474} O1 1560 -1 14 {} Si 0.0 {0.55087 0.619651 0.645638} Si2 1561 -1 8 {} O 0.0 {0.54789 0.608434 0.655862} O2 1562 -1 14 {} Si 0.0 {0.557201 0.601043 0.666489} Si3 1563 -1 7 {} N 0.0 {0.593374 0.579652 0.640488} N1 1564 -1 14 {} Si 0.0 {0.587891 0.580283 0.655638} Si4 1565 -1 14 {} Si 0.0 {0.583627 0.575973 0.628679} Si5 1566 -1 7 {} N 0.0 {0.580446 0.562648 0.659332} N2 1567 -1 7 {} N 0.0 {0.573592 0.594314 0.659112} N3 1568 -1 7 {} N 0.0 {0.603167 0.581763 0.66689} N4 1569 -1 7 {} N 0.0 {0.567795 0.586752 0.62737} N5 1570 -1 7 {} N 0.0 {0.594632 0.583127 0.612471} N6 1571 -1 7 {} N 0.0 {0.578755 0.557384 0.626511} N7 1572 -1 8 {} O 0.0 {0.527959 0.659742 0.659252} O3 1573 -1 6 {} C 0.0 {0.528481 0.648483 0.671721} C1 1574 -1 8 {} O 0.0 {0.558064 0.647218 0.669816} O4 1575 -1 7 {} N 0.0 {0.548447 0.583838 0.671437} N8 1576 -1 8 {} O 0.0 {0.555605 0.610978 0.678746} O5 1577 -1 1 {} H 0.0 {0.56537 0.618815 0.640526} H1 1578 -1 1 {} H 0.0 {0.542262 0.619531 0.632763} H2 1579 -1 1 {} H 0.0 {0.571606 0.566591 0.66278} H3 1580 -1 1 {} H 0.0 {0.578746 0.560607 0.649705} H4 1581 -1 1 {} H 0.0 {0.57927 0.603057 0.661041} H5 1582 -1 1 {} H 0.0 {0.571878 0.595565 0.649062} H6 1583 -1 1 {} H 0.0 {0.599439 0.586538 0.675258} H7 1584 -1 1 {} H 0.0 {0.604642 0.572288 0.670578} H8 1585 -1 1 {} H 0.0 {0.568702 0.588873 0.617461} H9 1586 -1 1 {} H 0.0 {0.559734 0.580121 0.628284} H10 1587 -1 1 {} H 0.0 {0.602287 0.586934 0.618441} H11 1588 -1 1 {} H 0.0 {0.598641 0.57404 0.609323} H12 1589 -1 1 {} H 0.0 {0.582199 0.556778 0.617121} H13 1590 -1 1 {} H 0.0 {0.568623 0.559248 0.624725} H14 1591 -1 1 {} H 0.0 {0.522263 0.655766 0.652252} H15 1592 -1 1 {} H 0.0 {0.699123 0.585719 0.518789} H16 1593 -1 1 {} H 0.0 {0.521886 0.643843 0.678898} H17 1594 -1 1 {} H 0.0 {0.514905 0.649945 0.618612} H18 1595 -1 1 {} H 0.0 {0.564635 0.648108 0.662351} H19 1596 -1 1 {} H 0.0 {0.539059 0.585392 0.666977} H20 1597 -1 1 {} H 0.0 {0.547006 0.586349 0.681793} H21 1598 -1 1 {} H 0.0 {0.565108 0.614089 0.67989} H22 1599 -1 14 {} Si 0.0 {0.556838 0.566612 0.508855} Si1 1600 -1 8 {} O 0.0 {0.541469 0.571411 0.511367} O1 1601 -1 14 {} Si 0.0 {0.528623 0.579713 0.508616} Si2 1602 -1 8 {} O 0.0 {0.520416 0.575654 0.521145} O2 1603 -1 14 {} Si 0.0 {0.511614 0.578153 0.533924} Si3 1604 -1 7 {} N 0.0 {0.501606 0.562166 0.536367} N1 1605 -1 14 {} Si 0.0 {0.514403 0.548758 0.544194} Si4 1606 -1 14 {} Si 0.0 {0.487241 0.555658 0.534644} Si5 1607 -1 7 {} N 0.0 {0.511105 0.533012 0.542438} N2 1608 -1 7 {} N 0.0 {0.515438 0.552128 0.562924} N3 1609 -1 7 {} N 0.0 {0.531059 0.551169 0.535605} N4 1610 -1 7 {} N 0.0 {0.473859 0.570956 0.533125} N5 1611 -1 7 {} N 0.0 {0.485227 0.546972 0.518262} N6 1612 -1 7 {} N 0.0 {0.479332 0.54334 0.547052} N7 1613 -1 8 {} O 0.0 {0.55622 0.55749 0.495711} O3 1614 -1 6 {} C 0.0 {0.570503 0.57989 0.510977} C1 1615 -1 8 {} O 0.0 {0.555952 0.553672 0.51832} O4 1616 -1 7 {} N 0.0 {0.499485 0.592722 0.533818} N8 1617 -1 8 {} O 0.0 {0.523521 0.578866 0.544497} O5 1618 -1 1 {} H 0.0 {0.522141 0.572252 0.495994} H1 1619 -1 1 {} H 0.0 {0.581907 0.641641 0.522067} H2 1620 -1 1 {} H 0.0 {0.531098 0.483801 0.556216} H3 1621 -1 1 {} H 0.0 {0.50173 0.530344 0.545348} H4 1622 -1 1 {} H 0.0 {0.506796 0.549008 0.56689} H5 1623 -1 1 {} H 0.0 {0.52273 0.545697 0.565528} H6 1624 -1 1 {} H 0.0 {0.53042 0.560095 0.530644} H7 1625 -1 1 {} H 0.0 {0.536223 0.5525 0.544058} H8 1626 -1 1 {} H 0.0 {0.479968 0.579051 0.535029} H9 1627 -1 1 {} H 0.0 {0.469984 0.573777 0.524427} H10 1628 -1 1 {} H 0.0 {0.494247 0.544074 0.515038} H11 1629 -1 1 {} H 0.0 {0.48212 0.553896 0.511436} H12 1630 -1 1 {} H 0.0 {0.476846 0.536791 0.540196} H13 1631 -1 1 {} H 0.0 {0.470936 0.548868 0.548509} H14 1632 -1 1 {} H 0.0 {0.546885 0.557896 0.492026} H15 1633 -1 1 {} H 0.0 {0.572094 0.581255 0.521} H16 1634 -1 1 {} H 0.0 {0.566123 0.588459 0.506709} H17 1635 -1 1 {} H 0.0 {0.578461 0.577115 0.504318} H18 1636 -1 1 {} H 0.0 {0.546693 0.552082 0.520713} H19 1637 -1 1 {} H 0.0 {0.500829 0.597427 0.542731} H20 1638 -1 1 {} H 0.0 {0.503986 0.598736 0.526622} H21 1639 -1 1 {} H 0.0 {0.522409 0.571352 0.550054} H22 1640 -1 14 {} Si 0.0 {0.588372 0.473315 0.61316} Si1 1641 -1 8 {} O 0.0 {0.583552 0.483942 0.624274} O1 1642 -1 14 {} Si 0.0 {0.582301 0.498822 0.629168} Si2 1643 -1 8 {} O 0.0 {0.593986 0.505154 0.620672} O2 1644 -1 14 {} Si 0.0 {0.607675 0.511547 0.616671} Si3 1645 -1 7 {} N 0.0 {0.61233 0.520115 0.602461} N1 1646 -1 14 {} Si 0.0 {0.600253 0.531176 0.602107} Si4 1647 -1 14 {} Si 0.0 {0.623236 0.523765 0.591055} Si5 1648 -1 7 {} N 0.0 {0.602824 0.549194 0.607268} N2 1649 -1 7 {} N 0.0 {0.584238 0.527497 0.593945} N3 1650 -1 7 {} N 0.0 {0.597889 0.516179 0.563618} N4 1651 -1 7 {} N 0.0 {0.63013 0.50684 0.581251} N5 1652 -1 7 {} N 0.0 {0.617701 0.535685 0.577712} N6 1653 -1 7 {} N 0.0 {0.639572 0.530624 0.601763} N7 1654 -1 8 {} O 0.0 {0.576591 0.462437 0.61473} O3 1655 -1 6 {} C 0.0 {0.6039 0.475975 0.597594} C1 1656 -1 8 {} O 0.0 {0.608948 0.459703 0.59605} O4 1657 -1 7 {} N 0.0 {0.566659 0.509989 0.631429} N8 1658 -1 8 {} O 0.0 {0.609931 0.521247 0.628858} O5 1659 -1 1 {} H 0.0 {0.586724 0.498398 0.642019} H1 1660 -1 1 {} H 0.0 {0.596429 0.357948 0.690003} H2 1661 -1 1 {} H 0.0 {0.611153 0.55247 0.603235} H3 1662 -1 1 {} H 0.0 {0.604277 0.549237 0.617445} H4 1663 -1 1 {} H 0.0 {0.585028 0.517222 0.590552} H5 1664 -1 1 {} H 0.0 {0.585197 0.532348 0.585011} H6 1665 -1 1 {} H 0.0 {0.595558 0.515141 0.553232} H7 1666 -1 1 {} H 0.0 {0.607129 0.520795 0.564365} H8 1667 -1 1 {} H 0.0 {0.634511 0.51045 0.572529} H9 1668 -1 1 {} H 0.0 {0.621109 0.502407 0.578817} H10 1669 -1 1 {} H 0.0 {0.615009 0.54371 0.583277} H11 1670 -1 1 {} H 0.0 {0.625968 0.537529 0.572187} H12 1671 -1 1 {} H 0.0 {0.6451 0.522306 0.601519} H13 1672 -1 1 {} H 0.0 {0.643975 0.535639 0.593961} H14 1673 -1 1 {} H 0.0 {0.566734 0.46722 0.613235} H15 1674 -1 1 {} H 0.0 {0.520067 0.417217 0.679251} H16 1675 -1 1 {} H 0.0 {0.601376 0.481366 0.589412} H17 1676 -1 1 {} H 0.0 {0.599685 0.465496 0.619234} H18 1677 -1 1 {} H 0.0 {0.607549 0.458961 0.586614} H19 1678 -1 1 {} H 0.0 {0.571528 0.518511 0.634141} H20 1679 -1 1 {} H 0.0 {0.563258 0.505409 0.639775} H21 1680 -1 1 {} H 0.0 {0.611011 0.522057 0.650879} H22 1681 -1 14 {} Si 0.0 {0.605252 0.61922 0.634658} Si1 1682 -1 8 {} O 0.0 {0.610304 0.620183 0.648994} O1 1683 -1 14 {} Si 0.0 {0.612527 0.628841 0.662202} Si2 1684 -1 8 {} O 0.0 {0.612409 0.642895 0.656159} O2 1685 -1 14 {} Si 0.0 {0.608156 0.658021 0.655127} Si3 1686 -1 7 {} N 0.0 {0.621076 0.668572 0.659922} N1 1687 -1 14 {} Si 0.0 {0.621308 0.686817 0.650774} Si4 1688 -1 14 {} Si 0.0 {0.629396 0.667509 0.674262} Si5 1689 -1 7 {} N 0.0 {0.616751 0.685402 0.635805} N2 1690 -1 7 {} N 0.0 {0.641246 0.690865 0.651071} N3 1691 -1 7 {} N 0.0 {0.612987 0.701858 0.661065} N4 1692 -1 7 {} N 0.0 {0.616799 0.663031 0.688143} N5 1693 -1 7 {} N 0.0 {0.642342 0.656968 0.675091} N6 1694 -1 7 {} N 0.0 {0.635425 0.684584 0.679945} N7 1695 -1 8 {} O 0.0 {0.613857 0.600886 0.631225} O3 1696 -1 6 {} C 0.0 {0.610158 0.633275 0.62312} C1 1697 -1 8 {} O 0.0 {0.589754 0.617366 0.637476} O4 1698 -1 7 {} N 0.0 {0.592508 0.661463 0.665772} N8 1699 -1 8 {} O 0.0 {0.603515 0.659774 0.638812} O5 1700 -1 1 {} H 0.0 {0.627599 0.626581 0.668756} H1 1701 -1 1 {} H 0.0 {0.600976 0.626942 0.671943} H2 1702 -1 1 {} H 0.0 {0.567536 0.483013 0.393732} H3 1703 -1 1 {} H 0.0 {0.570531 0.477727 0.389684} H4 1704 -1 1 {} H 0.0 {0.644636 0.683485 0.656364} H5 1705 -1 1 {} H 0.0 {0.640287 0.698541 0.657988} H6 1706 -1 1 {} H 0.0 {0.603426 0.702406 0.656415} H7 1707 -1 1 {} H 0.0 {0.61659 0.709736 0.656217} H8 1708 -1 1 {} H 0.0 {0.607324 0.663451 0.683944} H9 1709 -1 1 {} H 0.0 {0.618062 0.653399 0.689933} H10 1710 -1 1 {} H 0.0 {0.639445 0.649572 0.681222} H11 1711 -1 1 {} H 0.0 {0.649828 0.662641 0.67983} H12 1712 -1 1 {} H 0.0 {0.630274 0.691266 0.674858} H13 1713 -1 1 {} H 0.0 {0.631534 0.686309 0.688821} H14 1714 -1 1 {} H 0.0 {0.606502 0.594808 0.636241} H15 1715 -1 1 {} H 0.0 {0.603801 0.632551 0.613974} H16 1716 -1 1 {} H 0.0 {0.620375 0.629563 0.620482} H17 1717 -1 1 {} H 0.0 {0.610786 0.642208 0.628563} H18 1718 -1 1 {} H 0.0 {0.588562 0.617342 0.647479} H19 1719 -1 1 {} H 0.0 {0.59063 0.652444 0.669021} H20 1720 -1 1 {} H 0.0 {0.584849 0.664377 0.660194} H21 1721 -1 1 {} H 0.0 {0.607064 0.668138 0.635373} H22 1722 -1 14 {} Si 0.0 {0.354233 0.531963 0.383697} Si1 1723 -1 8 {} O 0.0 {0.352762 0.516329 0.380793} O1 1724 -1 14 {} Si 0.0 {0.354263 0.50059 0.380174} Si2 1725 -1 8 {} O 0.0 {0.367866 0.500444 0.372747} O2 1726 -1 14 {} Si 0.0 {0.383144 0.502408 0.376289} Si3 1727 -1 7 {} N 0.0 {0.389765 0.495449 0.388319} N1 1728 -1 14 {} Si 0.0 {0.417677 0.507811 0.383401} Si4 1729 -1 14 {} Si 0.0 {0.402272 0.507994 0.412967} Si5 1730 -1 7 {} N 0.0 {0.431171 0.495137 0.390674} N2 1731 -1 7 {} N 0.0 {0.402582 0.500957 0.395564} N3 1732 -1 7 {} N 0.0 {0.421172 0.523228 0.392587} N4 1733 -1 7 {} N 0.0 {0.394373 0.495356 0.420987} N5 1734 -1 7 {} N 0.0 {0.418457 0.509369 0.419371} N6 1735 -1 7 {} N 0.0 {0.391685 0.522539 0.414199} N7 1736 -1 8 {} O 0.0 {0.341024 0.530181 0.401365} O3 1737 -1 6 {} C 0.0 {0.352764 0.542728 0.370611} C1 1738 -1 8 {} O 0.0 {0.366806 0.531372 0.394375} O4 1739 -1 7 {} N 0.0 {0.394672 0.505603 0.360488} N8 1740 -1 8 {} O 0.0 {0.362072 0.449878 0.407656} O5 1741 -1 1 {} H 0.0 {0.336342 0.489738 0.371199} H1 1742 -1 1 {} H 0.0 {0.371714 0.495979 0.399736} H2 1743 -1 1 {} H 0.0 {0.438845 0.501896 0.390327} H3 1744 -1 1 {} H 0.0 {0.432273 0.490082 0.381482} H4 1745 -1 1 {} H 0.0 {0.408798 0.493045 0.398366} H5 1746 -1 1 {} H 0.0 {0.361881 0.440802 0.402938} H6 1747 -1 1 {} H 0.0 {0.412442 0.523738 0.398021} H7 1748 -1 1 {} H 0.0 {0.427678 0.520585 0.399656} H8 1749 -1 1 {} H 0.0 {0.390442 0.490306 0.413323} H9 1750 -1 1 {} H 0.0 {0.400173 0.488929 0.426188} H10 1751 -1 1 {} H 0.0 {0.423507 0.502031 0.414166} H11 1752 -1 1 {} H 0.0 {0.417931 0.506425 0.429301} H12 1753 -1 1 {} H 0.0 {0.385261 0.520516 0.422348} H13 1754 -1 1 {} H 0.0 {0.398397 0.529379 0.417853} H14 1755 -1 1 {} H 0.0 {0.345533 0.521565 0.404192} H15 1756 -1 1 {} H 0.0 {0.345709 0.550513 0.370259} H16 1757 -1 1 {} H 0.0 {0.360562 0.542176 0.363709} H17 1758 -1 1 {} H 0.0 {0.706132 0.468018 0.454569} H18 1759 -1 1 {} H 0.0 {0.37394 0.535685 0.388939} H19 1760 -1 1 {} H 0.0 {0.393212 0.51564 0.36022} H20 1761 -1 1 {} H 0.0 {0.388097 0.5019 0.353534} H21 1762 -1 1 {} H 0.0 {0.35316 0.452987 0.405196} H22 1763 -1 14 {} Si 0.0 {0.526089 0.599571 0.392235} Si1 1764 -1 8 {} O 0.0 {0.523799 0.615197 0.389928} O1 1765 -1 14 {} Si 0.0 {0.51955 0.626668 0.380461} Si2 1766 -1 8 {} O 0.0 {0.506864 0.620373 0.374575} O2 1767 -1 14 {} Si 0.0 {0.491867 0.617612 0.375569} Si3 1768 -1 7 {} N 0.0 {0.488611 0.600219 0.36762} N1 1769 -1 14 {} Si 0.0 {0.498758 0.591958 0.353292} Si4 1770 -1 14 {} Si 0.0 {0.485147 0.58596 0.373762} Si5 1771 -1 7 {} N 0.0 {0.515858 0.599715 0.351607} N2 1772 -1 7 {} N 0.0 {0.490309 0.59493 0.339892} N3 1773 -1 7 {} N 0.0 {0.505198 0.57334 0.352943} N4 1774 -1 7 {} N 0.0 {0.489597 0.584352 0.390922} N5 1775 -1 7 {} N 0.0 {0.468556 0.57894 0.372152} N6 1776 -1 7 {} N 0.0 {0.477328 0.560102 0.350534} N7 1777 -1 8 {} O 0.0 {0.544191 0.603922 0.399257} O3 1778 -1 6 {} C 0.0 {0.524908 0.585812 0.379404} C1 1779 -1 8 {} O 0.0 {0.518328 0.599293 0.40665} O4 1780 -1 7 {} N 0.0 {0.479427 0.628334 0.367704} N8 1781 -1 8 {} O 0.0 {0.49025 0.615726 0.391218} O5 1782 -1 1 {} H 0.0 {0.528293 0.627805 0.367763} H1 1783 -1 1 {} H 0.0 {0.516642 0.624923 0.407973} H2 1784 -1 1 {} H 0.0 {0.514864 0.60784 0.357543} H3 1785 -1 1 {} H 0.0 {0.515535 0.604147 0.342126} H4 1786 -1 1 {} H 0.0 {0.48552 0.607629 0.411986} H5 1787 -1 1 {} H 0.0 {0.481721 0.59053 0.341236} H6 1788 -1 1 {} H 0.0 {0.505605 0.57166 0.342606} H7 1789 -1 1 {} H 0.0 {0.514946 0.574462 0.355918} H8 1790 -1 1 {} H 0.0 {0.486859 0.594059 0.394302} H9 1791 -1 1 {} H 0.0 {0.483192 0.577572 0.394638} H10 1792 -1 1 {} H 0.0 {0.470454 0.569099 0.372672} H11 1793 -1 1 {} H 0.0 {0.463006 0.580779 0.380654} H12 1794 -1 1 {} H 0.0 {0.485817 0.563529 0.355494} H13 1795 -1 1 {} H 0.0 {0.479906 0.557006 0.341026} H14 1796 -1 1 {} H 0.0 {0.54386 0.613621 0.400646} H15 1797 -1 1 {} H 0.0 {0.528919 0.577008 0.383058} H16 1798 -1 1 {} H 0.0 {0.532382 0.587947 0.37101} H17 1799 -1 1 {} H 0.0 {0.514433 0.585987 0.377223} H18 1800 -1 1 {} H 0.0 {0.524698 0.5988 0.413777} H19 1801 -1 1 {} H 0.0 {0.483554 0.633144 0.359599} H20 1802 -1 1 {} H 0.0 {0.473879 0.621156 0.363224} H21 1803 -1 1 {} H 0.0 {0.498658 0.617054 0.396236} H22 1804 -1 14 {} Si 0.0 {0.674955 0.531332 0.568744} Si1 1805 -1 8 {} O 0.0 {0.671679 0.546177 0.564518} O1 1806 -1 14 {} Si 0.0 {0.687955 0.552443 0.573972} Si2 1807 -1 8 {} O 0.0 {0.677769 0.557159 0.585888} O2 1808 -1 14 {} Si 0.0 {0.671474 0.5598 0.600024} Si3 1809 -1 7 {} N 0.0 {0.662486 0.547385 0.611965} N1 1810 -1 14 {} Si 0.0 {0.649266 0.540208 0.61704} Si4 1811 -1 14 {} Si 0.0 {0.673925 0.536494 0.61} Si5 1812 -1 7 {} N 0.0 {0.649728 0.529875 0.634632} N2 1813 -1 7 {} N 0.0 {0.636463 0.554567 0.621212} N3 1814 -1 7 {} N 0.0 {0.292875 0.547327 0.548022} N4 1815 -1 7 {} N 0.0 {0.364708 0.56817 0.522331} N5 1816 -1 7 {} N 0.0 {0.683754 0.533155 0.628074} N6 1817 -1 7 {} N 0.0 {0.670094 0.517053 0.603933} N7 1818 -1 8 {} O 0.0 {0.684872 0.527662 0.556794} O3 1819 -1 6 {} C 0.0 {0.627223 0.318782 0.349823} C1 1820 -1 8 {} O 0.0 {0.686132 0.537031 0.578642} O4 1821 -1 7 {} N 0.0 {0.677819 0.571547 0.608825} N8 1822 -1 8 {} O 0.0 {0.340403 0.74202 0.601553} O5 1823 -1 1 {} H 0.0 {0.687161 0.551593 0.663217} H1 1824 -1 1 {} H 0.0 {0.325299 0.761075 0.596735} H2 1825 -1 1 {} H 0.0 {0.654294 0.521097 0.631232} H3 1826 -1 1 {} H 0.0 {0.640106 0.527153 0.638273} H4 1827 -1 1 {} H 0.0 {0.630043 0.55115 0.628705} H5 1828 -1 1 {} H 0.0 {0.631167 0.554604 0.613144} H6 1829 -1 1 {} H 0.0 {0.299904 0.54105 0.55218} H7 1830 -1 1 {} H 0.0 {0.290718 0.543825 0.538825} H8 1831 -1 1 {} H 0.0 {0.368168 0.559219 0.518583} H9 1832 -1 1 {} H 0.0 {0.359097 0.565806 0.530468} H10 1833 -1 1 {} H 0.0 {0.675119 0.531311 0.633265} H11 1834 -1 1 {} H 0.0 {0.686002 0.522796 0.625565} H12 1835 -1 1 {} H 0.0 {0.670549 0.517829 0.593617} H13 1836 -1 1 {} H 0.0 {0.679083 0.513288 0.606631} H14 1837 -1 1 {} H 0.0 {0.684655 0.534138 0.549886} H15 1838 -1 1 {} H 0.0 {0.629192 0.318498 0.339767} H16 1839 -1 1 {} H 0.0 {0.616945 0.320847 0.351092} H17 1840 -1 1 {} H 0.0 {0.628888 0.310819 0.356941} H18 1841 -1 1 {} H 0.0 {0.701549 0.527896 0.293137} H19 1842 -1 1 {} H 0.0 {0.283423 0.611155 0.544459} H20 1843 -1 1 {} H 0.0 {0.677377 0.571037 0.618465} H21 1844 -1 1 {} H 0.0 {0.339161 0.735776 0.593685} H22 1845 -1 14 {} Si 0.0 {0.621969 0.573289 0.512224} Si1 1846 -1 8 {} O 0.0 {0.61611 0.564422 0.501206} O1 1847 -1 14 {} Si 0.0 {0.608824 0.567123 0.487362} Si2 1848 -1 8 {} O 0.0 {0.624374 0.622365 0.535754} O2 1849 -1 14 {} Si 0.0 {0.623734 0.66635 0.546116} Si3 1850 -1 7 {} N 0.0 {0.615552 0.667577 0.559736} N1 1851 -1 14 {} Si 0.0 {0.626148 0.669199 0.572379} Si4 1852 -1 14 {} Si 0.0 {0.599906 0.668668 0.553916} Si5 1853 -1 7 {} N 0.0 {0.617953 0.682583 0.584266} N2 1854 -1 7 {} N 0.0 {0.64378 0.674773 0.56696} N3 1855 -1 7 {} N 0.0 {0.628559 0.652717 0.581994} N4 1856 -1 7 {} N 0.0 {0.588921 0.677005 0.568577} N5 1857 -1 7 {} N 0.0 {0.596616 0.676606 0.535816} N6 1858 -1 7 {} N 0.0 {0.592114 0.651564 0.553224} N7 1859 -1 8 {} O 0.0 {0.603257 0.5687 0.535877} O3 1860 -1 6 {} C 0.0 {0.576051 0.575706 0.470718} C1 1861 -1 8 {} O 0.0 {0.589448 0.695822 0.535569} O4 1862 -1 7 {} N 0.0 {0.493764 0.662042 0.373929} N8 1863 -1 8 {} O 0.0 {0.66532 0.629608 0.522468} O5 1864 -1 1 {} H 0.0 {0.59083 0.522067 0.568513} H1 1865 -1 1 {} H 0.0 {0.626372 0.340774 0.411317} H2 1866 -1 1 {} H 0.0 {0.625112 0.68745 0.590093} H3 1867 -1 1 {} H 0.0 {0.613152 0.677254 0.591313} H4 1868 -1 1 {} H 0.0 {0.645466 0.680817 0.574806} H5 1869 -1 1 {} H 0.0 {0.641295 0.680056 0.558586} H6 1870 -1 1 {} H 0.0 {0.63396 0.654973 0.590194} H7 1871 -1 1 {} H 0.0 {0.633645 0.646272 0.576011} H8 1872 -1 1 {} H 0.0 {0.586008 0.685428 0.563388} H9 1873 -1 1 {} H 0.0 {0.596922 0.679842 0.573833} H10 1874 -1 1 {} H 0.0 {0.588658 0.671632 0.53212} H11 1875 -1 1 {} H 0.0 {0.604629 0.673305 0.530553} H12 1876 -1 1 {} H 0.0 {0.593463 0.648356 0.543219} H13 1877 -1 1 {} H 0.0 {0.581795 0.653427 0.553609} H14 1878 -1 1 {} H 0.0 {0.600973 0.558648 0.534082} H15 1879 -1 1 {} H 0.0 {0.567054 0.576474 0.476958} H16 1880 -1 1 {} H 0.0 {0.57108 0.572316 0.461647} H17 1881 -1 1 {} H 0.0 {0.582171 0.568523 0.475134} H18 1882 -1 1 {} H 0.0 {0.611605 0.570864 0.526368} H19 1883 -1 1 {} H 0.0 {0.495362 0.660077 0.38382} H20 1884 -1 1 {} H 0.0 {0.484233 0.66636 0.373644} H21 1885 -1 1 {} H 0.0 {0.660356 0.621717 0.527099} H22 1886 -1 14 {} Si 0.0 {0.451792 0.469721 0.389466} Si1 1887 -1 8 {} O 0.0 {0.468781 0.47015 0.379621} O1 1888 -1 14 {} Si 0.0 {0.477556 0.460943 0.370402} Si2 1889 -1 8 {} O 0.0 {0.483741 0.45244 0.382833} O2 1890 -1 14 {} Si 0.0 {0.492229 0.447927 0.395383} Si3 1891 -1 7 {} N 0.0 {0.481548 0.445522 0.411093} N1 1892 -1 14 {} Si 0.0 {0.474235 0.430935 0.411884} Si4 1893 -1 14 {} Si 0.0 {0.479746 0.456626 0.422879} Si5 1894 -1 7 {} N 0.0 {0.458476 0.432066 0.4234} N2 1895 -1 7 {} N 0.0 {0.484284 0.415401 0.417261} N3 1896 -1 7 {} N 0.0 {0.466851 0.427019 0.394242} N4 1897 -1 7 {} N 0.0 {0.49401 0.456076 0.435167} N5 1898 -1 7 {} N 0.0 {0.484268 0.474257 0.4141} N6 1899 -1 7 {} N 0.0 {0.462226 0.460709 0.427139} N7 1900 -1 8 {} O 0.0 {0.454651 0.455261 0.395495} O3 1901 -1 6 {} C 0.0 {0.476568 0.485094 0.372178} C1 1902 -1 8 {} O 0.0 {0.454396 0.477816 0.402689} O4 1903 -1 7 {} N 0.0 {0.50779 0.454284 0.405452} N8 1904 -1 8 {} O 0.0 {0.495973 0.434363 0.388196} O5 1905 -1 1 {} H 0.0 {0.489503 0.531331 0.354834} H1 1906 -1 1 {} H 0.0 {0.467321 0.451499 0.36369} H2 1907 -1 1 {} H 0.0 {0.456344 0.441135 0.420072} H3 1908 -1 1 {} H 0.0 {0.462309 0.433742 0.432819} H4 1909 -1 1 {} H 0.0 {0.493392 0.419705 0.417809} H5 1910 -1 1 {} H 0.0 {0.484924 0.410813 0.408332} H6 1911 -1 1 {} H 0.0 {0.457083 0.429579 0.395604} H7 1912 -1 1 {} H 0.0 {0.470898 0.433161 0.387462} H8 1913 -1 1 {} H 0.0 {0.493109 0.464731 0.440671} H9 1914 -1 1 {} H 0.0 {0.501746 0.458633 0.42846} H10 1915 -1 1 {} H 0.0 {0.485661 0.480261 0.421816} H11 1916 -1 1 {} H 0.0 {0.47474 0.476463 0.410029} H12 1917 -1 1 {} H 0.0 {0.463126 0.467033 0.435097} H13 1918 -1 1 {} H 0.0 {0.45885 0.466518 0.419683} H14 1919 -1 1 {} H 0.0 {0.46472 0.454073 0.395082} H15 1920 -1 1 {} H 0.0 {0.483388 0.487927 0.364689} H16 1921 -1 1 {} H 0.0 {0.481006 0.489224 0.380577} H17 1922 -1 1 {} H 0.0 {0.467171 0.489436 0.369592} H18 1923 -1 1 {} H 0.0 {0.446466 0.483309 0.40279} H19 1924 -1 1 {} H 0.0 {0.503637 0.462284 0.40986} H20 1925 -1 1 {} H 0.0 {0.513943 0.446675 0.405361} H21 1926 -1 1 {} H 0.0 {0.489573 0.426923 0.390028} H22 1927 -1 14 {} Si 0.0 {0.582745 0.701288 0.305339} Si1 1928 -1 8 {} O 0.0 {0.387583 0.707551 0.631748} O1 1929 -1 14 {} Si 0.0 {0.555702 0.704102 0.300181} Si2 1930 -1 8 {} O 0.0 {0.562174 0.6924 0.313787} O2 1931 -1 14 {} Si 0.0 {0.569967 0.679209 0.312598} Si3 1932 -1 7 {} N 0.0 {0.566257 0.669409 0.299033} N1 1933 -1 14 {} Si 0.0 {0.568145 0.658346 0.286282} Si4 1934 -1 14 {} Si 0.0 {0.551323 0.674787 0.295626} Si5 1935 -1 7 {} N 0.0 {0.564489 0.664099 0.267595} N2 1936 -1 7 {} N 0.0 {0.559222 0.641612 0.291832} N3 1937 -1 7 {} N 0.0 {0.587185 0.656043 0.287387} N4 1938 -1 7 {} N 0.0 {0.548141 0.693876 0.289755} N5 1939 -1 7 {} N 0.0 {0.53515 0.665419 0.304654} N6 1940 -1 7 {} N 0.0 {0.516975 0.673181 0.401125} N7 1941 -1 8 {} O 0.0 {0.334984 0.705756 0.646958} O3 1942 -1 6 {} C 0.0 {0.42829 0.299048 0.310955} C1 1943 -1 8 {} O 0.0 {0.570234 0.708089 0.299027} O4 1944 -1 7 {} N 0.0 {0.58602 0.671258 0.322985} N8 1945 -1 8 {} O 0.0 {0.592271 0.687594 0.290854} O5 1946 -1 1 {} H 0.0 {0.379564 0.708693 0.625235} H1 1947 -1 1 {} H 0.0 {0.394043 0.655183 0.590768} H2 1948 -1 1 {} H 0.0 {0.563985 0.605669 0.310218} H3 1949 -1 1 {} H 0.0 {0.571673 0.671243 0.266809} H4 1950 -1 1 {} H 0.0 {0.551281 0.640962 0.284663} H5 1951 -1 1 {} H 0.0 {0.554939 0.644075 0.300838} H6 1952 -1 1 {} H 0.0 {0.587509 0.645729 0.285949} H7 1953 -1 1 {} H 0.0 {0.590326 0.657414 0.297187} H8 1954 -1 1 {} H 0.0 {0.592458 0.323494 0.361513} H9 1955 -1 1 {} H 0.0 {0.551612 0.693533 0.280474} H10 1956 -1 1 {} H 0.0 {0.533707 0.672816 0.311199} H11 1957 -1 1 {} H 0.0 {0.542005 0.659263 0.310288} H12 1958 -1 1 {} H 0.0 {0.50697 0.670919 0.403117} H13 1959 -1 1 {} H 0.0 {0.522883 0.670042 0.409342} H14 1960 -1 1 {} H 0.0 {0.414607 0.68373 0.650451} H15 1961 -1 1 {} H 0.0 {0.418324 0.301396 0.315155} H16 1962 -1 1 {} H 0.0 {0.428677 0.28884 0.308411} H17 1963 -1 1 {} H 0.0 {0.431577 0.305973 0.303586} H18 1964 -1 1 {} H 0.0 {0.566344 0.658851 0.258971} H19 1965 -1 1 {} H 0.0 {0.583052 0.661306 0.322079} H20 1966 -1 1 {} H 0.0 {0.583955 0.673011 0.332753} H21 1967 -1 1 {} H 0.0 {0.59929 0.682603 0.296844} H22 1968 -1 14 {} Si 0.0 {0.568184 0.32174 0.472741} Si1 1969 -1 8 {} O 0.0 {0.580722 0.330423 0.46819} O1 1970 -1 14 {} Si 0.0 {0.576194 0.298129 0.492131} Si2 1971 -1 8 {} O 0.0 {0.561379 0.293643 0.489164} O2 1972 -1 14 {} Si 0.0 {0.539525 0.682533 0.493833} Si3 1973 -1 7 {} N 0.0 {0.549029 0.687809 0.480754} N1 1974 -1 14 {} Si 0.0 {0.555053 0.685491 0.465559} Si4 1975 -1 14 {} Si 0.0 {0.555145 0.701367 0.486165} Si5 1976 -1 7 {} N 0.0 {0.564942 0.699407 0.457165} N2 1977 -1 7 {} N 0.0 {0.540391 0.679029 0.454982} N3 1978 -1 7 {} N 0.0 {0.567938 0.671781 0.4679} N4 1979 -1 7 {} N 0.0 {0.548348 0.717662 0.479474} N5 1980 -1 7 {} N 0.0 {0.464475 0.325148 0.463995} N6 1981 -1 7 {} N 0.0 {0.444634 0.296127 0.510164} N7 1982 -1 8 {} O 0.0 {0.575604 0.309082 0.479094} O3 1983 -1 6 {} C 0.0 {0.553313 0.32136 0.46099} C1 1984 -1 8 {} O 0.0 {0.567651 0.329333 0.48607} O4 1985 -1 7 {} N 0.0 {0.520746 0.679393 0.487633} N8 1986 -1 8 {} O 0.0 {0.540479 0.689006 0.508974} O5 1987 -1 1 {} H 0.0 {0.492172 0.653245 0.368928} H1 1988 -1 1 {} H 0.0 {0.560263 0.697948 0.513518} H2 1989 -1 1 {} H 0.0 {0.572953 0.693325 0.453807} H3 1990 -1 1 {} H 0.0 {0.559774 0.700019 0.448757} H4 1991 -1 1 {} H 0.0 {0.53191 0.681432 0.460493} H5 1992 -1 1 {} H 0.0 {0.542242 0.668894 0.455634} H6 1993 -1 1 {} H 0.0 {0.565906 0.66686 0.459696} H7 1994 -1 1 {} H 0.0 {0.57609 0.677776 0.465005} H8 1995 -1 1 {} H 0.0 {0.556261 0.719071 0.472674} H9 1996 -1 1 {} H 0.0 {0.541005 0.714506 0.474168} H10 1997 -1 1 {} H 0.0 {0.459641 0.320547 0.456007} H11 1998 -1 1 {} H 0.0 {0.471954 0.31816 0.466445} H12 1999 -1 1 {} H 0.0 {0.435364 0.299803 0.50743} H13 2000 -1 1 {} H 0.0 {0.443505 0.286436 0.512271} H14 2001 -1 1 {} H 0.0 {0.457665 0.324855 0.471846} H15 2002 -1 1 {} H 0.0 {0.554494 0.312273 0.45402} H16 2003 -1 1 {} H 0.0 {0.553584 0.33077 0.455763} H17 2004 -1 1 {} H 0.0 {0.543374 0.320335 0.465196} H18 2005 -1 1 {} H 0.0 {0.573167 0.325378 0.493026} H19 2006 -1 1 {} H 0.0 {0.518063 0.672587 0.495075} H20 2007 -1 1 {} H 0.0 {0.522111 0.673583 0.479481} H21 2008 -1 1 {} H 0.0 {0.539113 0.682223 0.5153} H22 2009 -1 14 {} Si 0.0 {0.662221 0.550831 0.65687} Si1 2010 -1 8 {} O 0.0 {0.632017 0.479079 0.590708} O1 2011 -1 14 {} Si 0.0 {0.619852 0.47687 0.600493} Si2 2012 -1 8 {} O 0.0 {0.52509 0.424866 0.682857} O2 2013 -1 14 {} Si 0.0 {0.546648 0.434201 0.689691} Si3 2014 -1 7 {} N 0.0 {0.558872 0.424693 0.691886} N1 2015 -1 14 {} Si 0.0 {0.572009 0.424503 0.68267} Si4 2016 -1 14 {} Si 0.0 {0.531291 0.433515 0.670596} Si5 2017 -1 7 {} N 0.0 {0.573118 0.409051 0.669335} N2 2018 -1 7 {} N 0.0 {0.585577 0.421983 0.696267} N3 2019 -1 7 {} N 0.0 {0.577555 0.442669 0.677646} N4 2020 -1 7 {} N 0.0 {0.520803 0.444148 0.658676} N5 2021 -1 7 {} N 0.0 {0.543447 0.468537 0.628295} N6 2022 -1 7 {} N 0.0 {0.520266 0.389498 0.571798} N7 2023 -1 8 {} O 0.0 {0.625479 0.271431 0.608209} O3 2024 -1 6 {} C 0.0 {0.648563 0.551489 0.667189} C1 2025 -1 8 {} O 0.0 {0.659251 0.539747 0.673967} O4 2026 -1 7 {} N 0.0 {0.502392 0.472787 0.658074} N8 2027 -1 8 {} O 0.0 {0.627978 0.411708 0.63144} O5 2028 -1 1 {} H 0.0 {0.537882 0.448027 0.675418} H1 2029 -1 1 {} H 0.0 {0.652775 0.53736 0.576709} H2 2030 -1 1 {} H 0.0 {0.581347 0.404154 0.673345} H3 2031 -1 1 {} H 0.0 {0.565015 0.402298 0.671659} H4 2032 -1 1 {} H 0.0 {0.593383 0.427792 0.694068} H5 2033 -1 1 {} H 0.0 {0.580877 0.426043 0.704067} H6 2034 -1 1 {} H 0.0 {0.569271 0.446841 0.682336} H7 2035 -1 1 {} H 0.0 {0.576181 0.442821 0.667613} H8 2036 -1 1 {} H 0.0 {0.516157 0.45037 0.665116} H9 2037 -1 1 {} H 0.0 {0.513612 0.437012 0.656164} H10 2038 -1 1 {} H 0.0 {0.533941 0.473009 0.626765} H11 2039 -1 1 {} H 0.0 {0.546669 0.474334 0.63584} H12 2040 -1 1 {} H 0.0 {0.517317 0.395996 0.56444} H13 2041 -1 1 {} H 0.0 {0.51266 0.383611 0.57414} H14 2042 -1 1 {} H 0.0 {0.69612 0.433853 0.41098} H15 2043 -1 1 {} H 0.0 {0.639586 0.547743 0.662986} H16 2044 -1 1 {} H 0.0 {0.646352 0.559863 0.673573} H17 2045 -1 1 {} H 0.0 {0.656293 0.540613 0.645662} H18 2046 -1 1 {} H 0.0 {0.600408 0.559077 0.689227} H19 2047 -1 1 {} H 0.0 {0.511864 0.469239 0.656146} H20 2048 -1 1 {} H 0.0 {0.498596 0.4755 0.649244} H21 2049 -1 1 {} H 0.0 {0.642349 0.378638 0.627329} H22 2050 -1 14 {} Si 0.0 {0.650945 0.322791 0.54804} Si1 2051 -1 8 {} O 0.0 {0.644625 0.321613 0.533758} O1 2052 -1 14 {} Si 0.0 {0.643791 0.311923 0.520866} Si2 2053 -1 8 {} O 0.0 {0.629121 0.314187 0.518179} O2 2054 -1 14 {} Si 0.0 {0.614325 0.317793 0.523544} Si3 2055 -1 7 {} N 0.0 {0.600781 0.308477 0.51724} N1 2056 -1 14 {} Si 0.0 {0.584979 0.306863 0.521992} Si4 2057 -1 14 {} Si 0.0 {0.60626 0.295106 0.503421} Si5 2058 -1 7 {} N 0.0 {0.575746 0.308486 0.507992} N2 2059 -1 7 {} N 0.0 {0.579213 0.319971 0.534221} N3 2060 -1 7 {} N 0.0 {0.584513 0.292292 0.529113} N4 2061 -1 7 {} N 0.0 {0.612442 0.283122 0.511905} N5 2062 -1 7 {} N 0.0 {0.590178 0.289102 0.493608} N6 2063 -1 7 {} N 0.0 {0.620608 0.301608 0.491301} N7 2064 -1 8 {} O 0.0 {0.638102 0.317726 0.556569} O3 2065 -1 6 {} C 0.0 {0.673251 0.325999 0.554112} C1 2066 -1 8 {} O 0.0 {0.656982 0.301358 0.550217} O4 2067 -1 7 {} N 0.0 {0.609403 0.336103 0.523438} N8 2068 -1 8 {} O 0.0 {0.616362 0.314079 0.539031} O5 2069 -1 1 {} H 0.0 {0.644023 0.296128 0.526472} H1 2070 -1 1 {} H 0.0 {0.635723 0.347854 0.483515} H2 2071 -1 1 {} H 0.0 {0.566134 0.30788 0.508994} H3 2072 -1 1 {} H 0.0 {0.977188 0.691886 0.563554} H4 2073 -1 1 {} H 0.0 {0.576038 0.327101 0.527716} H5 2074 -1 1 {} H 0.0 {0.588926 0.321574 0.536889} H6 2075 -1 1 {} H 0.0 {0.823246 0.431585 0.366303} H7 2076 -1 1 {} H 0.0 {0.591141 0.286363 0.524372} H8 2077 -1 1 {} H 0.0 {0.825899 0.427643 0.372475} H9 2078 -1 1 {} H 0.0 {0.475014 0.670103 0.540806} H10 2079 -1 1 {} H 0.0 {0.593828 0.284782 0.484889} H11 2080 -1 1 {} H 0.0 {0.61362 0.690203 0.507831} H12 2081 -1 1 {} H 0.0 {0.627676 0.306227 0.496692} H13 2082 -1 1 {} H 0.0 {0.624465 0.29316 0.486965} H14 2083 -1 1 {} H 0.0 {0.635302 0.326271 0.56078} H15 2084 -1 1 {} H 0.0 {0.673793 0.329127 0.563892} H16 2085 -1 1 {} H 0.0 {0.676837 0.333119 0.54701} H17 2086 -1 1 {} H 0.0 {0.676357 0.315722 0.553163} H18 2087 -1 1 {} H 0.0 {0.653138 0.295988 0.542664} H19 2088 -1 1 {} H 0.0 {0.611916 0.340555 0.531953} H20 2089 -1 1 {} H 0.0 {0.599223 0.334993 0.523714} H21 2090 -1 1 {} H 0.0 {0.625679 0.316692 0.542116} H22 2091 -1 14 {} Si 0.0 {0.504073 0.605314 0.658295} Si1 2092 -1 8 {} O 0.0 {0.498614 0.591414 0.662907} O1 2093 -1 14 {} Si 0.0 {0.496152 0.575817 0.663094} Si2 2094 -1 8 {} O 0.0 {0.488261 0.575589 0.649632} O2 2095 -1 14 {} Si 0.0 {0.476081 0.569731 0.642121} Si3 2096 -1 7 {} N 0.0 {0.479192 0.563269 0.623919} N1 2097 -1 14 {} Si 0.0 {0.490931 0.570417 0.616519} Si4 2098 -1 14 {} Si 0.0 {0.476965 0.549296 0.615379} Si5 2099 -1 7 {} N 0.0 {0.485843 0.58709 0.607579} N2 2100 -1 7 {} N 0.0 {0.50948 0.568467 0.623997} N3 2101 -1 7 {} N 0.0 {0.527617 0.586372 0.644283} N4 2102 -1 7 {} N 0.0 {0.480095 0.534035 0.627523} N5 2103 -1 7 {} N 0.0 {0.458323 0.547606 0.610258} N6 2104 -1 7 {} N 0.0 {0.486694 0.548089 0.598161} N7 2105 -1 8 {} O 0.0 {0.490552 0.613819 0.659626} O3 2106 -1 6 {} C 0.0 {0.524948 0.614849 0.672429} C1 2107 -1 8 {} O 0.0 {0.50859 0.609739 0.672418} O4 2108 -1 7 {} N 0.0 {0.458988 0.581355 0.642972} N8 2109 -1 8 {} O 0.0 {0.476391 0.555903 0.64963} O5 2110 -1 1 {} H 0.0 {0.522549 0.583684 0.652302} H1 2111 -1 1 {} H 0.0 {0.486524 0.574561 0.673816} H2 2112 -1 1 {} H 0.0 {0.477469 0.590216 0.612779} H3 2113 -1 1 {} H 0.0 {0.492501 0.594255 0.611141} H4 2114 -1 1 {} H 0.0 {0.508473 0.571397 0.634211} H5 2115 -1 1 {} H 0.0 {0.513849 0.576916 0.620053} H6 2116 -1 1 {} H 0.0 {0.537504 0.588537 0.647213} H7 2117 -1 1 {} H 0.0 {0.528533 0.578707 0.637649} H8 2118 -1 1 {} H 0.0 {0.481659 0.526473 0.621156} H9 2119 -1 1 {} H 0.0 {0.471572 0.53245 0.633413} H10 2120 -1 1 {} H 0.0 {0.456819 0.55658 0.605772} H11 2121 -1 1 {} H 0.0 {0.460066 0.541207 0.602264} H12 2122 -1 1 {} H 0.0 {0.493779 0.541896 0.602396} H13 2123 -1 1 {} H 0.0 {0.481166 0.540844 0.593325} H14 2124 -1 1 {} H 0.0 {0.48487 0.610487 0.666371} H15 2125 -1 1 {} H 0.0 {0.531487 0.616078 0.663895} H16 2126 -1 1 {} H 0.0 {0.528898 0.607751 0.67911} H17 2127 -1 1 {} H 0.0 {0.524154 0.623846 0.678101} H18 2128 -1 1 {} H 0.0 {0.475845 0.597377 0.641014} H19 2129 -1 1 {} H 0.0 {0.453653 0.577552 0.634605} H20 2130 -1 1 {} H 0.0 {0.454656 0.575944 0.650722} H21 2131 -1 1 {} H 0.0 {0.479467 0.548951 0.643452} H22 2132 -1 14 {} Si 0.0 {0.477683 0.644006 0.588654} Si1 2133 -1 8 {} O 0.0 {0.474279 0.658106 0.593358} O1 2134 -1 14 {} Si 0.0 {0.482232 0.671502 0.595873} Si2 2135 -1 8 {} O 0.0 {0.495873 0.66633 0.602565} O2 2136 -1 14 {} Si 0.0 {0.505553 0.655105 0.597505} Si3 2137 -1 7 {} N 0.0 {0.510597 0.643055 0.612489} N1 2138 -1 14 {} Si 0.0 {0.525357 0.632199 0.606427} Si4 2139 -1 14 {} Si 0.0 {0.50881 0.62888 0.62672} Si5 2140 -1 7 {} N 0.0 {0.534066 0.61847 0.618132} N2 2141 -1 7 {} N 0.0 {0.537988 0.642836 0.602647} N3 2142 -1 7 {} N 0.0 {0.520477 0.622224 0.589445} N4 2143 -1 7 {} N 0.0 {0.5204 0.638144 0.639632} N5 2144 -1 7 {} N 0.0 {0.491818 0.635022 0.633073} N6 2145 -1 7 {} N 0.0 {0.503078 0.615024 0.614364} N7 2146 -1 8 {} O 0.0 {0.477947 0.631242 0.606427} O3 2147 -1 6 {} C 0.0 {0.478553 0.639034 0.565458} C1 2148 -1 8 {} O 0.0 {0.467732 0.645246 0.577213} O4 2149 -1 7 {} N 0.0 {0.520939 0.661746 0.591306} N8 2150 -1 8 {} O 0.0 {0.497386 0.64523 0.581069} O5 2151 -1 1 {} H 0.0 {0.644367 0.654936 0.639731} H1 2152 -1 1 {} H 0.0 {0.635451 0.678086 0.706902} H2 2153 -1 1 {} H 0.0 {0.52568 0.613224 0.620879} H3 2154 -1 1 {} H 0.0 {0.540396 0.614496 0.611435} H4 2155 -1 1 {} H 0.0 {0.546997 0.639657 0.605202} H5 2156 -1 1 {} H 0.0 {0.53633 0.651382 0.608238} H6 2157 -1 1 {} H 0.0 {0.528961 0.616652 0.587964} H7 2158 -1 1 {} H 0.0 {0.521682 0.630042 0.582872} H8 2159 -1 1 {} H 0.0 {0.522205 0.62929 0.644396} H9 2160 -1 1 {} H 0.0 {0.527732 0.640294 0.633002} H10 2161 -1 1 {} H 0.0 {0.485124 0.627308 0.631714} H11 2162 -1 1 {} H 0.0 {0.494838 0.634379 0.642804} H12 2163 -1 1 {} H 0.0 {0.501149 0.621162 0.606674} H13 2164 -1 1 {} H 0.0 {0.49475 0.611759 0.619255} H14 2165 -1 1 {} H 0.0 {0.470671 0.6318 0.613926} H15 2166 -1 1 {} H 0.0 {0.487639 0.634159 0.5667} H16 2167 -1 1 {} H 0.0 {0.479972 0.647894 0.559246} H17 2168 -1 1 {} H 0.0 {0.472719 0.630856 0.561035} H18 2169 -1 1 {} H 0.0 {0.458388 0.653293 0.566007} H19 2170 -1 1 {} H 0.0 {0.523311 0.65711 0.582157} H20 2171 -1 1 {} H 0.0 {0.518812 0.671081 0.587559} H21 2172 -1 1 {} H 0.0 {0.502178 0.63675 0.582259} H22 2173 -1 14 {} Si 0.0 {0.585183 0.633831 0.485811} Si1 2174 -1 8 {} O 0.0 {0.582206 0.616473 0.472857} O1 2175 -1 14 {} Si 0.0 {0.577038 0.620801 0.45874} Si2 2176 -1 8 {} O 0.0 {0.585547 0.633571 0.453416} O2 2177 -1 14 {} Si 0.0 {0.59053 0.642881 0.441758} Si3 2178 -1 7 {} N 0.0 {0.60992 0.642333 0.440819} N1 2179 -1 14 {} Si 0.0 {0.614916 0.62682 0.438672} Si4 2180 -1 14 {} Si 0.0 {0.622454 0.650968 0.446643} Si5 2181 -1 7 {} N 0.0 {0.629207 0.625863 0.426319} N2 2182 -1 7 {} N 0.0 {0.602408 0.614727 0.430407} N3 2183 -1 7 {} N 0.0 {0.621114 0.618968 0.455417} N4 2184 -1 7 {} N 0.0 {0.629691 0.66338 0.431787} N5 2185 -1 7 {} N 0.0 {0.614512 0.662588 0.459192} N6 2186 -1 7 {} N 0.0 {0.638821 0.643769 0.453903} N7 2187 -1 8 {} O 0.0 {0.570763 0.630172 0.492363} O3 2188 -1 6 {} C 0.0 {0.587905 0.649604 0.480282} C1 2189 -1 8 {} O 0.0 {0.59371 0.626272 0.496564} O4 2190 -1 7 {} N 0.0 {0.586439 0.661744 0.441933} N8 2191 -1 8 {} O 0.0 {0.580122 0.635104 0.432232} O5 2192 -1 1 {} H 0.0 {0.561942 0.624899 0.461281} H1 2193 -1 1 {} H 0.0 {0.577032 0.608313 0.449608} H2 2194 -1 1 {} H 0.0 {0.631582 0.635264 0.422852} H3 2195 -1 1 {} H 0.0 {0.625351 0.621661 0.41789} H4 2196 -1 1 {} H 0.0 {0.593566 0.620857 0.429131} H5 2197 -1 1 {} H 0.0 {0.600753 0.607557 0.437469} H6 2198 -1 1 {} H 0.0 {0.62048 0.609252 0.452862} H7 2199 -1 1 {} H 0.0 {0.613357 0.620832 0.461456} H8 2200 -1 1 {} H 0.0 {0.63399 0.655856 0.426441} H9 2201 -1 1 {} H 0.0 {0.623597 0.668046 0.425176} H10 2202 -1 1 {} H 0.0 {0.605164 0.661597 0.457154} H11 2203 -1 1 {} H 0.0 {0.6173 0.671409 0.454473} H12 2204 -1 1 {} H 0.0 {0.635933 0.636413 0.459606} H13 2205 -1 1 {} H 0.0 {0.643809 0.638984 0.446248} H14 2206 -1 1 {} H 0.0 {0.56694 0.62219 0.487159} H15 2207 -1 1 {} H 0.0 {0.595429 0.648561 0.4734} H16 2208 -1 1 {} H 0.0 {0.593907 0.659552 0.493186} H17 2209 -1 1 {} H 0.0 {0.579336 0.654047 0.475984} H18 2210 -1 1 {} H 0.0 {0.59539 0.617204 0.49506} H19 2211 -1 1 {} H 0.0 {0.578404 0.662031 0.435559} H20 2212 -1 1 {} H 0.0 {0.582766 0.662754 0.45166} H21 2213 -1 1 {} H 0.0 {0.571343 0.639787 0.432368} H22 2214 -1 14 {} Si 0.0 {0.669239 0.646533 0.567477} Si1 2215 -1 8 {} O 0.0 {0.659717 0.648701 0.580163} O1 2216 -1 14 {} Si 0.0 {0.343169 0.603562 0.404658} Si2 2217 -1 8 {} O 0.0 {0.356869 0.601813 0.412047} O2 2218 -1 14 {} Si 0.0 {0.370204 0.595168 0.416696} Si3 2219 -1 7 {} N 0.0 {0.379805 0.590996 0.400034} N1 2220 -1 14 {} Si 0.0 {0.38596 0.57764 0.393954} Si4 2221 -1 14 {} Si 0.0 {0.384866 0.604606 0.392951} Si5 2222 -1 7 {} N 0.0 {0.379682 0.562937 0.405874} N2 2223 -1 7 {} N 0.0 {0.405654 0.57569 0.393438} N3 2224 -1 7 {} N 0.0 {0.379634 0.573683 0.376113} N4 2225 -1 7 {} N 0.0 {0.389357 0.603631 0.37301} N5 2226 -1 7 {} N 0.0 {0.370408 0.62075 0.394612} N6 2227 -1 7 {} N 0.0 {0.400462 0.612575 0.401121} N7 2228 -1 8 {} O 0.0 {0.669168 0.665992 0.554414} O3 2229 -1 6 {} C 0.0 {0.665828 0.649151 0.551188} C1 2230 -1 8 {} O 0.0 {0.682385 0.648137 0.575874} O4 2231 -1 7 {} N 0.0 {0.369354 0.580143 0.429202} N8 2232 -1 8 {} O 0.0 {0.377466 0.608618 0.42159} O5 2233 -1 1 {} H 0.0 {0.332895 0.592353 0.41211} H1 2234 -1 1 {} H 0.0 {0.655605 0.658084 0.57926} H2 2235 -1 1 {} H 0.0 {0.381358 0.56841 0.41432} H3 2236 -1 1 {} H 0.0 {0.387228 0.55574 0.406867} H4 2237 -1 1 {} H 0.0 {0.406169 0.569472 0.402066} H5 2238 -1 1 {} H 0.0 {0.408671 0.584846 0.396735} H6 2239 -1 1 {} H 0.0 {0.379869 0.563326 0.375427} H7 2240 -1 1 {} H 0.0 {0.369825 0.576524 0.378068} H8 2241 -1 1 {} H 0.0 {0.399705 0.604861 0.371713} H9 2242 -1 1 {} H 0.0 {0.388403 0.593512 0.373278} H10 2243 -1 1 {} H 0.0 {0.367329 0.618644 0.40452} H11 2244 -1 1 {} H 0.0 {0.37592 0.629661 0.393999} H12 2245 -1 1 {} H 0.0 {0.405182 0.603972 0.40367} H13 2246 -1 1 {} H 0.0 {0.40582 0.615774 0.393151} H14 2247 -1 1 {} H 0.0 {0.66068 0.668556 0.559726} H15 2248 -1 1 {} H 0.0 {0.65587 0.645951 0.549643} H16 2249 -1 1 {} H 0.0 {0.397769 0.742586 0.526074} H17 2250 -1 1 {} H 0.0 {0.673317 0.64408 0.545181} H18 2251 -1 1 {} H 0.0 {0.686655 0.639231 0.575007} H19 2252 -1 1 {} H 0.0 {0.363428 0.582254 0.437121} H20 2253 -1 1 {} H 0.0 {0.378469 0.579251 0.433153} H21 2254 -1 1 {} H 0.0 {0.385082 0.61015 0.414931} H22 2255 -1 14 {} Si 0.0 {0.399353 0.401032 0.617119} Si1 2256 -1 8 {} O 0.0 {0.416109 0.390393 0.623977} O1 2257 -1 14 {} Si 0.0 {0.442443 0.380873 0.603639} Si2 2258 -1 8 {} O 0.0 {0.436801 0.382969 0.618131} O2 2259 -1 14 {} Si 0.0 {0.431164 0.390854 0.629662} Si3 2260 -1 7 {} N 0.0 {0.432325 0.367727 0.675302} N1 2261 -1 14 {} Si 0.0 {0.424224 0.367951 0.661434} Si4 2262 -1 14 {} Si 0.0 {0.428114 0.364149 0.690122} Si5 2263 -1 7 {} N 0.0 {0.405961 0.372517 0.662612} N2 2264 -1 7 {} N 0.0 {0.427393 0.351973 0.653119} N3 2265 -1 7 {} N 0.0 {0.430528 0.382556 0.648166} N4 2266 -1 7 {} N 0.0 {0.42718 0.380178 0.700808} N5 2267 -1 7 {} N 0.0 {0.411233 0.355605 0.691152} N6 2268 -1 7 {} N 0.0 {0.442013 0.354569 0.69931} N7 2269 -1 8 {} O 0.0 {0.403612 0.406838 0.603025} O3 2270 -1 6 {} C 0.0 {0.408262 0.40425 0.631973} C1 2271 -1 8 {} O 0.0 {0.386103 0.391467 0.615449} O4 2272 -1 7 {} N 0.0 {0.441177 0.406988 0.63083} N8 2273 -1 8 {} O 0.0 {0.279692 0.330796 0.560259} O5 2274 -1 1 {} H 0.0 {0.444175 0.402145 0.595981} H1 2275 -1 1 {} H 0.0 {0.451088 0.368231 0.604995} H2 2276 -1 1 {} H 0.0 {0.404277 0.376409 0.653858} H3 2277 -1 1 {} H 0.0 {0.406433 0.379196 0.670705} H4 2278 -1 1 {} H 0.0 {0.436593 0.35069 0.657374} H5 2279 -1 1 {} H 0.0 {0.429665 0.354331 0.643568} H6 2280 -1 1 {} H 0.0 {0.440256 0.379558 0.649499} H7 2281 -1 1 {} H 0.0 {0.430303 0.39077 0.654087} H8 2282 -1 1 {} H 0.0 {0.41841 0.381679 0.704995} H9 2283 -1 1 {} H 0.0 {0.428222 0.387169 0.693923} H10 2284 -1 1 {} H 0.0 {0.413339 0.349004 0.68384} H11 2285 -1 1 {} H 0.0 {0.406806 0.36417 0.687566} H12 2286 -1 1 {} H 0.0 {0.440945 0.356786 0.709097} H13 2287 -1 1 {} H 0.0 {0.450152 0.36033 0.696769} H14 2288 -1 1 {} H 0.0 {0.406908 0.399095 0.596978} H15 2289 -1 1 {} H 0.0 {0.412812 0.413058 0.632282} H16 2290 -1 1 {} H 0.0 {0.402799 0.401113 0.640392} H17 2291 -1 1 {} H 0.0 {0.380374 0.373005 0.610905} H18 2292 -1 1 {} H 0.0 {0.382583 0.389241 0.624837} H19 2293 -1 1 {} H 0.0 {0.442766 0.412099 0.622152} H20 2294 -1 1 {} H 0.0 {0.451053 0.404809 0.633874} H21 2295 -1 1 {} H 0.0 {0.287985 0.32795 0.56506} H22 2296 -1 14 {} Si 0.0 {0.67247 0.55932 0.477137} Si1 2297 -1 8 {} O 0.0 {0.671384 0.542854 0.476014} O1 2298 -1 14 {} Si 0.0 {0.668215 0.530109 0.467704} Si2 2299 -1 8 {} O 0.0 {0.661367 0.518551 0.477014} O2 2300 -1 14 {} Si 0.0 {0.651618 0.516252 0.489317} Si3 2301 -1 7 {} N 0.0 {0.656368 0.505556 0.504982} N1 2302 -1 14 {} Si 0.0 {0.645435 0.498408 0.514837} Si4 2303 -1 14 {} Si 0.0 {0.671546 0.500565 0.506078} Si5 2304 -1 7 {} N 0.0 {0.653496 0.49138 0.531165} N2 2305 -1 7 {} N 0.0 {0.636597 0.483625 0.506747} N3 2306 -1 7 {} N 0.0 {0.631807 0.511968 0.518822} N4 2307 -1 7 {} N 0.0 {0.681418 0.50099 0.487664} N5 2308 -1 7 {} N 0.0 {0.682464 0.508402 0.520378} N6 2309 -1 7 {} N 0.0 {0.674033 0.480984 0.508448} N7 2310 -1 8 {} O 0.0 {0.65959 0.562659 0.486352} O3 2311 -1 6 {} C 0.0 {0.687742 0.568354 0.477304} C1 2312 -1 8 {} O 0.0 {0.680101 0.523013 0.459989} O4 2313 -1 7 {} N 0.0 {0.635459 0.508724 0.482085} N8 2314 -1 8 {} O 0.0 {0.646073 0.531721 0.492644} O5 2315 -1 1 {} H 0.0 {0.672294 0.529331 0.429922} H1 2316 -1 1 {} H 0.0 {0.656712 0.533872 0.457287} H2 2317 -1 1 {} H 0.0 {0.652109 0.481485 0.529815} H3 2318 -1 1 {} H 0.0 {0.663255 0.494007 0.527916} H4 2319 -1 1 {} H 0.0 {0.6285 0.488485 0.502417} H5 2320 -1 1 {} H 0.0 {0.631188 0.479125 0.514363} H6 2321 -1 1 {} H 0.0 {0.637379 0.516987 0.525789} H7 2322 -1 1 {} H 0.0 {0.632494 0.51809 0.510843} H8 2323 -1 1 {} H 0.0 {0.690537 0.505107 0.490251} H9 2324 -1 1 {} H 0.0 {0.675964 0.509657 0.484059} H10 2325 -1 1 {} H 0.0 {0.690082 0.512992 0.515338} H11 2326 -1 1 {} H 0.0 {0.676091 0.516434 0.523014} H12 2327 -1 1 {} H 0.0 {0.664274 0.480066 0.509437} H13 2328 -1 1 {} H 0.0 {0.678707 0.480851 0.517018} H14 2329 -1 1 {} H 0.0 {0.657573 0.572359 0.485613} H15 2330 -1 1 {} H 0.0 {0.690059 0.569244 0.487349} H16 2331 -1 1 {} H 0.0 {0.679671 0.588621 0.45459} H17 2332 -1 1 {} H 0.0 {0.695124 0.563134 0.472624} H18 2333 -1 1 {} H 0.0 {0.744319 0.389968 0.396229} H19 2334 -1 1 {} H 0.0 {0.638086 0.506041 0.472873} H20 2335 -1 1 {} H 0.0 {0.633675 0.500387 0.487347} H21 2336 -1 1 {} H 0.0 {0.652248 0.538317 0.487059} H22 2337 -1 14 {} Si 0.0 {0.353956 0.657373 0.569584} Si1 2338 -1 8 {} O 0.0 {0.355758 0.652843 0.584204} O1 2339 -1 14 {} Si 0.0 {0.350986 0.64631 0.59667} Si2 2340 -1 8 {} O 0.0 {0.338078 0.637984 0.593709} O2 2341 -1 14 {} Si 0.0 {0.439215 0.663279 0.263557} Si3 2342 -1 7 {} N 0.0 {0.428098 0.65263 0.257611} N1 2343 -1 14 {} Si 0.0 {0.427403 0.63763 0.251977} Si4 2344 -1 14 {} Si 0.0 {0.413113 0.660573 0.25715} Si5 2345 -1 7 {} N 0.0 {0.439099 0.63691 0.236092} N2 2346 -1 7 {} N 0.0 {0.409897 0.632547 0.246188} N3 2347 -1 7 {} N 0.0 {0.433849 0.625219 0.267003} N4 2348 -1 7 {} N 0.0 {0.398956 0.651717 0.267452} N5 2349 -1 7 {} N 0.0 {0.417046 0.678565 0.26896} N6 2350 -1 7 {} N 0.0 {0.406719 0.667674 0.239715} N7 2351 -1 8 {} O 0.0 {0.356483 0.637759 0.562641} O3 2352 -1 6 {} C 0.0 {0.364505 0.671371 0.562837} C1 2353 -1 8 {} O 0.0 {0.338402 0.658788 0.570248} O4 2354 -1 7 {} N 0.0 {0.448428 0.668422 0.247} N8 2355 -1 8 {} O 0.0 {0.436028 0.676897 0.2698} O5 2356 -1 1 {} H 0.0 {0.346979 0.658277 0.606912} H1 2357 -1 1 {} H 0.0 {0.361756 0.636649 0.601189} H2 2358 -1 1 {} H 0.0 {0.431802 0.63662 0.229151} H3 2359 -1 1 {} H 0.0 {0.44188 0.64667 0.236768} H4 2360 -1 1 {} H 0.0 {0.411691 0.630223 0.236428} H5 2361 -1 1 {} H 0.0 {0.404941 0.641352 0.24485} H6 2362 -1 1 {} H 0.0 {0.442761 0.620619 0.265313} H7 2363 -1 1 {} H 0.0 {0.435396 0.631628 0.274984} H8 2364 -1 1 {} H 0.0 {0.400956 0.641579 0.266186} H9 2365 -1 1 {} H 0.0 {0.277956 0.298085 0.5321} H10 2366 -1 1 {} H 0.0 {0.413978 0.675466 0.278499} H11 2367 -1 1 {} H 0.0 {0.415644 0.688544 0.269689} H12 2368 -1 1 {} H 0.0 {0.408744 0.677458 0.241925} H13 2369 -1 1 {} H 0.0 {0.396781 0.666433 0.241183} H14 2370 -1 1 {} H 0.0 {0.353269 0.634047 0.571345} H15 2371 -1 1 {} H 0.0 {0.363667 0.672533 0.552169} H16 2372 -1 1 {} H 0.0 {0.374163 0.66747 0.566164} H17 2373 -1 1 {} H 0.0 {0.361775 0.680115 0.568164} H18 2374 -1 1 {} H 0.0 {0.334981 0.66696 0.574748} H19 2375 -1 1 {} H 0.0 {0.441151 0.669635 0.239926} H20 2376 -1 1 {} H 0.0 {0.450433 0.678282 0.248768} H21 2377 -1 1 {} H 0.0 {0.72841 0.339337 0.392055} H22 2378 -1 14 {} Si 0.0 {0.617295 0.513368 0.659763} Si1 2379 -1 8 {} O 0.0 {0.630853 0.520976 0.661866} O1 2380 -1 14 {} Si 0.0 {0.645723 0.5173 0.665154} Si2 2381 -1 8 {} O 0.0 {0.644275 0.506276 0.675685} O2 2382 -1 14 {} Si 0.0 {0.644838 0.494944 0.686883} Si3 2383 -1 7 {} N 0.0 {0.657732 0.486978 0.690593} N1 2384 -1 14 {} Si 0.0 {0.258265 0.442737 0.491683} Si4 2385 -1 14 {} Si 0.0 {0.242791 0.456237 0.499519} Si5 2386 -1 7 {} N 0.0 {0.367718 0.414522 0.300747} N2 2387 -1 7 {} N 0.0 {0.594747 0.559597 0.698188} N3 2388 -1 7 {} N 0.0 {0.359618 0.599885 0.45903} N4 2389 -1 7 {} N 0.0 {0.234543 0.469906 0.498859} N5 2390 -1 7 {} N 0.0 {0.695297 0.342567 0.582431} N6 2391 -1 7 {} N 0.0 {0.598837 0.326558 0.669629} N7 2392 -1 8 {} O 0.0 {0.350441 0.548096 0.486727} O3 2393 -1 6 {} C 0.0 {0.29699 0.578216 0.574552} C1 2394 -1 8 {} O 0.0 {0.623134 0.497134 0.648521} O4 2395 -1 7 {} N 0.0 {0.333235 0.547255 0.493312} N8 2396 -1 8 {} O 0.0 {0.589373 0.474231 0.655908} O5 2397 -1 1 {} H 0.0 {0.653923 0.53129 0.67128} H1 2398 -1 1 {} H 0.0 {0.652657 0.512356 0.654201} H2 2399 -1 1 {} H 0.0 {0.376897 0.419386 0.298495} H3 2400 -1 1 {} H 0.0 {0.369628 0.407534 0.307808} H4 2401 -1 1 {} H 0.0 {0.594798 0.569828 0.700035} H5 2402 -1 1 {} H 0.0 {0.362882 0.594947 0.450558} H6 2403 -1 1 {} H 0.0 {0.354729 0.608952 0.456034} H7 2404 -1 1 {} H 0.0 {0.3522 0.593921 0.462963} H8 2405 -1 1 {} H 0.0 {0.485123 0.290132 0.695591} H9 2406 -1 1 {} H 0.0 {0.234281 0.475058 0.489907} H10 2407 -1 1 {} H 0.0 {0.693024 0.485904 0.576325} H11 2408 -1 1 {} H 0.0 {0.688573 0.348844 0.587334} H12 2409 -1 1 {} H 0.0 {0.567129 0.702904 0.361014} H13 2410 -1 1 {} H 0.0 {0.597893 0.336427 0.671903} H14 2411 -1 1 {} H 0.0 {0.350467 0.542175 0.478907} H15 2412 -1 1 {} H 0.0 {0.300872 0.581519 0.584287} H16 2413 -1 1 {} H 0.0 {0.584836 0.558692 0.695359} H17 2414 -1 1 {} H 0.0 {0.28756 0.580909 0.571549} H18 2415 -1 1 {} H 0.0 {0.631595 0.498526 0.645113} H19 2416 -1 1 {} H 0.0 {0.638768 0.500155 0.69983} H20 2417 -1 1 {} H 0.0 {0.327586 0.550077 0.485366} H21 2418 -1 1 {} H 0.0 {0.586012 0.465638 0.652444} H22 2419 -1 14 {} Si 0.0 {0.43125 0.331687 0.625419} Si1 2420 -1 8 {} O 0.0 {0.424902 0.345553 0.622635} O1 2421 -1 14 {} Si 0.0 {0.415817 0.358331 0.622079} Si2 2422 -1 8 {} O 0.0 {0.41698 0.361564 0.606244} O2 2423 -1 14 {} Si 0.0 {0.420293 0.372257 0.594321} Si3 2424 -1 7 {} N 0.0 {0.507574 0.700875 0.590843} N1 2425 -1 14 {} Si 0.0 {0.528566 0.70433 0.615157} Si4 2426 -1 14 {} Si 0.0 {0.501207 0.693005 0.578107} Si5 2427 -1 7 {} N 0.0 {0.516188 0.715625 0.620491} N2 2428 -1 7 {} N 0.0 {0.540616 0.713112 0.606061} N3 2429 -1 7 {} N 0.0 {0.519628 0.694753 0.599864} N4 2430 -1 7 {} N 0.0 {0.480878 0.685695 0.581192} N5 2431 -1 7 {} N 0.0 {0.568904 0.396012 0.700316} N6 2432 -1 7 {} N 0.0 {0.446005 0.369861 0.57535} N7 2433 -1 8 {} O 0.0 {0.416336 0.317003 0.620969} O3 2434 -1 6 {} C 0.0 {0.440206 0.328265 0.641259} C1 2435 -1 8 {} O 0.0 {0.438531 0.330146 0.61179} O4 2436 -1 7 {} N 0.0 {0.41224 0.383269 0.585833} N8 2437 -1 8 {} O 0.0 {0.430607 0.360511 0.581031} O5 2438 -1 1 {} H 0.0 {0.424423 0.367919 0.627527} H1 2439 -1 1 {} H 0.0 {0.359998 0.32972 0.598836} H2 2440 -1 1 {} H 0.0 {0.508886 0.716643 0.613115} H3 2441 -1 1 {} H 0.0 {0.510826 0.710013 0.627243} H4 2442 -1 1 {} H 0.0 {0.538086 0.722927 0.604494} H5 2443 -1 1 {} H 0.0 {0.541634 0.709294 0.596289} H6 2444 -1 1 {} H 0.0 {0.574327 0.711919 0.572489} H7 2445 -1 1 {} H 0.0 {0.516917 0.685018 0.604731} H8 2446 -1 1 {} H 0.0 {0.471892 0.682759 0.576691} H9 2447 -1 1 {} H 0.0 {0.477973 0.693749 0.587201} H10 2448 -1 1 {} H 0.0 {0.380855 0.701842 0.511754} H11 2449 -1 1 {} H 0.0 {0.573256 0.393847 0.691139} H12 2450 -1 1 {} H 0.0 {0.442909 0.379481 0.573232} H13 2451 -1 1 {} H 0.0 {0.453606 0.370529 0.582197} H14 2452 -1 1 {} H 0.0 {0.420978 0.312336 0.613488} H15 2453 -1 1 {} H 0.0 {0.447849 0.335432 0.641728} H16 2454 -1 1 {} H 0.0 {0.443433 0.31808 0.641509} H17 2455 -1 1 {} H 0.0 {0.434029 0.327733 0.649684} H18 2456 -1 1 {} H 0.0 {0.448042 0.330418 0.61409} H19 2457 -1 1 {} H 0.0 {0.528869 0.693115 0.596558} H20 2458 -1 1 {} H 0.0 {0.415807 0.387234 0.577313} H21 2459 -1 1 {} H 0.0 {0.4249 0.360408 0.572868} H22 2460 -1 14 {} Si 0.0 {0.47203 0.34679 0.661944} Si1 2461 -1 8 {} O 0.0 {0.485603 0.354367 0.657885} O1 2462 -1 14 {} Si 0.0 {0.495555 0.365891 0.663971} Si2 2463 -1 8 {} O 0.0 {0.487841 0.366048 0.683675} O2 2464 -1 14 {} Si 0.0 {0.555542 0.606558 0.701917} Si3 2465 -1 7 {} N 0.0 {0.543835 0.596212 0.703212} N1 2466 -1 14 {} Si 0.0 {0.630087 0.647972 0.331607} Si4 2467 -1 14 {} Si 0.0 {0.511409 0.326722 0.689626} Si5 2468 -1 7 {} N 0.0 {0.608265 0.31212 0.389253} N2 2469 -1 7 {} N 0.0 {0.626653 0.631123 0.322969} N3 2470 -1 7 {} N 0.0 {0.61932 0.649878 0.343684} N4 2471 -1 7 {} N 0.0 {0.507293 0.325373 0.704583} N5 2472 -1 7 {} N 0.0 {0.499683 0.321115 0.676179} N6 2473 -1 7 {} N 0.0 {0.613633 0.323257 0.380659} N7 2474 -1 8 {} O 0.0 {0.456044 0.359937 0.657399} O3 2475 -1 6 {} C 0.0 {0.471547 0.33895 0.678617} C1 2476 -1 8 {} O 0.0 {0.471272 0.337654 0.648822} O4 2477 -1 7 {} N 0.0 {0.528528 0.665718 0.626168} N8 2478 -1 8 {} O 0.0 {0.555905 0.621041 0.708398} O5 2479 -1 1 {} H 0.0 {0.495645 0.303861 0.609832} H1 2480 -1 1 {} H 0.0 {0.528557 0.676398 0.626705} H2 2481 -1 1 {} H 0.0 {0.553105 0.398824 0.297703} H3 2482 -1 1 {} H 0.0 {0.61023 0.313146 0.4} H4 2483 -1 1 {} H 0.0 {0.636314 0.630028 0.320108} H5 2484 -1 1 {} H 0.0 {0.626298 0.626171 0.331812} H6 2485 -1 1 {} H 0.0 {0.45679 0.476675 0.646039} H7 2486 -1 1 {} H 0.0 {0.617365 0.641362 0.3497} H8 2487 -1 1 {} H 0.0 {0.597888 0.311499 0.389545} H9 2488 -1 1 {} H 0.0 {0.499326 0.330263 0.708913} H10 2489 -1 1 {} H 0.0 {0.494473 0.313158 0.678909} H11 2490 -1 1 {} H 0.0 {0.506575 0.317601 0.669873} H12 2491 -1 1 {} H 0.0 {0.479927 0.33339 0.647277} H13 2492 -1 1 {} H 0.0 {0.623801 0.323326 0.378799} H14 2493 -1 1 {} H 0.0 {0.451042 0.361666 0.665081} H15 2494 -1 1 {} H 0.0 {0.475761 0.346141 0.684947} H16 2495 -1 1 {} H 0.0 {0.476715 0.329546 0.678482} H17 2496 -1 1 {} H 0.0 {0.46124 0.337412 0.681194} H18 2497 -1 1 {} H 0.0 {0.478389 0.32559 0.625344} H19 2498 -1 1 {} H 0.0 {0.530236 0.661424 0.635258} H20 2499 -1 1 {} H 0.0 {0.537588 0.663442 0.621424} H21 2500 -1 1 {} H 0.0 {0.562371 0.627481 0.704212} H22 2501 -1 14 {} Si 0.0 {0.511479 0.307906 0.312719} Si1 2502 -1 8 {} O 0.0 {0.499703 0.318497 0.312701} O1 2503 -1 14 {} Si 0.0 {0.486517 0.326536 0.311497} Si2 2504 -1 8 {} O 0.0 {0.477732 0.317928 0.321688} O2 2505 -1 14 {} Si 0.0 {0.470958 0.302471 0.321811} Si3 2506 -1 7 {} N 0.0 {0.454046 0.302991 0.323747} N1 2507 -1 14 {} Si 0.0 {0.439193 0.298408 0.326496} Si4 2508 -1 14 {} Si 0.0 {0.470833 0.346852 0.620492} Si5 2509 -1 7 {} N 0.0 {0.510163 0.359268 0.55475} N2 2510 -1 7 {} N 0.0 {0.428225 0.311304 0.339283} N3 2511 -1 7 {} N 0.0 {0.437453 0.27993 0.334226} N4 2512 -1 7 {} N 0.0 {0.469339 0.327708 0.620333} N5 2513 -1 7 {} N 0.0 {0.459001 0.352599 0.605833} N6 2514 -1 7 {} N 0.0 {0.595308 0.706957 0.31541} N7 2515 -1 8 {} O 0.0 {0.451238 0.314263 0.29644} O3 2516 -1 6 {} C 0.0 {0.517216 0.299385 0.300597} C1 2517 -1 8 {} O 0.0 {0.514098 0.306603 0.328775} O4 2518 -1 7 {} N 0.0 {0.476629 0.289685 0.335625} N8 2519 -1 8 {} O 0.0 {0.478114 0.297492 0.308576} O5 2520 -1 1 {} H 0.0 {0.479907 0.325512 0.296513} H1 2521 -1 1 {} H 0.0 {0.489962 0.341219 0.315305} H2 2522 -1 1 {} H 0.0 {0.517863 0.358885 0.547649} H3 2523 -1 1 {} H 0.0 {0.513697 0.358273 0.564509} H4 2524 -1 1 {} H 0.0 {0.430182 0.309067 0.348698} H5 2525 -1 1 {} H 0.0 {0.435044 0.319305 0.338368} H6 2526 -1 1 {} H 0.0 {0.53892 0.305107 0.551872} H7 2527 -1 1 {} H 0.0 {0.43788 0.282973 0.344102} H8 2528 -1 1 {} H 0.0 {0.330992 0.706128 0.637988} H9 2529 -1 1 {} H 0.0 {0.473476 0.326014 0.610947} H10 2530 -1 1 {} H 0.0 {0.46387 0.349011 0.597572} H11 2531 -1 1 {} H 0.0 {0.451961 0.345769 0.607862} H12 2532 -1 1 {} H 0.0 {0.594526 0.705442 0.325546} H13 2533 -1 1 {} H 0.0 {0.597225 0.717808 0.314353} H14 2534 -1 1 {} H 0.0 {0.454175 0.31173 0.305539} H15 2535 -1 1 {} H 0.0 {0.230494 0.600722 0.358097} H16 2536 -1 1 {} H 0.0 {0.525976 0.302606 0.295155} H17 2537 -1 1 {} H 0.0 {0.512887 0.290536 0.299068} H18 2538 -1 1 {} H 0.0 {0.523941 0.308941 0.330797} H19 2539 -1 1 {} H 0.0 {0.486134 0.288667 0.331723} H20 2540 -1 1 {} H 0.0 {0.476192 0.29443 0.34449} H21 2541 -1 1 {} H 0.0 {0.486621 0.301529 0.307645} H22 2542 -1 14 {} Si 0.0 {0.599872 0.483768 0.516345} Si1 2543 -1 8 {} O 0.0 {0.601394 0.497918 0.50854} O1 2544 -1 14 {} Si 0.0 {0.59496 0.509788 0.501076} Si2 2545 -1 8 {} O 0.0 {0.593286 0.519907 0.512438} O2 2546 -1 14 {} Si 0.0 {0.596406 0.5249 0.526965} Si3 2547 -1 7 {} N 0.0 {0.581486 0.533503 0.536726} N1 2548 -1 14 {} Si 0.0 {0.567598 0.524537 0.535438} Si4 2549 -1 14 {} Si 0.0 {0.581154 0.544955 0.548157} Si5 2550 -1 7 {} N 0.0 {0.569089 0.508017 0.547154} N2 2551 -1 7 {} N 0.0 {0.562625 0.519114 0.517761} N3 2552 -1 7 {} N 0.0 {0.55296 0.534951 0.542921} N4 2553 -1 7 {} N 0.0 {0.600145 0.547483 0.552827} N5 2554 -1 7 {} N 0.0 {0.574462 0.561642 0.540195} N6 2555 -1 7 {} N 0.0 {0.57387 0.540792 0.565495} N7 2556 -1 8 {} O 0.0 {0.611707 0.487575 0.527271} O3 2557 -1 6 {} C 0.0 {0.599865 0.468331 0.505528} C1 2558 -1 8 {} O 0.0 {0.58634 0.487107 0.526347} O4 2559 -1 7 {} N 0.0 {0.611643 0.537118 0.527498} N8 2560 -1 8 {} O 0.0 {0.601055 0.511937 0.534874} O5 2561 -1 1 {} H 0.0 {0.572535 0.51242 0.49644} H1 2562 -1 1 {} H 0.0 {0.604787 0.515816 0.492178} H2 2563 -1 1 {} H 0.0 {0.575118 0.511438 0.554767} H3 2564 -1 1 {} H 0.0 {0.575496 0.50407 0.540448} H4 2565 -1 1 {} H 0.0 {0.57249 0.518658 0.514473} H5 2566 -1 1 {} H 0.0 {0.558862 0.527446 0.514502} H6 2567 -1 1 {} H 0.0 {0.545761 0.533268 0.536293} H7 2568 -1 1 {} H 0.0 {0.556328 0.544363 0.540365} H8 2569 -1 1 {} H 0.0 {0.600084 0.557204 0.556556} H9 2570 -1 1 {} H 0.0 {0.599264 0.541567 0.56134} H10 2571 -1 1 {} H 0.0 {0.572074 0.55766 0.530793} H11 2572 -1 1 {} H 0.0 {0.583684 0.566253 0.539026} H12 2573 -1 1 {} H 0.0 {0.569265 0.549468 0.568056} H13 2574 -1 1 {} H 0.0 {0.566722 0.533658 0.562615} H14 2575 -1 1 {} H 0.0 {0.616509 0.495043 0.523513} H15 2576 -1 1 {} H 0.0 {0.602727 0.471761 0.496137} H16 2577 -1 1 {} H 0.0 {0.589259 0.464671 0.505072} H17 2578 -1 1 {} H 0.0 {0.606385 0.461018 0.508787} H18 2579 -1 1 {} H 0.0 {0.58864 0.481176 0.533492} H19 2580 -1 1 {} H 0.0 {0.61078 0.540605 0.537332} H20 2581 -1 1 {} H 0.0 {0.619505 0.530447 0.527392} H21 2582 -1 1 {} H 0.0 {0.619039 0.510524 0.544541} H22 2583 -1 14 {} Si 0.0 {0.428398 0.70111 0.520834} Si1 2584 -1 8 {} O 0.0 {0.436296 0.70509 0.507329} O1 2585 -1 14 {} Si 0.0 {0.448433 0.696876 0.512238} Si2 2586 -1 8 {} O 0.0 {0.439587 0.690698 0.524257} O2 2587 -1 14 {} Si 0.0 {0.45896 0.65498 0.510874} Si3 2588 -1 7 {} N 0.0 {0.465748 0.66644 0.503127} N1 2589 -1 14 {} Si 0.0 {0.448592 0.670994 0.495795} Si4 2590 -1 14 {} Si 0.0 {0.481707 0.663828 0.499889} Si5 2591 -1 7 {} N 0.0 {0.451486 0.674357 0.475745} N2 2592 -1 7 {} N 0.0 {0.43872 0.70806 0.468855} N3 2593 -1 7 {} N 0.0 {0.432981 0.659779 0.499215} N4 2594 -1 7 {} N 0.0 {0.493703 0.673555 0.512771} N5 2595 -1 7 {} N 0.0 {0.487474 0.645663 0.503473} N6 2596 -1 7 {} N 0.0 {0.486645 0.668796 0.48237} N7 2597 -1 8 {} O 0.0 {0.364449 0.708617 0.613776} O3 2598 -1 6 {} C 0.0 {0.427043 0.669759 0.567784} C1 2599 -1 8 {} O 0.0 {0.41087 0.705637 0.53565} O4 2600 -1 7 {} N 0.0 {0.499489 0.620766 0.549329} N8 2601 -1 8 {} O 0.0 {0.533215 0.685788 0.540218} O5 2602 -1 1 {} H 0.0 {0.375557 0.614149 0.488463} H1 2603 -1 1 {} H 0.0 {0.448686 0.683902 0.50367} H2 2604 -1 1 {} H 0.0 {0.462012 0.674205 0.475597} H3 2605 -1 1 {} H 0.0 {0.44849 0.683361 0.472567} H4 2606 -1 1 {} H 0.0 {0.430028 0.701749 0.46963} H5 2607 -1 1 {} H 0.0 {0.435186 0.717442 0.465955} H6 2608 -1 1 {} H 0.0 {0.431321 0.663449 0.508644} H7 2609 -1 1 {} H 0.0 {0.426235 0.665255 0.49373} H8 2610 -1 1 {} H 0.0 {0.499772 0.665996 0.514856} H9 2611 -1 1 {} H 0.0 {0.486976 0.674403 0.520609} H10 2612 -1 1 {} H 0.0 {0.483346 0.644799 0.512682} H11 2613 -1 1 {} H 0.0 {0.482118 0.640283 0.497151} H12 2614 -1 1 {} H 0.0 {0.48082 0.676686 0.480692} H13 2615 -1 1 {} H 0.0 {0.495477 0.672969 0.484976} H14 2616 -1 1 {} H 0.0 {0.555256 0.696173 0.589498} H15 2617 -1 1 {} H 0.0 {0.968972 0.704683 0.37884} H16 2618 -1 1 {} H 0.0 {0.432078 0.6609 0.564478} H17 2619 -1 1 {} H 0.0 {0.976235 0.702514 0.377307} H18 2620 -1 1 {} H 0.0 {0.409897 0.715053 0.53517} H19 2621 -1 1 {} H 0.0 {0.505516 0.614893 0.543942} H20 2622 -1 1 {} H 0.0 {0.490745 0.616257 0.550295} H21 2623 -1 1 {} H 0.0 {0.538053 0.679903 0.533944} H22 2624 -1 14 {} Si 0.0 {0.400015 0.679815 0.326359} Si1 2625 -1 8 {} O 0.0 {0.389705 0.668254 0.324141} O1 2626 -1 14 {} Si 0.0 {0.385982 0.659912 0.31068} Si2 2627 -1 8 {} O 0.0 {0.397853 0.650935 0.30651} O2 2628 -1 14 {} Si 0.0 {0.415568 0.660548 0.302014} Si3 2629 -1 7 {} N 0.0 {0.329533 0.347234 0.329298} N1 2630 -1 14 {} Si 0.0 {0.335456 0.352487 0.343173} Si4 2631 -1 14 {} Si 0.0 {0.315707 0.346004 0.321591} Si5 2632 -1 7 {} N 0.0 {0.326636 0.366397 0.352328} N2 2633 -1 7 {} N 0.0 {0.353051 0.361486 0.341486} N3 2634 -1 7 {} N 0.0 {0.336309 0.339007 0.357678} N4 2635 -1 7 {} N 0.0 {0.30567 0.331301 0.328351} N5 2636 -1 7 {} N 0.0 {0.305516 0.362324 0.322762} N6 2637 -1 7 {} N 0.0 {0.318561 0.342868 0.30274} N7 2638 -1 8 {} O 0.0 {0.669517 0.681859 0.369983} O3 2639 -1 6 {} C 0.0 {0.350637 0.330766 0.33443} C1 2640 -1 8 {} O 0.0 {0.740557 0.49941 0.42479} O4 2641 -1 7 {} N 0.0 {0.424667 0.648604 0.290277} N8 2642 -1 8 {} O 0.0 {0.410068 0.675108 0.299029} O5 2643 -1 1 {} H 0.0 {0.39238 0.677647 0.295317} H1 2644 -1 1 {} H 0.0 {0.372763 0.651972 0.314398} H2 2645 -1 1 {} H 0.0 {0.333183 0.374007 0.354752} H3 2646 -1 1 {} H 0.0 {0.324232 0.361085 0.36044} H4 2647 -1 1 {} H 0.0 {0.354867 0.365646 0.35022} H5 2648 -1 1 {} H 0.0 {0.352348 0.368695 0.334671} H6 2649 -1 1 {} H 0.0 {0.328637 0.342288 0.36312} H7 2650 -1 1 {} H 0.0 {0.343916 0.343434 0.362437} H8 2651 -1 1 {} H 0.0 {0.309513 0.330749 0.337936} H9 2652 -1 1 {} H 0.0 {0.311717 0.32366 0.324716} H10 2653 -1 1 {} H 0.0 {0.312405 0.367446 0.328611} H11 2654 -1 1 {} H 0.0 {0.298368 0.357553 0.327884} H12 2655 -1 1 {} H 0.0 {0.312601 0.335133 0.300024} H13 2656 -1 1 {} H 0.0 {0.327176 0.338247 0.303854} H14 2657 -1 1 {} H 0.0 {0.675422 0.68561 0.37764} H15 2658 -1 1 {} H 0.0 {0.351194 0.339204 0.339723} H16 2659 -1 1 {} H 0.0 {0.34264 0.324478 0.335999} H17 2660 -1 1 {} H 0.0 {0.353139 0.331944 0.324605} H18 2661 -1 1 {} H 0.0 {0.515644 0.280799 0.629512} H19 2662 -1 1 {} H 0.0 {0.418105 0.639983 0.290126} H20 2663 -1 1 {} H 0.0 {0.421975 0.653102 0.281068} H21 2664 -1 1 {} H 0.0 {0.406716 0.679595 0.308627} H22 2665 -1 14 {} Si 0.0 {0.473869 0.648868 0.413711} Si1 2666 -1 8 {} O 0.0 {0.4883 0.656176 0.411094} O1 2667 -1 14 {} Si 0.0 {0.429375 0.312938 0.391373} Si2 2668 -1 8 {} O 0.0 {0.442045 0.317824 0.400971} O2 2669 -1 14 {} Si 0.0 {0.452964 0.328902 0.4029} Si3 2670 -1 7 {} N 0.0 {0.45355 0.333908 0.418895} N1 2671 -1 14 {} Si 0.0 {0.455313 0.344077 0.430899} Si4 2672 -1 14 {} Si 0.0 {0.458108 0.32132 0.427903} Si5 2673 -1 7 {} N 0.0 {0.468386 0.380892 0.471332} N2 2674 -1 7 {} N 0.0 {0.440008 0.350184 0.439772} N3 2675 -1 7 {} N 0.0 {0.472665 0.354094 0.434535} N4 2676 -1 7 {} N 0.0 {0.445923 0.310707 0.439525} N5 2677 -1 7 {} N 0.0 {0.478229 0.318999 0.432583} N6 2678 -1 7 {} N 0.0 {0.463865 0.662988 0.364235} N7 2679 -1 8 {} O 0.0 {0.479247 0.638802 0.424716} O3 2680 -1 6 {} C 0.0 {0.467968 0.640719 0.398202} C1 2681 -1 8 {} O 0.0 {0.465275 0.659899 0.422517} O4 2682 -1 7 {} N 0.0 {0.447773 0.345625 0.391214} N8 2683 -1 8 {} O 0.0 {0.383045 0.672372 0.295626} O5 2684 -1 1 {} H 0.0 {0.42993 0.323484 0.377899} H1 2685 -1 1 {} H 0.0 {0.416943 0.316994 0.397864} H2 2686 -1 1 {} H 0.0 {0.465522 0.377629 0.461497} H3 2687 -1 1 {} H 0.0 {0.459214 0.385118 0.475339} H4 2688 -1 1 {} H 0.0 {0.431678 0.351985 0.433613} H5 2689 -1 1 {} H 0.0 {0.443144 0.360164 0.44236} H6 2690 -1 1 {} H 0.0 {0.47013 0.361853 0.428474} H7 2691 -1 1 {} H 0.0 {0.470562 0.357525 0.444113} H8 2692 -1 1 {} H 0.0 {0.436909 0.313093 0.435676} H9 2693 -1 1 {} H 0.0 {0.448898 0.301792 0.435593} H10 2694 -1 1 {} H 0.0 {0.4792 0.310038 0.426912} H11 2695 -1 1 {} H 0.0 {0.47797 0.316625 0.44248} H12 2696 -1 1 {} H 0.0 {0.470144 0.655708 0.368456} H13 2697 -1 1 {} H 0.0 {0.45836 0.65833 0.356995} H14 2698 -1 1 {} H 0.0 {0.487906 0.636184 0.422339} H15 2699 -1 1 {} H 0.0 {0.474569 0.641346 0.389936} H16 2700 -1 1 {} H 0.0 {0.458317 0.644782 0.395802} H17 2701 -1 1 {} H 0.0 {0.472835 0.625575 0.39992} H18 2702 -1 1 {} H 0.0 {0.472153 0.664938 0.426839} H19 2703 -1 1 {} H 0.0 {0.456975 0.349896 0.389842} H20 2704 -1 1 {} H 0.0 {0.442773 0.351929 0.397806} H21 2705 -1 1 {} H 0.0 {0.699832 0.409585 0.456166} H22 2706 -1 14 {} Si 0.0 {0.524653 0.524599 0.508618} Si1 2707 -1 8 {} O 0.0 {0.51771 0.510471 0.508625} O1 2708 -1 14 {} Si 0.0 {0.513006 0.498184 0.500313} Si2 2709 -1 8 {} O 0.0 {0.507737 0.502194 0.486903} O2 2710 -1 14 {} Si 0.0 {0.49859 0.513633 0.479759} Si3 2711 -1 7 {} N 0.0 {0.486708 0.504979 0.466698} N1 2712 -1 14 {} Si 0.0 {0.488399 0.497833 0.45238} Si4 2713 -1 14 {} Si 0.0 {0.472999 0.499633 0.474343} Si5 2714 -1 7 {} N 0.0 {0.471318 0.493612 0.443324} N2 2715 -1 7 {} N 0.0 {0.501641 0.483326 0.453356} N3 2716 -1 7 {} N 0.0 {0.494438 0.511366 0.439568} N4 2717 -1 7 {} N 0.0 {0.474314 0.501674 0.493308} N5 2718 -1 7 {} N 0.0 {0.459608 0.511528 0.468697} N6 2719 -1 7 {} N 0.0 {0.465873 0.482008 0.472849} N7 2720 -1 8 {} O 0.0 {0.513578 0.534717 0.513668} O3 2721 -1 6 {} C 0.0 {0.537926 0.531508 0.492848} C1 2722 -1 8 {} O 0.0 {0.531082 0.521848 0.523866} O4 2723 -1 7 {} N 0.0 {0.505536 0.527879 0.468317} N8 2724 -1 8 {} O 0.0 {0.493062 0.52161 0.492138} O5 2725 -1 1 {} H 0.0 {0.500553 0.489922 0.508837} H1 2726 -1 1 {} H 0.0 {0.524962 0.487272 0.498316} H2 2727 -1 1 {} H 0.0 {0.464575 0.499396 0.447409} H3 2728 -1 1 {} H 0.0 {0.473069 0.499502 0.435083} H4 2729 -1 1 {} H 0.0 {0.509714 0.489133 0.456286} H5 2730 -1 1 {} H 0.0 {0.497449 0.477172 0.459644} H6 2731 -1 1 {} H 0.0 {0.494193 0.518916 0.446833} H7 2732 -1 1 {} H 0.0 {0.486479 0.512454 0.433395} H8 2733 -1 1 {} H 0.0 {0.464375 0.500432 0.495722} H9 2734 -1 1 {} H 0.0 {0.47714 0.511583 0.49309} H10 2735 -1 1 {} H 0.0 {0.457062 0.512145 0.459315} H11 2736 -1 1 {} H 0.0 {0.465079 0.52007 0.470212} H12 2737 -1 1 {} H 0.0 {0.460289 0.483823 0.46432} H13 2738 -1 1 {} H 0.0 {0.458975 0.479432 0.480016} H14 2739 -1 1 {} H 0.0 {0.516878 0.538984 0.521837} H15 2740 -1 1 {} H 0.0 {0.539469 0.521601 0.488976} H16 2741 -1 1 {} H 0.0 {0.546925 0.535962 0.497374} H17 2742 -1 1 {} H 0.0 {0.532511 0.538024 0.486566} H18 2743 -1 1 {} H 0.0 {0.523208 0.521808 0.529765} H19 2744 -1 1 {} H 0.0 {0.515942 0.526149 0.469127} H20 2745 -1 1 {} H 0.0 {0.503858 0.536479 0.473255} H21 2746 -1 1 {} H 0.0 {0.49943 0.526606 0.497597} H22 2747 -1 14 {} Si 0.0 {0.468858 0.441422 0.463831} Si1 2748 -1 8 {} O 0.0 {0.455518 0.447157 0.459467} O1 2749 -1 14 {} Si 0.0 {0.442028 0.449802 0.452033} Si2 2750 -1 8 {} O 0.0 {0.423417 0.434303 0.463511} O2 2751 -1 14 {} Si 0.0 {0.428327 0.429261 0.477589} Si3 2752 -1 7 {} N 0.0 {0.446904 0.423268 0.480657} N1 2753 -1 14 {} Si 0.0 {0.452802 0.420087 0.496} Si4 2754 -1 14 {} Si 0.0 {0.458343 0.418765 0.470289} Si5 2755 -1 7 {} N 0.0 {0.437851 0.426636 0.507102} N2 2756 -1 7 {} N 0.0 {0.466965 0.429569 0.502519} N3 2757 -1 7 {} N 0.0 {0.451957 0.401404 0.500498} N4 2758 -1 7 {} N 0.0 {0.450747 0.404484 0.458836} N5 2759 -1 7 {} N 0.0 {0.511842 0.405818 0.402477} N6 2760 -1 7 {} N 0.0 {0.474763 0.413013 0.478046} N7 2761 -1 8 {} O 0.0 {0.481596 0.458224 0.464557} O3 2762 -1 6 {} C 0.0 {0.480645 0.452622 0.48097} C1 2763 -1 8 {} O 0.0 {0.472745 0.434927 0.449981} O4 2764 -1 7 {} N 0.0 {0.420073 0.415809 0.484642} N8 2765 -1 8 {} O 0.0 {0.425154 0.44369 0.483218} O5 2766 -1 1 {} H 0.0 {0.442973 0.447466 0.439019} H1 2767 -1 1 {} H 0.0 {0.439137 0.465425 0.453616} H2 2768 -1 1 {} H 0.0 {0.432242 0.431735 0.500141} H3 2769 -1 1 {} H 0.0 {0.44168 0.433655 0.513075} H4 2770 -1 1 {} H 0.0 {0.462237 0.437561 0.506999} H5 2771 -1 1 {} H 0.0 {0.471936 0.424689 0.509807} H6 2772 -1 1 {} H 0.0 {0.461955 0.39863 0.502875} H7 2773 -1 1 {} H 0.0 {0.447006 0.401389 0.50975} H8 2774 -1 1 {} H 0.0 {0.456122 0.406941 0.450202} H9 2775 -1 1 {} H 0.0 {0.43023 0.440177 0.458618} H10 2776 -1 1 {} H 0.0 {0.515588 0.400233 0.4101} H11 2777 -1 1 {} H 0.0 {0.501767 0.405233 0.401422} H12 2778 -1 1 {} H 0.0 {0.472395 0.405104 0.483921} H13 2779 -1 1 {} H 0.0 {0.477396 0.420452 0.484402} H14 2780 -1 1 {} H 0.0 {0.475831 0.466062 0.465249} H15 2781 -1 1 {} H 0.0 {0.490281 0.447782 0.483181} H16 2782 -1 1 {} H 0.0 {0.472141 0.447727 0.485273} H17 2783 -1 1 {} H 0.0 {0.479141 0.462584 0.484674} H18 2784 -1 1 {} H 0.0 {0.479962 0.440584 0.446459} H19 2785 -1 1 {} H 0.0 {0.424384 0.413324 0.493787} H20 2786 -1 1 {} H 0.0 {0.410982 0.418331 0.487859} H21 2787 -1 1 {} H 0.0 {0.41566 0.445705 0.485767} H22 2788 -1 14 {} Si 0.0 {0.550458 0.551288 0.608729} Si1 2789 -1 8 {} O 0.0 {0.539138 0.558616 0.617013} O1 2790 -1 14 {} Si 0.0 {0.525602 0.556966 0.626284} Si2 2791 -1 8 {} O 0.0 {0.53384 0.556666 0.639328} O2 2792 -1 14 {} Si 0.0 {0.541336 0.547654 0.649904} Si3 2793 -1 7 {} N 0.0 {0.539167 0.55442 0.665629} N1 2794 -1 14 {} Si 0.0 {0.545919 0.563957 0.677124} Si4 2795 -1 14 {} Si 0.0 {0.524772 0.552594 0.674303} Si5 2796 -1 7 {} N 0.0 {0.56223 0.554642 0.682478} N2 2797 -1 7 {} N 0.0 {0.481817 0.708731 0.632186} N3 2798 -1 7 {} N 0.0 {0.538621 0.514542 0.644187} N4 2799 -1 7 {} N 0.0 {0.530625 0.563557 0.691548} N5 2800 -1 7 {} N 0.0 {0.510837 0.561609 0.662214} N6 2801 -1 7 {} N 0.0 {0.5185 0.534973 0.678833} N7 2802 -1 8 {} O 0.0 {0.540669 0.548292 0.596614} O3 2803 -1 6 {} C 0.0 {0.560594 0.536339 0.614358} C1 2804 -1 8 {} O 0.0 {0.55731 0.568494 0.601426} O4 2805 -1 7 {} N 0.0 {0.559125 0.540741 0.651312} N8 2806 -1 8 {} O 0.0 {0.529411 0.530498 0.6493} O5 2807 -1 1 {} H 0.0 {0.518765 0.543255 0.623429} H1 2808 -1 1 {} H 0.0 {0.517645 0.601025 0.604398} H2 2809 -1 1 {} H 0.0 {0.565108 0.55109 0.673457} H3 2810 -1 1 {} H 0.0 {0.561386 0.546454 0.688118} H4 2811 -1 1 {} H 0.0 {0.4918 0.705408 0.631208} H5 2812 -1 1 {} H 0.0 {0.482672 0.718307 0.629317} H6 2813 -1 1 {} H 0.0 {0.532209 0.507839 0.640839} H7 2814 -1 1 {} H 0.0 {0.546171 0.516028 0.637434} H8 2815 -1 1 {} H 0.0 {0.537193 0.565517 0.699491} H9 2816 -1 1 {} H 0.0 {0.527342 0.572429 0.688208} H10 2817 -1 1 {} H 0.0 {0.504158 0.55405 0.659803} H11 2818 -1 1 {} H 0.0 {0.515999 0.56146 0.653075} H12 2819 -1 1 {} H 0.0 {0.525964 0.531472 0.684689} H13 2820 -1 1 {} H 0.0 {0.510816 0.537056 0.685512} H14 2821 -1 1 {} H 0.0 {0.53283 0.554354 0.596334} H15 2822 -1 1 {} H 0.0 {0.567116 0.531957 0.60659} H16 2823 -1 1 {} H 0.0 {0.553438 0.529594 0.617803} H17 2824 -1 1 {} H 0.0 {0.566182 0.540216 0.62345} H18 2825 -1 1 {} H 0.0 {0.549924 0.572969 0.597416} H19 2826 -1 1 {} H 0.0 {0.556501 0.531369 0.6481} H20 2827 -1 1 {} H 0.0 {0.563096 0.546506 0.644639} H21 2828 -1 1 {} H 0.0 {0.525426 0.529049 0.657875} H22 2829 -1 14 {} Si 0.0 {0.511505 0.570314 0.426201} Si1 2830 -1 8 {} O 0.0 {0.507229 0.556981 0.433139} O1 2831 -1 14 {} Si 0.0 {0.499157 0.54487 0.43804} Si2 2832 -1 8 {} O 0.0 {0.490889 0.540483 0.424801} O2 2833 -1 14 {} Si 0.0 {0.481311 0.545841 0.413687} Si3 2834 -1 7 {} N 0.0 {0.469473 0.53255 0.405117} N1 2835 -1 14 {} Si 0.0 {0.466536 0.519382 0.414751} Si4 2836 -1 14 {} Si 0.0 {0.468482 0.529537 0.388682} Si5 2837 -1 7 {} N 0.0 {0.476102 0.502563 0.412893} N2 2838 -1 7 {} N 0.0 {0.448457 0.513918 0.413492} N3 2839 -1 7 {} N 0.0 {0.465792 0.526091 0.433534} N4 2840 -1 7 {} N 0.0 {0.453573 0.520008 0.382855} N5 2841 -1 7 {} N 0.0 {0.466741 0.545949 0.379067} N6 2842 -1 7 {} N 0.0 {0.484023 0.520529 0.382334} N7 2843 -1 8 {} O 0.0 {0.493614 0.579575 0.425666} O3 2844 -1 6 {} C 0.0 {0.524141 0.572258 0.412783} C1 2845 -1 8 {} O 0.0 {0.515522 0.576282 0.440667} O4 2846 -1 7 {} N 0.0 {0.491559 0.554717 0.399601} N8 2847 -1 8 {} O 0.0 {0.473138 0.555883 0.423534} O5 2848 -1 1 {} H 0.0 {0.489964 0.548535 0.449582} H1 2849 -1 1 {} H 0.0 {0.510125 0.534675 0.441664} H2 2850 -1 1 {} H 0.0 {0.479734 0.504709 0.403946} H3 2851 -1 1 {} H 0.0 {0.468872 0.495787 0.411361} H4 2852 -1 1 {} H 0.0 {0.447023 0.511722 0.403868} H5 2853 -1 1 {} H 0.0 {0.442928 0.522018 0.41631} H6 2854 -1 1 {} H 0.0 {0.455791 0.527857 0.434239} H7 2855 -1 1 {} H 0.0 {0.470152 0.535615 0.432363} H8 2856 -1 1 {} H 0.0 {0.455099 0.520055 0.372655} H9 2857 -1 1 {} H 0.0 {0.446001 0.526795 0.384026} H10 2858 -1 1 {} H 0.0 {0.47489 0.545396 0.372677} H11 2859 -1 1 {} H 0.0 {0.469374 0.552999 0.385743} H12 2860 -1 1 {} H 0.0 {0.491141 0.527871 0.383745} H13 2861 -1 1 {} H 0.0 {0.482504 0.519077 0.372306} H14 2862 -1 1 {} H 0.0 {0.494856 0.588984 0.421531} H15 2863 -1 1 {} H 0.0 {0.517604 0.576761 0.405804} H16 2864 -1 1 {} H 0.0 {0.52773 0.562276 0.411273} H17 2865 -1 1 {} H 0.0 {0.531116 0.579721 0.416582} H18 2866 -1 1 {} H 0.0 {0.506974 0.577512 0.446466} H19 2867 -1 1 {} H 0.0 {0.492237 0.563846 0.40381} H20 2868 -1 1 {} H 0.0 {0.484565 0.556255 0.392914} H21 2869 -1 1 {} H 0.0 {0.479832 0.561981 0.426983} H22 2870 -1 14 {} Si 0.0 {0.401237 0.588341 0.463714} Si1 2871 -1 8 {} O 0.0 {0.413331 0.595637 0.455529} O1 2872 -1 14 {} Si 0.0 {0.425905 0.600055 0.448932} Si2 2873 -1 8 {} O 0.0 {0.428247 0.591234 0.436527} O2 2874 -1 14 {} Si 0.0 {0.422927 0.586391 0.422769} Si3 2875 -1 7 {} N 0.0 {0.431138 0.570246 0.415117} N1 2876 -1 14 {} Si 0.0 {0.441235 0.566716 0.401994} Si4 2877 -1 14 {} Si 0.0 {0.426583 0.556887 0.423931} Si5 2878 -1 7 {} N 0.0 {0.436492 0.577119 0.386516} N2 2879 -1 7 {} N 0.0 {0.43926 0.549563 0.395245} N3 2880 -1 7 {} N 0.0 {0.459805 0.569965 0.403527} N4 2881 -1 7 {} N 0.0 {0.412412 0.548028 0.416185} N5 2882 -1 7 {} N 0.0 {0.441001 0.544214 0.425182} N6 2883 -1 7 {} N 0.0 {0.422557 0.562235 0.442281} N7 2884 -1 8 {} O 0.0 {0.393305 0.582715 0.450831} O3 2885 -1 6 {} C 0.0 {0.391393 0.596299 0.477159} C1 2886 -1 8 {} O 0.0 {0.410435 0.571941 0.469783} O4 2887 -1 7 {} N 0.0 {0.427292 0.598123 0.40716} N8 2888 -1 8 {} O 0.0 {0.407737 0.585861 0.426734} O5 2889 -1 1 {} H 0.0 {0.438947 0.596831 0.459265} H1 2890 -1 1 {} H 0.0 {0.42299 0.614961 0.445698} H2 2891 -1 1 {} H 0.0 {0.434714 0.570172 0.379794} H3 2892 -1 1 {} H 0.0 {0.427369 0.58106 0.389104} H4 2893 -1 1 {} H 0.0 {0.430451 0.545669 0.398291} H5 2894 -1 1 {} H 0.0 {0.447068 0.543383 0.398447} H6 2895 -1 1 {} H 0.0 {0.461138 0.579959 0.402837} H7 2896 -1 1 {} H 0.0 {0.461759 0.566945 0.413601} H8 2897 -1 1 {} H 0.0 {0.405918 0.548187 0.423864} H9 2898 -1 1 {} H 0.0 {0.41699 0.538374 0.415967} H10 2899 -1 1 {} H 0.0 {0.442191 0.544964 0.43532} H11 2900 -1 1 {} H 0.0 {0.448196 0.54971 0.420731} H12 2901 -1 1 {} H 0.0 {0.413549 0.557328 0.443019} H13 2902 -1 1 {} H 0.0 {0.420235 0.571816 0.441127} H14 2903 -1 1 {} H 0.0 {0.398746 0.581981 0.442692} H15 2904 -1 1 {} H 0.0 {0.387415 0.588642 0.484031} H16 2905 -1 1 {} H 0.0 {0.383731 0.600816 0.470689} H17 2906 -1 1 {} H 0.0 {0.397889 0.603117 0.482547} H18 2907 -1 1 {} H 0.0 {0.417427 0.57082 0.462686} H19 2908 -1 1 {} H 0.0 {0.43709 0.599177 0.409266} H20 2909 -1 1 {} H 0.0 {0.423449 0.606785 0.410856} H21 2910 -1 1 {} H 0.0 {0.405514 0.593649 0.432389} H22 2911 -1 14 {} Si 0.0 {0.411364 0.320796 0.340779} Si1 2912 -1 8 {} O 0.0 {0.412277 0.33666 0.336673} O1 2913 -1 14 {} Si 0.0 {0.420341 0.349399 0.33797} Si2 2914 -1 8 {} O 0.0 {0.416551 0.353556 0.352593} O2 2915 -1 14 {} Si 0.0 {0.41311 0.346693 0.366373} Si3 2916 -1 7 {} N 0.0 {0.37775 0.31048 0.338141} N1 2917 -1 14 {} Si 0.0 {0.36801 0.321083 0.344005} Si4 2918 -1 14 {} Si 0.0 {0.403023 0.34468 0.427362} Si5 2919 -1 7 {} N 0.0 {0.384678 0.567236 0.279892} N2 2920 -1 7 {} N 0.0 {0.357979 0.31301 0.35901} N3 2921 -1 7 {} N 0.0 {0.577722 0.293202 0.556253} N4 2922 -1 7 {} N 0.0 {0.406679 0.331077 0.441331} N5 2923 -1 7 {} N 0.0 {0.400212 0.334511 0.412278} N6 2924 -1 7 {} N 0.0 {0.436989 0.368299 0.414655} N7 2925 -1 8 {} O 0.0 {0.399814 0.32096 0.351429} O3 2926 -1 6 {} C 0.0 {0.408856 0.311614 0.363974} C1 2927 -1 8 {} O 0.0 {0.401784 0.314677 0.322586} O4 2928 -1 7 {} N 0.0 {0.353309 0.421326 0.397774} N8 2929 -1 8 {} O 0.0 {0.436655 0.41157 0.423104} O5 2930 -1 1 {} H 0.0 {0.422587 0.369071 0.318269} H1 2931 -1 1 {} H 0.0 {0.435348 0.346473 0.33883} H2 2932 -1 1 {} H 0.0 {0.376144 0.56223 0.277623} H3 2933 -1 1 {} H 0.0 {0.391237 0.567036 0.271745} H4 2934 -1 1 {} H 0.0 {0.365335 0.312361 0.36588} H5 2935 -1 1 {} H 0.0 {0.35146 0.320152 0.361997} H6 2936 -1 1 {} H 0.0 {0.573844 0.300929 0.550115} H7 2937 -1 1 {} H 0.0 {0.56886 0.287852 0.557967} H8 2938 -1 1 {} H 0.0 {0.414369 0.336138 0.446689} H9 2939 -1 1 {} H 0.0 {0.410719 0.323735 0.434967} H10 2940 -1 1 {} H 0.0 {0.406918 0.337075 0.405757} H11 2941 -1 1 {} H 0.0 {0.390635 0.336664 0.408915} H12 2942 -1 1 {} H 0.0 {0.428054 0.365467 0.419242} H13 2943 -1 1 {} H 0.0 {0.442988 0.359656 0.415152} H14 2944 -1 1 {} H 0.0 {0.3916 0.314138 0.349548} H15 2945 -1 1 {} H 0.0 {0.419441 0.310165 0.364776} H16 2946 -1 1 {} H 0.0 {0.404522 0.302124 0.363599} H17 2947 -1 1 {} H 0.0 {0.406267 0.317768 0.372309} H18 2948 -1 1 {} H 0.0 {0.39248 0.317522 0.323804} H19 2949 -1 1 {} H 0.0 {0.357335 0.427931 0.390941} H20 2950 -1 1 {} H 0.0 {0.348821 0.413902 0.392432} H21 2951 -1 1 {} H 0.0 {0.443272 0.418291 0.421419} H22 2952 -1 14 {} Si 0.0 {0.63249 0.422571 0.601908} Si1 2953 -1 8 {} O 0.0 {0.644941 0.43086 0.599146} O1 2954 -1 14 {} Si 0.0 {0.649804 0.445159 0.595213} Si2 2955 -1 8 {} O 0.0 {0.652484 0.442096 0.580564} O2 2956 -1 14 {} Si 0.0 {0.662026 0.433953 0.571608} Si3 2957 -1 7 {} N 0.0 {0.672721 0.442431 0.557609} N1 2958 -1 14 {} Si 0.0 {0.677024 0.458388 0.557115} Si4 2959 -1 14 {} Si 0.0 {0.684313 0.436709 0.547017} Si5 2960 -1 7 {} N 0.0 {0.694507 0.466151 0.553381} N2 2961 -1 7 {} N 0.0 {0.671126 0.467234 0.573874} N3 2962 -1 7 {} N 0.0 {0.664851 0.465892 0.543729} N4 2963 -1 7 {} N 0.0 {0.683881 0.444248 0.528927} N5 2964 -1 7 {} N 0.0 {0.70154 0.434963 0.554916} N6 2965 -1 7 {} N 0.0 {0.679238 0.418275 0.546063} N7 2966 -1 8 {} O 0.0 {0.62396 0.436824 0.614599} O3 2967 -1 6 {} C 0.0 {0.639195 0.406091 0.607964} C1 2968 -1 8 {} O 0.0 {0.622832 0.425121 0.588876} O4 2969 -1 7 {} N 0.0 {0.705982 0.535657 0.540528} N8 2970 -1 8 {} O 0.0 {0.665479 0.420797 0.58} O5 2971 -1 1 {} H 0.0 {0.626276 0.445824 0.611313} H1 2972 -1 1 {} H 0.0 {0.663586 0.490449 0.584699} H2 2973 -1 1 {} H 0.0 {0.700649 0.461106 0.559297} H3 2974 -1 1 {} H 0.0 {0.691944 0.475241 0.557637} H4 2975 -1 1 {} H 0.0 {0.664789 0.474628 0.570009} H5 2976 -1 1 {} H 0.0 {0.665561 0.459565 0.577001} H6 2977 -1 1 {} H 0.0 {0.65689 0.467454 0.549461} H7 2978 -1 1 {} H 0.0 {0.668529 0.474931 0.542851} H8 2979 -1 1 {} H 0.0 {0.690696 0.451951 0.528401} H9 2980 -1 1 {} H 0.0 {0.674357 0.448398 0.529874} H10 2981 -1 1 {} H 0.0 {0.700155 0.427859 0.56178} H11 2982 -1 1 {} H 0.0 {0.70628 0.430787 0.547213} H12 2983 -1 1 {} H 0.0 {0.669312 0.416336 0.54991} H13 2984 -1 1 {} H 0.0 {0.67811 0.41597 0.53584} H14 2985 -1 1 {} H 0.0 {0.613409 0.434955 0.611224} H15 2986 -1 1 {} H 0.0 {0.647603 0.407592 0.61492} H16 2987 -1 1 {} H 0.0 {0.642246 0.399326 0.599272} H17 2988 -1 1 {} H 0.0 {0.631172 0.401657 0.614352} H18 2989 -1 1 {} H 0.0 {0.613732 0.422149 0.591674} H19 2990 -1 1 {} H 0.0 {0.706984 0.542842 0.548177} H20 2991 -1 1 {} H 0.0 {0.700624 0.527289 0.544442} H21 2992 -1 1 {} H 0.0 {0.679806 0.505895 0.556537} H22 2993 -1 14 {} Si 0.0 {0.594844 0.54592 0.486827} Si1 2994 -1 8 {} O 0.0 {0.607886 0.53773 0.483204} O1 2995 -1 14 {} Si 0.0 {0.620071 0.53281 0.475251} Si2 2996 -1 8 {} O 0.0 {0.622864 0.543404 0.464085} O2 2997 -1 14 {} Si 0.0 {0.621401 0.557936 0.458574} Si3 2998 -1 7 {} N 0.0 {0.634779 0.567025 0.447757} N1 2999 -1 14 {} Si 0.0 {0.6338 0.58297 0.443584} Si4 3000 -1 14 {} Si 0.0 {0.648804 0.558906 0.445525} Si5 3001 -1 7 {} N 0.0 {0.642987 0.594601 0.456262} N2 3002 -1 7 {} N 0.0 {0.614852 0.586977 0.441652} N3 3003 -1 7 {} N 0.0 {0.640394 0.587268 0.425989} N4 3004 -1 7 {} N 0.0 {0.645551 0.538771 0.445389} N5 3005 -1 7 {} N 0.0 {0.658047 0.562259 0.429429} N6 3006 -1 7 {} N 0.0 {0.662928 0.565393 0.458219} N7 3007 -1 8 {} O 0.0 {0.595709 0.574608 0.493464} O3 3008 -1 6 {} C 0.0 {0.584562 0.545388 0.501595} C1 3009 -1 8 {} O 0.0 {0.590176 0.549994 0.472479} O4 3010 -1 7 {} N 0.0 {0.615786 0.573649 0.469746} N8 3011 -1 8 {} O 0.0 {0.609797 0.553907 0.447749} O5 3012 -1 1 {} H 0.0 {0.617418 0.520693 0.46864} H1 3013 -1 1 {} H 0.0 {0.633162 0.532444 0.484801} H2 3014 -1 1 {} H 0.0 {0.64063 0.603548 0.452271} H3 3015 -1 1 {} H 0.0 {0.652093 0.593093 0.45151} H4 3016 -1 1 {} H 0.0 {0.613206 0.591388 0.432484} H5 3017 -1 1 {} H 0.0 {0.610671 0.577789 0.441245} H6 3018 -1 1 {} H 0.0 {0.634696 0.583278 0.418435} H7 3019 -1 1 {} H 0.0 {0.637019 0.596923 0.425644} H8 3020 -1 1 {} H 0.0 {0.637013 0.538986 0.450786} H9 3021 -1 1 {} H 0.0 {0.642132 0.539529 0.435392} H10 3022 -1 1 {} H 0.0 {0.654136 0.556803 0.421486} H11 3023 -1 1 {} H 0.0 {0.655786 0.571686 0.42737} H12 3024 -1 1 {} H 0.0 {0.660843 0.575105 0.459453} H13 3025 -1 1 {} H 0.0 {0.670633 0.564358 0.451547} H14 3026 -1 1 {} H 0.0 {0.597612 0.584078 0.493696} H15 3027 -1 1 {} H 0.0 {0.580251 0.555391 0.502582} H16 3028 -1 1 {} H 0.0 {0.590844 0.542802 0.509798} H17 3029 -1 1 {} H 0.0 {0.578167 0.537404 0.499354} H18 3030 -1 1 {} H 0.0 {0.598341 0.551017 0.467019} H19 3031 -1 1 {} H 0.0 {0.60656 0.575451 0.465681} H20 3032 -1 1 {} H 0.0 {0.6215 0.581434 0.466925} H21 3033 -1 1 {} H 0.0 {0.613121 0.555219 0.43891} H22 3034 -1 14 {} Si 0.0 {0.408028 0.581777 0.563877} Si1 3035 -1 8 {} O 0.0 {0.410354 0.55363 0.556182} O1 3036 -1 14 {} Si 0.0 {0.415726 0.557629 0.584774} Si2 3037 -1 8 {} O 0.0 {0.417099 0.544341 0.57756} O2 3038 -1 14 {} Si 0.0 {0.417521 0.54138 0.562109} Si3 3039 -1 7 {} N 0.0 {0.438324 0.566797 0.529793} N1 3040 -1 14 {} Si 0.0 {0.422745 0.571213 0.529817} Si4 3041 -1 14 {} Si 0.0 {0.457291 0.570882 0.545685} Si5 3042 -1 7 {} N 0.0 {0.414197 0.639249 0.531051} N2 3043 -1 7 {} N 0.0 {0.43387 0.520257 0.447641} N3 3044 -1 7 {} N 0.0 {0.420401 0.572364 0.509414} N4 3045 -1 7 {} N 0.0 {0.49381 0.575282 0.505731} N5 3046 -1 7 {} N 0.0 {0.584475 0.415889 0.491236} N6 3047 -1 7 {} N 0.0 {0.485591 0.582775 0.442612} N7 3048 -1 8 {} O 0.0 {0.403259 0.626702 0.539245} O3 3049 -1 6 {} C 0.0 {0.417344 0.57812 0.577934} C1 3050 -1 8 {} O 0.0 {0.395178 0.590369 0.563742} O4 3051 -1 7 {} N 0.0 {0.43418 0.536281 0.553681} N8 3052 -1 8 {} O 0.0 {0.427156 0.554211 0.608995} O5 3053 -1 1 {} H 0.0 {0.402593 0.558719 0.588419} H1 3054 -1 1 {} H 0.0 {0.423669 0.556027 0.598967} H2 3055 -1 1 {} H 0.0 {0.405329 0.617552 0.536034} H3 3056 -1 1 {} H 0.0 {0.4098 0.648101 0.531213} H4 3057 -1 1 {} H 0.0 {0.42431 0.522509 0.451993} H5 3058 -1 1 {} H 0.0 {0.440121 0.525179 0.454083} H6 3059 -1 1 {} H 0.0 {0.41022 0.568821 0.509056} H7 3060 -1 1 {} H 0.0 {0.425611 0.564058 0.506979} H8 3061 -1 1 {} H 0.0 {0.497263 0.582761 0.511994} H9 3062 -1 1 {} H 0.0 {0.496667 0.578613 0.49625} H10 3063 -1 1 {} H 0.0 {0.587565 0.409749 0.483953} H11 3064 -1 1 {} H 0.0 {0.59141 0.422654 0.494495} H12 3065 -1 1 {} H 0.0 {0.476431 0.586648 0.441604} H13 3066 -1 1 {} H 0.0 {0.484588 0.573611 0.446813} H14 3067 -1 1 {} H 0.0 {0.406077 0.626008 0.548746} H15 3068 -1 1 {} H 0.0 {0.465854 0.540819 0.525861} H16 3069 -1 1 {} H 0.0 {0.428097 0.579548 0.575208} H17 3070 -1 1 {} H 0.0 {0.413063 0.583315 0.586386} H18 3071 -1 1 {} H 0.0 {0.334216 0.642108 0.585889} H19 3072 -1 1 {} H 0.0 {0.435547 0.542825 0.546061} H20 3073 -1 1 {} H 0.0 {0.44057 0.539656 0.560631} H21 3074 -1 1 {} H 0.0 {0.433771 0.567123 0.614449} H22 3075 -1 14 {} Si 0.0 {0.44473 0.595656 0.647887} Si1 3076 -1 8 {} O 0.0 {0.436754 0.596091 0.660781} O1 3077 -1 14 {} Si 0.0 {0.583003 0.516866 0.323562} Si2 3078 -1 8 {} O 0.0 {0.575103 0.489458 0.311754} O2 3079 -1 14 {} Si 0.0 {0.582555 0.490656 0.324915} Si3 3080 -1 7 {} N 0.0 {0.390542 0.515212 0.651831} N1 3081 -1 14 {} Si 0.0 {0.560575 0.484563 0.315038} Si4 3082 -1 14 {} Si 0.0 {0.400518 0.526333 0.655991} Si5 3083 -1 7 {} N 0.0 {0.495718 0.481301 0.318042} N2 3084 -1 7 {} N 0.0 {0.547569 0.494931 0.304352} N3 3085 -1 7 {} N 0.0 {0.55593 0.467484 0.318281} N4 3086 -1 7 {} N 0.0 {0.413706 0.519782 0.669466} N5 3087 -1 7 {} N 0.0 {0.392062 0.543445 0.661734} N6 3088 -1 7 {} N 0.0 {0.626381 0.544097 0.361995} N7 3089 -1 8 {} O 0.0 {0.571513 0.542523 0.326418} O3 3090 -1 6 {} C 0.0 {0.440058 0.601932 0.63259} C1 3091 -1 8 {} O 0.0 {0.59268 0.515455 0.335745} O4 3092 -1 7 {} N 0.0 {0.383176 0.525367 0.61964} N8 3093 -1 8 {} O 0.0 {0.568803 0.493931 0.331677} O5 3094 -1 1 {} H 0.0 {0.578686 0.510283 0.301394} H1 3095 -1 1 {} H 0.0 {0.576507 0.532104 0.325306} H2 3096 -1 1 {} H 0.0 {0.504879 0.476581 0.318907} H3 3097 -1 1 {} H 0.0 {0.488897 0.477028 0.324625} H4 3098 -1 1 {} H 0.0 {0.551543 0.492629 0.295324} H5 3099 -1 1 {} H 0.0 {0.550625 0.504685 0.305876} H6 3100 -1 1 {} H 0.0 {0.558962 0.461696 0.310196} H7 3101 -1 1 {} H 0.0 {0.561674 0.464099 0.325995} H8 3102 -1 1 {} H 0.0 {0.413951 0.509862 0.666531} H9 3103 -1 1 {} H 0.0 {0.407878 0.520938 0.678062} H10 3104 -1 1 {} H 0.0 {0.391795 0.547348 0.652628} H11 3105 -1 1 {} H 0.0 {0.400036 0.548759 0.665285} H12 3106 -1 1 {} H 0.0 {0.449738 0.631757 0.623789} H13 3107 -1 1 {} H 0.0 {0.620777 0.550959 0.357547} H14 3108 -1 1 {} H 0.0 {0.439921 0.589564 0.667247} H15 3109 -1 1 {} H 0.0 {0.446222 0.597733 0.624988} H16 3110 -1 1 {} H 0.0 {0.343464 0.645617 0.628882} H17 3111 -1 1 {} H 0.0 {0.430032 0.602433 0.629724} H18 3112 -1 1 {} H 0.0 {0.599954 0.521736 0.334931} H19 3113 -1 1 {} H 0.0 {0.388943 0.517657 0.616322} H20 3114 -1 1 {} H 0.0 {0.381418 0.522483 0.629176} H21 3115 -1 1 {} H 0.0 {0.570118 0.508668 0.327593} H22 3116 -1 14 {} Si 0.0 {0.409594 0.425089 0.526485} Si1 3117 -1 8 {} O 0.0 {0.395791 0.418771 0.524387} O1 3118 -1 14 {} Si 0.0 {0.38664 0.406556 0.519879} Si2 3119 -1 8 {} O 0.0 {0.372908 0.412704 0.523462} O2 3120 -1 14 {} Si 0.0 {0.360554 0.421692 0.527758} Si3 3121 -1 7 {} N 0.0 {0.348215 0.42458 0.51635} N1 3122 -1 14 {} Si 0.0 {0.333246 0.426188 0.511528} Si4 3123 -1 14 {} Si 0.0 {0.321081 0.450383 0.537446} Si5 3124 -1 7 {} N 0.0 {0.322452 0.432355 0.527766} N2 3125 -1 7 {} N 0.0 {0.327224 0.408827 0.504418} N3 3126 -1 7 {} N 0.0 {0.331108 0.437814 0.497839} N4 3127 -1 7 {} N 0.0 {0.325076 0.467061 0.526541} N5 3128 -1 7 {} N 0.0 {0.424157 0.425225 0.567603} N6 3129 -1 7 {} N 0.0 {0.305255 0.464192 0.560893} N7 3130 -1 8 {} O 0.0 {0.455672 0.396281 0.52709} O3 3131 -1 6 {} C 0.0 {0.424605 0.41897 0.535726} C1 3132 -1 8 {} O 0.0 {0.40926 0.433131 0.51276} O4 3133 -1 7 {} N 0.0 {0.367221 0.439964 0.531496} N8 3134 -1 8 {} O 0.0 {0.357098 0.412287 0.541083} O5 3135 -1 1 {} H 0.0 {0.429863 0.430987 0.56198} H1 3136 -1 1 {} H 0.0 {0.387676 0.40802 0.50436} H2 3137 -1 1 {} H 0.0 {0.322171 0.426556 0.536146} H3 3138 -1 1 {} H 0.0 {0.31306 0.431223 0.524315} H4 3139 -1 1 {} H 0.0 {0.336059 0.405766 0.500409} H5 3140 -1 1 {} H 0.0 {0.326203 0.403306 0.512414} H6 3141 -1 1 {} H 0.0 {0.323011 0.443462 0.500427} H7 3142 -1 1 {} H 0.0 {0.33853 0.444835 0.497529} H8 3143 -1 1 {} H 0.0 {0.315999 0.471488 0.524761} H9 3144 -1 1 {} H 0.0 {0.329985 0.465769 0.517712} H10 3145 -1 1 {} H 0.0 {0.424452 0.42842 0.577229} H11 3146 -1 1 {} H 0.0 {0.44648 0.395422 0.525582} H12 3147 -1 1 {} H 0.0 {0.300472 0.457131 0.566158} H13 3148 -1 1 {} H 0.0 {0.315481 0.462246 0.562696} H14 3149 -1 1 {} H 0.0 {0.45668 0.396246 0.536766} H15 3150 -1 1 {} H 0.0 {0.426855 0.427368 0.542518} H16 3151 -1 1 {} H 0.0 {0.432836 0.41723 0.528081} H17 3152 -1 1 {} H 0.0 {0.421407 0.410302 0.541376} H18 3153 -1 1 {} H 0.0 {0.416535 0.429704 0.507419} H19 3154 -1 1 {} H 0.0 {0.361024 0.44401 0.524595} H20 3155 -1 1 {} H 0.0 {0.376335 0.43937 0.526328} H21 3156 -1 1 {} H 0.0 {0.355071 0.445684 0.565047} H22 3157 -1 14 {} Si 0.0 {0.519871 0.374891 0.45564} Si1 3158 -1 8 {} O 0.0 {0.527131 0.393426 0.425278} O1 3159 -1 14 {} Si 0.0 {0.540945 0.400607 0.425442} Si2 3160 -1 8 {} O 0.0 {0.506765 0.417889 0.478502} O2 3161 -1 14 {} Si 0.0 {0.511174 0.42612 0.491198} Si3 3162 -1 7 {} N 0.0 {0.528122 0.42162 0.499127} N1 3163 -1 14 {} Si 0.0 {0.532848 0.424888 0.514625} Si4 3164 -1 14 {} Si 0.0 {0.539539 0.417038 0.48846} Si5 3165 -1 7 {} N 0.0 {0.551433 0.429745 0.513899} N2 3166 -1 7 {} N 0.0 {0.529121 0.409861 0.525162} N3 3167 -1 7 {} N 0.0 {0.523466 0.439278 0.520874} N4 3168 -1 7 {} N 0.0 {0.548453 0.432851 0.480434} N5 3169 -1 7 {} N 0.0 {0.55406 0.403225 0.493632} N6 3170 -1 7 {} N 0.0 {0.533303 0.406624 0.472414} N7 3171 -1 8 {} O 0.0 {0.533932 0.382177 0.457521} O3 3172 -1 6 {} C 0.0 {0.517519 0.359105 0.449017} C1 3173 -1 8 {} O 0.0 {0.513321 0.388825 0.451862} O4 3174 -1 7 {} N 0.0 {0.499494 0.424377 0.505963} N8 3175 -1 8 {} O 0.0 {0.508887 0.439571 0.483428} O5 3176 -1 1 {} H 0.0 {0.607747 0.448829 0.44414} H1 3177 -1 1 {} H 0.0 {0.539082 0.413005 0.418743} H2 3178 -1 1 {} H 0.0 {0.553115 0.431369 0.504128} H3 3179 -1 1 {} H 0.0 {0.550516 0.438738 0.518744} H4 3180 -1 1 {} H 0.0 {0.526385 0.413513 0.534665} H5 3181 -1 1 {} H 0.0 {0.538349 0.406315 0.526452} H6 3182 -1 1 {} H 0.0 {0.514032 0.437737 0.518228} H7 3183 -1 1 {} H 0.0 {0.528321 0.447467 0.517992} H8 3184 -1 1 {} H 0.0 {0.543977 0.433779 0.471434} H9 3185 -1 1 {} H 0.0 {0.558331 0.429785 0.479145} H10 3186 -1 1 {} H 0.0 {0.55238 0.395378 0.487887} H11 3187 -1 1 {} H 0.0 {0.562445 0.407848 0.489416} H12 3188 -1 1 {} H 0.0 {0.523724 0.408952 0.47302} H13 3189 -1 1 {} H 0.0 {0.538471 0.409941 0.464252} H14 3190 -1 1 {} H 0.0 {0.534158 0.388812 0.464117} H15 3191 -1 1 {} H 0.0 {0.524418 0.35754 0.442128} H16 3192 -1 1 {} H 0.0 {0.527901 0.384115 0.421231} H17 3193 -1 1 {} H 0.0 {0.518322 0.351248 0.456245} H18 3194 -1 1 {} H 0.0 {0.51526 0.391152 0.4425} H19 3195 -1 1 {} H 0.0 {0.490299 0.420989 0.502411} H20 3196 -1 1 {} H 0.0 {0.503772 0.417172 0.512284} H21 3197 -1 1 {} H 0.0 {0.515767 0.44133 0.476279} H22 3198 -1 14 {} Si 0.0 {0.409165 0.482381 0.470665} Si1 3199 -1 8 {} O 0.0 {0.40295 0.494982 0.478164} O1 3200 -1 14 {} Si 0.0 {0.399144 0.505241 0.489868} Si2 3201 -1 8 {} O 0.0 {0.407197 0.500697 0.501879} O2 3202 -1 14 {} Si 0.0 {0.411832 0.488776 0.510839} Si3 3203 -1 7 {} N 0.0 {0.427504 0.495844 0.519865} N1 3204 -1 14 {} Si 0.0 {0.430096 0.496674 0.537183} Si4 3205 -1 14 {} Si 0.0 {0.441979 0.498529 0.511842} Si5 3206 -1 7 {} N 0.0 {0.413571 0.507592 0.544684} N2 3207 -1 7 {} N 0.0 {0.442639 0.503635 0.54442} N3 3208 -1 7 {} N 0.0 {0.428655 0.477651 0.543654} N4 3209 -1 7 {} N 0.0 {0.44112 0.514277 0.501301} N5 3210 -1 7 {} N 0.0 {0.457828 0.501937 0.520599} N6 3211 -1 7 {} N 0.0 {0.444729 0.484819 0.49927} N7 3212 -1 8 {} O 0.0 {0.401501 0.485465 0.457029} O3 3213 -1 6 {} C 0.0 {0.408934 0.465181 0.478075} C1 3214 -1 8 {} O 0.0 {0.425373 0.492915 0.465897} O4 3215 -1 7 {} N 0.0 {0.41654 0.470026 0.508465} N8 3216 -1 8 {} O 0.0 {0.398177 0.488266 0.518263} O5 3217 -1 1 {} H 0.0 {0.384679 0.504136 0.492759} H1 3218 -1 1 {} H 0.0 {0.403154 0.521673 0.487029} H2 3219 -1 1 {} H 0.0 {0.41639 0.50558 0.554581} H3 3220 -1 1 {} H 0.0 {0.417318 0.517171 0.542392} H4 3221 -1 1 {} H 0.0 {0.492153 0.459423 0.504098} H5 3222 -1 1 {} H 0.0 {0.442555 0.513248 0.545103} H6 3223 -1 1 {} H 0.0 {0.425711 0.478604 0.553455} H7 3224 -1 1 {} H 0.0 {0.419843 0.475249 0.539048} H8 3225 -1 1 {} H 0.0 {0.444448 0.509933 0.492416} H9 3226 -1 1 {} H 0.0 {0.431032 0.513111 0.499883} H10 3227 -1 1 {} H 0.0 {0.455689 0.495818 0.52871} H11 3228 -1 1 {} H 0.0 {0.455263 0.511563 0.523563} H12 3229 -1 1 {} H 0.0 {0.438561 0.478457 0.503993} H13 3230 -1 1 {} H 0.0 {0.439159 0.488704 0.491747} H14 3231 -1 1 {} H 0.0 {0.391763 0.484968 0.457617} H15 3232 -1 1 {} H 0.0 {0.417963 0.463243 0.483078} H16 3233 -1 1 {} H 0.0 {0.404953 0.458452 0.471062} H17 3234 -1 1 {} H 0.0 {0.400506 0.46446 0.485005} H18 3235 -1 1 {} H 0.0 {0.421682 0.500605 0.460612} H19 3236 -1 1 {} H 0.0 {0.42407 0.469438 0.514942} H20 3237 -1 1 {} H 0.0 {0.408945 0.465556 0.51393} H21 3238 -1 1 {} H 0.0 {0.39886 0.491934 0.52712} H22 3239 -1 14 {} Si 0.0 {0.574869 0.597764 0.479622} Si1 3240 -1 8 {} O 0.0 {0.560268 0.601287 0.484064} O1 3241 -1 14 {} Si 0.0 {0.544903 0.602149 0.480684} Si2 3242 -1 8 {} O 0.0 {0.541769 0.616388 0.474475} O2 3243 -1 14 {} Si 0.0 {0.547841 0.628089 0.464584} Si3 3244 -1 7 {} N 0.0 {0.530478 0.557961 0.478356} N1 3245 -1 14 {} Si 0.0 {0.517232 0.564978 0.484641} Si4 3246 -1 14 {} Si 0.0 {0.538484 0.558026 0.464629} Si5 3247 -1 7 {} N 0.0 {0.506492 0.551109 0.490633} N2 3248 -1 7 {} N 0.0 {0.494337 0.586804 0.473064} N3 3249 -1 7 {} N 0.0 {0.505866 0.575244 0.470472} N4 3250 -1 7 {} N 0.0 {0.539256 0.576771 0.459474} N5 3251 -1 7 {} N 0.0 {0.530538 0.546582 0.452182} N6 3252 -1 7 {} N 0.0 {0.556919 0.551779 0.465025} N7 3253 -1 8 {} O 0.0 {0.530441 0.59868 0.507118} O3 3254 -1 6 {} C 0.0 {0.539878 0.633071 0.500081} C1 3255 -1 8 {} O 0.0 {0.580416 0.600474 0.494259} O4 3256 -1 7 {} N 0.0 {0.543378 0.647102 0.463895} N8 3257 -1 8 {} O 0.0 {0.585145 0.588579 0.463448} O5 3258 -1 1 {} H 0.0 {0.537239 0.601744 0.495308} H1 3259 -1 1 {} H 0.0 {0.541275 0.590908 0.471692} H2 3260 -1 1 {} H 0.0 {0.498068 0.556956 0.49086} H3 3261 -1 1 {} H 0.0 {0.510451 0.54829 0.499837} H4 3262 -1 1 {} H 0.0 {0.497513 0.59566 0.475536} H5 3263 -1 1 {} H 0.0 {0.487987 0.58849 0.464916} H6 3264 -1 1 {} H 0.0 {0.512973 0.579086 0.464112} H7 3265 -1 1 {} H 0.0 {0.502299 0.56761 0.464632} H8 3266 -1 1 {} H 0.0 {0.545772 0.576979 0.451732} H9 3267 -1 1 {} H 0.0 {0.529421 0.576034 0.455103} H10 3268 -1 1 {} H 0.0 {0.5227 0.543178 0.458062} H11 3269 -1 1 {} H 0.0 {0.525851 0.553351 0.445966} H12 3270 -1 1 {} H 0.0 {0.558126 0.55249 0.474897} H13 3271 -1 1 {} H 0.0 {0.55637 0.54209 0.462443} H14 3272 -1 1 {} H 0.0 {0.53674 0.600804 0.5138} H15 3273 -1 1 {} H 0.0 {0.534384 0.635799 0.491696} H16 3274 -1 1 {} H 0.0 {0.535494 0.626504 0.506634} H17 3275 -1 1 {} H 0.0 {0.550044 0.631388 0.497473} H18 3276 -1 1 {} H 0.0 {0.579692 0.609907 0.496188} H19 3277 -1 1 {} H 0.0 {0.546721 0.650836 0.472167} H20 3278 -1 1 {} H 0.0 {0.532689 0.647631 0.465043} H21 3279 -1 1 {} H 0.0 {0.593373 0.585626 0.465939} H22 3280 -1 14 {} Si 0.0 {0.619927 0.656291 0.497401} Si1 3281 -1 8 {} O 0.0 {0.600922 0.663032 0.501067} O1 3282 -1 14 {} Si 0.0 {0.608866 0.682443 0.496383} Si2 3283 -1 8 {} O 0.0 {0.61961 0.671604 0.493056} O2 3284 -1 14 {} Si 0.0 {0.558589 0.652545 0.530656} Si3 3285 -1 7 {} N 0.0 {0.549997 0.639053 0.52674} N1 3286 -1 14 {} Si 0.0 {0.541799 0.651651 0.51317} Si4 3287 -1 14 {} Si 0.0 {0.55037 0.626218 0.536751} Si5 3288 -1 7 {} N 0.0 {0.523289 0.653971 0.517403} N2 3289 -1 7 {} N 0.0 {0.550625 0.666236 0.524539} N3 3290 -1 7 {} N 0.0 {0.544967 0.662952 0.494699} N4 3291 -1 7 {} N 0.0 {0.566475 0.626683 0.547662} N5 3292 -1 7 {} N 0.0 {0.534026 0.62542 0.547132} N6 3293 -1 7 {} N 0.0 {0.549308 0.609337 0.526823} N7 3294 -1 8 {} O 0.0 {0.62781 0.65672 0.510505} O3 3295 -1 6 {} C 0.0 {0.651613 0.637899 0.515646} C1 3296 -1 8 {} O 0.0 {0.622516 0.648678 0.483674} O4 3297 -1 7 {} N 0.0 {0.570539 0.563707 0.587684} N8 3298 -1 8 {} O 0.0 {0.574516 0.647241 0.516429} O5 3299 -1 1 {} H 0.0 {0.606061 0.688956 0.48111} H1 3300 -1 1 {} H 0.0 {0.651153 0.514971 0.538825} H2 3301 -1 1 {} H 0.0 {0.522322 0.648126 0.525421} H3 3302 -1 1 {} H 0.0 {0.523351 0.662941 0.521665} H4 3303 -1 1 {} H 0.0 {0.465508 0.530804 0.576309} H5 3304 -1 1 {} H 0.0 {0.555087 0.670284 0.516259} H6 3305 -1 1 {} H 0.0 {0.552728 0.664013 0.487991} H7 3306 -1 1 {} H 0.0 {0.537475 0.658065 0.49033} H8 3307 -1 1 {} H 0.0 {0.56313 0.622749 0.556289} H9 3308 -1 1 {} H 0.0 {0.567554 0.636173 0.54898} H10 3309 -1 1 {} H 0.0 {0.526598 0.623909 0.540138} H11 3310 -1 1 {} H 0.0 {0.532938 0.634826 0.550216} H12 3311 -1 1 {} H 0.0 {0.557276 0.608798 0.519987} H13 3312 -1 1 {} H 0.0 {0.55166 0.602072 0.533713} H14 3313 -1 1 {} H 0.0 {0.63331 0.664857 0.511818} H15 3314 -1 1 {} H 0.0 {0.646594 0.63226 0.508101} H16 3315 -1 1 {} H 0.0 {0.669415 0.625913 0.514528} H17 3316 -1 1 {} H 0.0 {0.644353 0.641942 0.522066} H18 3317 -1 1 {} H 0.0 {0.619825 0.654347 0.476202} H19 3318 -1 1 {} H 0.0 {0.57974 0.563374 0.592382} H20 3319 -1 1 {} H 0.0 {0.589983 0.602296 0.528082} H21 3320 -1 1 {} H 0.0 {0.570074 0.640392 0.511208} H22 3321 -1 14 {} Si 0.0 {0.475713 0.381709 0.620047} Si1 3322 -1 8 {} O 0.0 {0.491049 0.381976 0.622117} O1 3323 -1 14 {} Si 0.0 {0.503637 0.390898 0.625418} Si2 3324 -1 8 {} O 0.0 {0.500939 0.405547 0.630019} O2 3325 -1 14 {} Si 0.0 {0.467267 0.458106 0.606639} Si3 3326 -1 7 {} N 0.0 {0.470261 0.44203 0.605898} N1 3327 -1 14 {} Si 0.0 {0.359233 0.406023 0.681356} Si4 3328 -1 14 {} Si 0.0 {0.420332 0.469552 0.618842} Si5 3329 -1 7 {} N 0.0 {0.306085 0.526493 0.569412} N2 3330 -1 7 {} N 0.0 {0.505825 0.394895 0.686146} N3 3331 -1 7 {} N 0.0 {0.879798 0.724991 0.614634} N4 3332 -1 7 {} N 0.0 {0.431384 0.483297 0.615221} N5 3333 -1 7 {} N 0.0 {0.432128 0.45217 0.619399} N6 3334 -1 7 {} N 0.0 {0.413531 0.470663 0.635994} N7 3335 -1 8 {} O 0.0 {0.471947 0.398229 0.633806} O3 3336 -1 6 {} C 0.0 {0.465574 0.369099 0.628097} C1 3337 -1 8 {} O 0.0 {0.474456 0.388705 0.606023} O4 3338 -1 7 {} N 0.0 {0.516854 0.472605 0.594231} N8 3339 -1 8 {} O 0.0 {0.541522 0.400134 0.637397} O5 3340 -1 1 {} H 0.0 {0.512297 0.392612 0.613103} H1 3341 -1 1 {} H 0.0 {0.511414 0.384396 0.636506} H2 3342 -1 1 {} H 0.0 {0.315071 0.523403 0.573227} H3 3343 -1 1 {} H 0.0 {0.299538 0.523027 0.576549} H4 3344 -1 1 {} H 0.0 {0.534028 0.404732 0.633496} H5 3345 -1 1 {} H 0.0 {0.368244 0.396587 0.678388} H6 3346 -1 1 {} H 0.0 {0.871854 0.717976 0.612968} H7 3347 -1 1 {} H 0.0 {0.876053 0.733958 0.610064} H8 3348 -1 1 {} H 0.0 {0.439709 0.479699 0.610802} H9 3349 -1 1 {} H 0.0 {0.427147 0.489207 0.608652} H10 3350 -1 1 {} H 0.0 {0.43454 0.454864 0.629286} H11 3351 -1 1 {} H 0.0 {0.43986 0.453418 0.612748} H12 3352 -1 1 {} H 0.0 {0.416338 0.462119 0.639973} H13 3353 -1 1 {} H 0.0 {0.403299 0.468988 0.634577} H14 3354 -1 1 {} H 0.0 {0.48065 0.402669 0.633138} H15 3355 -1 1 {} H 0.0 {0.455209 0.370747 0.626135} H16 3356 -1 1 {} H 0.0 {0.466319 0.36991 0.638333} H17 3357 -1 1 {} H 0.0 {0.470048 0.346384 0.636611} H18 3358 -1 1 {} H 0.0 {0.478653 0.39726 0.604945} H19 3359 -1 1 {} H 0.0 {0.518714 0.462481 0.594198} H20 3360 -1 1 {} H 0.0 {0.509244 0.475049 0.600307} H21 3361 -1 1 {} H 0.0 {0.495414 0.418347 0.644446} H22 3362 -1 14 {} Si 0.0 {0.478236 0.44863 0.673712} Si1 3363 -1 8 {} O 0.0 {0.460212 0.449555 0.662647} O1 3364 -1 14 {} Si 0.0 {0.463415 0.453443 0.646947} Si2 3365 -1 8 {} O 0.0 {0.483665 0.450149 0.643745} O2 3366 -1 14 {} Si 0.0 {0.528423 0.289774 0.5631} Si3 3367 -1 7 {} N 0.0 {0.528604 0.281457 0.576213} N1 3368 -1 14 {} Si 0.0 {0.430915 0.413085 0.265786} Si4 3369 -1 14 {} Si 0.0 {0.374306 0.392269 0.652397} Si5 3370 -1 7 {} N 0.0 {0.352863 0.431974 0.348974} N2 3371 -1 7 {} N 0.0 {0.434715 0.402497 0.281325} N3 3372 -1 7 {} N 0.0 {0.447382 0.413062 0.256719} N4 3373 -1 7 {} N 0.0 {0.384697 0.383578 0.644614} N5 3374 -1 7 {} N 0.0 {0.396733 0.338218 0.652167} N6 3375 -1 7 {} N 0.0 {0.336111 0.389159 0.661076} N7 3376 -1 8 {} O 0.0 {0.477463 0.429051 0.677604} O3 3377 -1 6 {} C 0.0 {0.492734 0.437572 0.676489} C1 3378 -1 8 {} O 0.0 {0.314452 0.334237 0.38708} O4 3379 -1 7 {} N 0.0 {0.33776 0.390769 0.531438} N8 3380 -1 8 {} O 0.0 {0.541428 0.297832 0.5574} O5 3381 -1 1 {} H 0.0 {0.44253 0.304151 0.595599} H1 3382 -1 1 {} H 0.0 {0.372988 0.572857 0.526185} H2 3383 -1 1 {} H 0.0 {0.355143 0.422275 0.349051} H3 3384 -1 1 {} H 0.0 {0.356347 0.434693 0.339641} H4 3385 -1 1 {} H 0.0 {0.426624 0.396311 0.282136} H5 3386 -1 1 {} H 0.0 {0.436121 0.40685 0.290406} H6 3387 -1 1 {} H 0.0 {0.450675 0.404454 0.261045} H7 3388 -1 1 {} H 0.0 {0.451921 0.421334 0.260357} H8 3389 -1 1 {} H 0.0 {0.506534 0.399967 0.246807} H9 3390 -1 1 {} H 0.0 {0.380386 0.374627 0.644203} H10 3391 -1 1 {} H 0.0 {0.399069 0.329561 0.656771} H11 3392 -1 1 {} H 0.0 {0.405218 0.342022 0.647625} H12 3393 -1 1 {} H 0.0 {0.334211 0.509074 0.56787} H13 3394 -1 1 {} H 0.0 {0.324272 0.332202 0.388304} H14 3395 -1 1 {} H 0.0 {0.446073 0.571771 0.685666} H15 3396 -1 1 {} H 0.0 {0.49869 0.442859 0.66933} H16 3397 -1 1 {} H 0.0 {0.478049 0.423824 0.669637} H17 3398 -1 1 {} H 0.0 {0.497581 0.438955 0.685911} H18 3399 -1 1 {} H 0.0 {0.316374 0.344685 0.384009} H19 3400 -1 1 {} H 0.0 {0.328874 0.394296 0.53618} H20 3401 -1 1 {} H 0.0 {0.337524 0.390983 0.521092} H21 3402 -1 1 {} H 0.0 {0.34245 0.431929 0.348503} H22 3403 -1 14 {} Si 0.0 {0.394391 0.594025 0.530113} Si1 3404 -1 8 {} O 0.0 {0.407954 0.596179 0.53755} O1 3405 -1 14 {} Si 0.0 {0.421687 0.59235 0.544728} Si2 3406 -1 8 {} O 0.0 {0.41036 0.565085 0.536902} O2 3407 -1 14 {} Si 0.0 {0.399113 0.562403 0.548369} Si3 3408 -1 7 {} N 0.0 {0.436228 0.599016 0.548478} N1 3409 -1 14 {} Si 0.0 {0.457663 0.575618 0.574031} Si4 3410 -1 14 {} Si 0.0 {0.451003 0.593585 0.554014} Si5 3411 -1 7 {} N 0.0 {0.444941 0.562009 0.540775} N2 3412 -1 7 {} N 0.0 {0.448497 0.562386 0.581148} N3 3413 -1 7 {} N 0.0 {0.515432 0.648343 0.482189} N4 3414 -1 7 {} N 0.0 {0.436698 0.614349 0.546083} N5 3415 -1 7 {} N 0.0 {0.465079 0.606062 0.550869} N6 3416 -1 7 {} N 0.0 {0.448171 0.59326 0.5751} N7 3417 -1 8 {} O 0.0 {0.386085 0.578572 0.539992} O3 3418 -1 6 {} C 0.0 {0.394561 0.594115 0.511066} C1 3419 -1 8 {} O 0.0 {0.385574 0.603074 0.539066} O4 3420 -1 7 {} N 0.0 {0.479537 0.603933 0.634188} N8 3421 -1 8 {} O 0.0 {0.437537 0.577031 0.618132} O5 3422 -1 1 {} H 0.0 {0.3947 0.595142 0.555202} H1 3423 -1 1 {} H 0.0 {0.421987 0.628407 0.511725} H2 3424 -1 1 {} H 0.0 {0.435434 0.548841 0.607981} H3 3425 -1 1 {} H 0.0 {0.483497 0.57594 0.505721} H4 3426 -1 1 {} H 0.0 {0.441753 0.560141 0.573627} H5 3427 -1 1 {} H 0.0 {0.453814 0.553841 0.582575} H6 3428 -1 1 {} H 0.0 {0.50944 0.656261 0.479238} H7 3429 -1 1 {} H 0.0 {0.509309 0.640777 0.483863} H8 3430 -1 1 {} H 0.0 {0.429173 0.618452 0.54079} H9 3431 -1 1 {} H 0.0 {0.436628 0.618865 0.55537} H10 3432 -1 1 {} H 0.0 {0.465602 0.608523 0.54114} H11 3433 -1 1 {} H 0.0 {0.473464 0.599977 0.551044} H12 3434 -1 1 {} H 0.0 {0.443195 0.59079 0.58384} H13 3435 -1 1 {} H 0.0 {0.45567 0.598732 0.578659} H14 3436 -1 1 {} H 0.0 {0.382712 0.584146 0.547865} H15 3437 -1 1 {} H 0.0 {0.39064 0.58468 0.508394} H16 3438 -1 1 {} H 0.0 {0.403654 0.595325 0.506406} H17 3439 -1 1 {} H 0.0 {0.387406 0.601713 0.508848} H18 3440 -1 1 {} H 0.0 {0.386108 0.611929 0.535032} H19 3441 -1 1 {} H 0.0 {0.471943 0.609574 0.630531} H20 3442 -1 1 {} H 0.0 {0.485892 0.609425 0.639665} H21 3443 -1 1 {} H 0.0 {0.430469 0.582657 0.61452} H22 3444 -1 14 {} Si 0.0 {0.424135 0.526488 0.354669} Si1 3445 -1 8 {} O 0.0 {0.434621 0.538057 0.354645} O1 3446 -1 14 {} Si 0.0 {0.440966 0.550702 0.361435} Si2 3447 -1 8 {} O 0.0 {0.431862 0.561715 0.35464} O2 3448 -1 14 {} Si 0.0 {0.418044 0.568089 0.3549} Si3 3449 -1 7 {} N 0.0 {0.408938 0.565772 0.338304} N1 3450 -1 14 {} Si 0.0 {0.392635 0.565442 0.336164} Si4 3451 -1 14 {} Si 0.0 {0.414702 0.565822 0.322848} Si5 3452 -1 7 {} N 0.0 {0.385134 0.582768 0.341086} N2 3453 -1 7 {} N 0.0 {0.386703 0.553534 0.350228} N3 3454 -1 7 {} N 0.0 {0.384206 0.558068 0.319378} N4 3455 -1 7 {} N 0.0 {0.422281 0.583642 0.314166} N5 3456 -1 7 {} N 0.0 {0.395388 0.543139 0.382352} N6 3457 -1 7 {} N 0.0 {0.431459 0.552939 0.324863} N7 3458 -1 8 {} O 0.0 {0.410588 0.534754 0.353992} O3 3459 -1 6 {} C 0.0 {0.426704 0.508355 0.367533} C1 3460 -1 8 {} O 0.0 {0.42504 0.524656 0.338562} O4 3461 -1 7 {} N 0.0 {0.415716 0.587499 0.357661} N8 3462 -1 8 {} O 0.0 {0.411712 0.562595 0.368009} O5 3463 -1 1 {} H 0.0 {0.454633 0.552236 0.354722} H1 3464 -1 1 {} H 0.0 {0.44036 0.550388 0.377892} H2 3465 -1 1 {} H 0.0 {0.381559 0.582229 0.350733} H3 3466 -1 1 {} H 0.0 {0.376398 0.581865 0.335831} H4 3467 -1 1 {} H 0.0 {0.395246 0.548511 0.35127} H5 3468 -1 1 {} H 0.0 {0.384635 0.559068 0.358581} H6 3469 -1 1 {} H 0.0 {0.381956 0.548909 0.323418} H7 3470 -1 1 {} H 0.0 {0.376092 0.563769 0.319334} H8 3471 -1 1 {} H 0.0 {0.429266 0.579983 0.307337} H9 3472 -1 1 {} H 0.0 {0.417119 0.590107 0.319707} H10 3473 -1 1 {} H 0.0 {0.400224 0.536 0.387602} H11 3474 -1 1 {} H 0.0 {0.402073 0.547042 0.374802} H12 3475 -1 1 {} H 0.0 {0.425837 0.543828 0.325786} H13 3476 -1 1 {} H 0.0 {0.432885 0.554961 0.334985} H14 3477 -1 1 {} H 0.0 {0.412073 0.544004 0.3558} H15 3478 -1 1 {} H 0.0 {0.436917 0.507152 0.369366} H16 3479 -1 1 {} H 0.0 {0.423043 0.500615 0.36144} H17 3480 -1 1 {} H 0.0 {0.405987 0.50548 0.372037} H18 3481 -1 1 {} H 0.0 {0.429609 0.516079 0.337647} H19 3482 -1 1 {} H 0.0 {0.411009 0.587871 0.366639} H20 3483 -1 1 {} H 0.0 {0.407422 0.58873 0.351215} H21 3484 -1 1 {} H 0.0 {0.413356 0.568713 0.375711} H22 3485 -1 14 {} Si 0.0 {0.517322 0.50723 0.413188} Si1 3486 -1 8 {} O 0.0 {0.512998 0.498431 0.401109} O1 3487 -1 14 {} Si 0.0 {0.500987 0.492587 0.392248} Si2 3488 -1 8 {} O 0.0 {0.508461 0.484035 0.38125} O2 3489 -1 14 {} Si 0.0 {0.519093 0.472706 0.378661} Si3 3490 -1 7 {} N 0.0 {0.521033 0.46402 0.365161} N1 3491 -1 14 {} Si 0.0 {0.512043 0.455831 0.354308} Si4 3492 -1 14 {} Si 0.0 {0.53897 0.461305 0.35648} Si5 3493 -1 7 {} N 0.0 {0.492075 0.459683 0.35523} N2 3494 -1 7 {} N 0.0 {0.511052 0.437047 0.357613} N3 3495 -1 7 {} N 0.0 {0.516219 0.459075 0.336461} N4 3496 -1 7 {} N 0.0 {0.546155 0.474113 0.350192} N5 3497 -1 7 {} N 0.0 {0.54922 0.45757 0.372598} N6 3498 -1 7 {} N 0.0 {0.542131 0.444354 0.346918} N7 3499 -1 8 {} O 0.0 {0.512685 0.495331 0.422662} O3 3500 -1 6 {} C 0.0 {0.514885 0.526103 0.415338} C1 3501 -1 8 {} O 0.0 {0.535384 0.499519 0.412677} O4 3502 -1 7 {} N 0.0 {0.523156 0.491564 0.325852} N8 3503 -1 8 {} O 0.0 {0.52736 0.470844 0.392694} O5 3504 -1 1 {} H 0.0 {0.493444 0.50594 0.387602} H1 3505 -1 1 {} H 0.0 {0.493954 0.483463 0.401866} H2 3506 -1 1 {} H 0.0 {0.48963 0.450478 0.351721} H3 3507 -1 1 {} H 0.0 {0.491174 0.465127 0.345947} H4 3508 -1 1 {} H 0.0 {0.509045 0.436855 0.367606} H5 3509 -1 1 {} H 0.0 {0.502247 0.433815 0.353087} H6 3510 -1 1 {} H 0.0 {0.507485 0.457844 0.331989} H7 3511 -1 1 {} H 0.0 {0.518913 0.468845 0.335043} H8 3512 -1 1 {} H 0.0 {0.492692 0.477268 0.308926} H9 3513 -1 1 {} H 0.0 {0.549175 0.472917 0.340699} H10 3514 -1 1 {} H 0.0 {0.542337 0.460769 0.37932} H11 3515 -1 1 {} H 0.0 {0.555533 0.46531 0.372653} H12 3516 -1 1 {} H 0.0 {0.535354 0.437948 0.350823} H13 3517 -1 1 {} H 0.0 {0.538411 0.445983 0.337628} H14 3518 -1 1 {} H 0.0 {0.505541 0.498403 0.428543} H15 3519 -1 1 {} H 0.0 {0.519067 0.53174 0.406806} H16 3520 -1 1 {} H 0.0 {0.51938 0.530932 0.423821} H17 3521 -1 1 {} H 0.0 {0.504552 0.527885 0.415622} H18 3522 -1 1 {} H 0.0 {0.53323 0.490717 0.417263} H19 3523 -1 1 {} H 0.0 {0.530376 0.493448 0.319475} H20 3524 -1 1 {} H 0.0 {0.525465 0.496384 0.334956} H21 3525 -1 1 {} H 0.0 {0.522304 0.466586 0.40023} H22 3526 -1 14 {} Si 0.0 {0.405869 0.43068 0.564614} Si1 3527 -1 8 {} O 0.0 {0.400441 0.437383 0.551454} O1 3528 -1 14 {} Si 0.0 {0.400804 0.447516 0.540232} Si2 3529 -1 8 {} O 0.0 {0.416458 0.450057 0.54134} O2 3530 -1 14 {} Si 0.0 {0.397 0.474808 0.601575} Si3 3531 -1 7 {} N 0.0 {0.420124 0.450011 0.589966} N1 3532 -1 14 {} Si 0.0 {0.408061 0.452261 0.580148} Si4 3533 -1 14 {} Si 0.0 {0.417901 0.446254 0.605396} Si5 3534 -1 7 {} N 0.0 {0.479748 0.457644 0.5744} N2 3535 -1 7 {} N 0.0 {0.437637 0.452121 0.560101} N3 3536 -1 7 {} N 0.0 {0.524794 0.441455 0.604287} N4 3537 -1 7 {} N 0.0 {0.425939 0.427424 0.607568} N5 3538 -1 7 {} N 0.0 {0.398642 0.440866 0.609906} N6 3539 -1 7 {} N 0.0 {0.440204 0.423612 0.600613} N7 3540 -1 8 {} O 0.0 {0.47827 0.355261 0.551152} O3 3541 -1 6 {} C 0.0 {0.396259 0.419926 0.574728} C1 3542 -1 8 {} O 0.0 {0.387443 0.431048 0.584061} O4 3543 -1 7 {} N 0.0 {0.448464 0.393309 0.593605} N8 3544 -1 8 {} O 0.0 {0.390115 0.487607 0.608179} O5 3545 -1 1 {} H 0.0 {0.382688 0.468787 0.544203} H1 3546 -1 1 {} H 0.0 {0.397429 0.442885 0.527456} H2 3547 -1 1 {} H 0.0 {0.484815 0.464818 0.569115} H3 3548 -1 1 {} H 0.0 {0.486844 0.452098 0.580389} H4 3549 -1 1 {} H 0.0 {0.447764 0.429617 0.604491} H5 3550 -1 1 {} H 0.0 {0.542074 0.482099 0.503902} H6 3551 -1 1 {} H 0.0 {0.498448 0.410828 0.622294} H7 3552 -1 1 {} H 0.0 {0.997737 0.904278 0.474143} H8 3553 -1 1 {} H 0.0 {0.426321 0.425027 0.617421} H9 3554 -1 1 {} H 0.0 {0.417673 0.421357 0.604923} H10 3555 -1 1 {} H 0.0 {0.39835 0.437523 0.619584} H11 3556 -1 1 {} H 0.0 {0.396731 0.433264 0.603105} H12 3557 -1 1 {} H 0.0 {0.389542 0.466867 0.575193} H13 3558 -1 1 {} H 0.0 {0.440076 0.425439 0.5903} H14 3559 -1 1 {} H 0.0 {0.480576 0.359788 0.559891} H15 3560 -1 1 {} H 0.0 {0.410982 0.422712 0.361671} H16 3561 -1 1 {} H 0.0 {0.390802 0.41371 0.568779} H17 3562 -1 1 {} H 0.0 {0.403528 0.414728 0.581134} H18 3563 -1 1 {} H 0.0 {0.380243 0.433587 0.577114} H19 3564 -1 1 {} H 0.0 {0.389114 0.464246 0.607105} H20 3565 -1 1 {} H 0.0 {0.458395 0.394066 0.596993} H21 3566 -1 1 {} H 0.0 {0.380376 0.460751 0.52956} H22 3567 -1 14 {} Si 0.0 {0.360909 0.634449 0.441134} Si1 3568 -1 8 {} O 0.0 {0.348333 0.625134 0.445106} O1 3569 -1 14 {} Si 0.0 {0.337367 0.626636 0.418177} Si2 3570 -1 8 {} O 0.0 {0.321365 0.628563 0.418085} O2 3571 -1 14 {} Si 0.0 {0.349853 0.69729 0.480161} Si3 3572 -1 7 {} N 0.0 {0.33817 0.685912 0.492098} N1 3573 -1 14 {} Si 0.0 {0.330877 0.66838 0.498891} Si4 3574 -1 14 {} Si 0.0 {0.353967 0.677712 0.501274} Si5 3575 -1 7 {} N 0.0 {0.328713 0.665613 0.515391} N2 3576 -1 7 {} N 0.0 {0.323393 0.655288 0.486376} N3 3577 -1 7 {} N 0.0 {0.316771 0.672393 0.507144} N4 3578 -1 7 {} N 0.0 {0.689792 0.393251 0.445976} N5 3579 -1 7 {} N 0.0 {0.362366 0.68841 0.509677} N6 3580 -1 7 {} N 0.0 {0.271911 0.336439 0.522906} N7 3581 -1 8 {} O 0.0 {0.332752 0.606402 0.44428} O3 3582 -1 6 {} C 0.0 {0.367397 0.647757 0.449926} C1 3583 -1 8 {} O 0.0 {0.358097 0.633304 0.421292} O4 3584 -1 7 {} N 0.0 {0.351422 0.691198 0.465115} N8 3585 -1 8 {} O 0.0 {0.356042 0.707326 0.489985} O5 3586 -1 1 {} H 0.0 {0.360098 0.62086 0.480982} H1 3587 -1 1 {} H 0.0 {0.340055 0.615414 0.411156} H2 3588 -1 1 {} H 0.0 {0.673791 0.598198 0.594484} H3 3589 -1 1 {} H 0.0 {0.334467 0.67248 0.520208} H4 3590 -1 1 {} H 0.0 {0.322684 0.662178 0.478629} H5 3591 -1 1 {} H 0.0 {0.332381 0.650323 0.483442} H6 3592 -1 1 {} H 0.0 {0.258739 0.93303 0.00658567} H7 3593 -1 1 {} H 0.0 {0.363042 0.711872 0.484556} H8 3594 -1 1 {} H 0.0 {0.697726 0.386788 0.445481} H9 3595 -1 1 {} H 0.0 {0.689172 0.397076 0.435865} H10 3596 -1 1 {} H 0.0 {0.359673 0.697514 0.505937} H11 3597 -1 1 {} H 0.0 {0.682246 0.58508 0.591838} H12 3598 -1 1 {} H 0.0 {0.265071 0.338017 0.530436} H13 3599 -1 1 {} H 0.0 {0.388088 0.562677 0.28796} H14 3600 -1 1 {} H 0.0 {0.341544 0.603454 0.444555} H15 3601 -1 1 {} H 0.0 {0.367818 0.656084 0.443778} H16 3602 -1 1 {} H 0.0 {0.362376 0.649502 0.458727} H17 3603 -1 1 {} H 0.0 {0.380919 0.671974 0.464691} H18 3604 -1 1 {} H 0.0 {0.362393 0.624786 0.419722} H19 3605 -1 1 {} H 0.0 {0.35075 0.680982 0.46396} H20 3606 -1 1 {} H 0.0 {0.450475 0.637009 0.373383} H21 3607 -1 1 {} H 0.0 {0.310331 0.664759 0.504676} H22 3608 -1 14 {} Si 0.0 {0.371558 0.614986 0.590162} Si1 3609 -1 8 {} O 0.0 {0.368633 0.600338 0.597268} O1 3610 -1 14 {} Si 0.0 {0.366682 0.591737 0.610411} Si2 3611 -1 8 {} O 0.0 {0.378418 0.582272 0.614441} O2 3612 -1 14 {} Si 0.0 {0.381681 0.566789 0.613517} Si3 3613 -1 7 {} N 0.0 {0.364939 0.557671 0.610734} N1 3614 -1 14 {} Si 0.0 {0.350742 0.565708 0.599773} Si4 3615 -1 14 {} Si 0.0 {0.358593 0.544299 0.616696} Si5 3616 -1 7 {} N 0.0 {0.359363 0.573651 0.584096} N2 3617 -1 7 {} N 0.0 {0.338273 0.573654 0.610208} N3 3618 -1 7 {} N 0.0 {0.340403 0.554146 0.585073} N4 3619 -1 7 {} N 0.0 {0.341665 0.539543 0.614839} N5 3620 -1 7 {} N 0.0 {0.370309 0.529142 0.610192} N6 3621 -1 7 {} N 0.0 {0.360954 0.544541 0.635502} N7 3622 -1 8 {} O 0.0 {0.356365 0.616692 0.586712} O3 3623 -1 6 {} C 0.0 {0.384281 0.615231 0.577821} C1 3624 -1 8 {} O 0.0 {0.370242 0.628304 0.605652} O4 3625 -1 7 {} N 0.0 {0.391736 0.557426 0.625613} N8 3626 -1 8 {} O 0.0 {0.387478 0.567446 0.598549} O5 3627 -1 1 {} H 0.0 {0.358195 0.57878 0.605236} H1 3628 -1 1 {} H 0.0 {0.360659 0.597249 0.621179} H2 3629 -1 1 {} H 0.0 {0.350968 0.573378 0.578109} H3 3630 -1 1 {} H 0.0 {0.361609 0.583112 0.586676} H4 3631 -1 1 {} H 0.0 {0.342619 0.570747 0.618993} H5 3632 -1 1 {} H 0.0 {0.329629 0.568 0.608479} H6 3633 -1 1 {} H 0.0 {0.348043 0.553276 0.578834} H7 3634 -1 1 {} H 0.0 {0.33984 0.545694 0.590261} H8 3635 -1 1 {} H 0.0 {0.336283 0.541766 0.623429} H9 3636 -1 1 {} H 0.0 {0.341106 0.529349 0.612993} H10 3637 -1 1 {} H 0.0 {0.373572 0.530814 0.600298} H11 3638 -1 1 {} H 0.0 {0.363047 0.521983 0.609073} H12 3639 -1 1 {} H 0.0 {0.365222 0.553372 0.635344} H13 3640 -1 1 {} H 0.0 {0.368317 0.537817 0.636493} H14 3641 -1 1 {} H 0.0 {0.351821 0.624311 0.591031} H15 3642 -1 1 {} H 0.0 {0.381166 0.621739 0.570045} H16 3643 -1 1 {} H 0.0 {0.386515 0.604916 0.576136} H17 3644 -1 1 {} H 0.0 {0.3979 0.638293 0.591834} H18 3645 -1 1 {} H 0.0 {0.378225 0.634526 0.605395} H19 3646 -1 1 {} H 0.0 {0.387232 0.548473 0.624496} H20 3647 -1 1 {} H 0.0 {0.400941 0.556981 0.621274} H21 3648 -1 1 {} H 0.0 {0.380979 0.564027 0.592195} H22 3649 -1 14 {} Si 0.0 {0.297191 0.369461 0.546373} Si1 3650 -1 8 {} O 0.0 {0.292241 0.357468 0.537215} O1 3651 -1 14 {} Si 0.0 {0.288025 0.342918 0.533804} Si2 3652 -1 8 {} O 0.0 {0.302183 0.335874 0.532737} O2 3653 -1 14 {} Si 0.0 {0.316464 0.330946 0.536784} Si3 3654 -1 7 {} N 0.0 {0.317891 0.319293 0.548505} N1 3655 -1 14 {} Si 0.0 {0.309619 0.306796 0.541736} Si4 3656 -1 14 {} Si 0.0 {0.316123 0.315749 0.564662} Si5 3657 -1 7 {} N 0.0 {0.613017 0.411301 0.676131} N2 3658 -1 7 {} N 0.0 {0.318053 0.291722 0.53441} N3 3659 -1 7 {} N 0.0 {0.694815 0.353895 0.54433} N4 3660 -1 7 {} N 0.0 {0.30492 0.321537 0.574556} N5 3661 -1 7 {} N 0.0 {0.0607408 0.337033 0.303603} N6 3662 -1 7 {} N 0.0 {0.331702 0.310412 0.573337} N7 3663 -1 8 {} O 0.0 {0.30777 0.360008 0.552992} O3 3664 -1 6 {} C 0.0 {0.283866 0.381985 0.558886} C1 3665 -1 8 {} O 0.0 {0.305644 0.377401 0.535183} O4 3666 -1 7 {} N 0.0 {0.652322 0.294894 0.626999} N8 3667 -1 8 {} O 0.0 {0.607448 0.281524 0.595999} O5 3668 -1 1 {} H 0.0 {0.284219 0.336277 0.549588} H1 3669 -1 1 {} H 0.0 {0.337493 0.304718 0.568179} H2 3670 -1 1 {} H 0.0 {0.604139 0.414708 0.679886} H3 3671 -1 1 {} H 0.0 {0.389128 0.471341 0.291116} H4 3672 -1 1 {} H 0.0 {0.322658 0.29541 0.525943} H5 3673 -1 1 {} H 0.0 {0.325916 0.28909 0.540817} H6 3674 -1 1 {} H 0.0 {0.703207 0.354542 0.549867} H7 3675 -1 1 {} H 0.0 {0.688846 0.361408 0.547418} H8 3676 -1 1 {} H 0.0 {0.307338 0.327874 0.582152} H9 3677 -1 1 {} H 0.0 {0.589288 0.367674 0.565667} H10 3678 -1 1 {} H 0.0 {0.70649 0.647208 0.618643} H11 3679 -1 1 {} H 0.0 {0.0607701 0.346408 0.308304} H12 3680 -1 1 {} H 0.0 {0.0530893 0.335654 0.296573} H13 3681 -1 1 {} H 0.0 {0.337536 0.318842 0.573473} H14 3682 -1 1 {} H 0.0 {0.314541 0.357143 0.546577} H15 3683 -1 1 {} H 0.0 {0.27709 0.387632 0.553462} H16 3684 -1 1 {} H 0.0 {0.279151 0.374926 0.56521} H17 3685 -1 1 {} H 0.0 {0.320434 0.349004 0.587228} H18 3686 -1 1 {} H 0.0 {0.306002 0.37188 0.527503} H19 3687 -1 1 {} H 0.0 {0.658497 0.289245 0.632918} H20 3688 -1 1 {} H 0.0 {0.657672 0.303176 0.627166} H21 3689 -1 1 {} H 0.0 {0.238393 0.345907 0.456816} H22 3690 -1 14 {} Si 0.0 {0.32623 0.564898 0.426474} Si1 3691 -1 8 {} O 0.0 {0.34068 0.560003 0.421639} O1 3692 -1 14 {} Si 0.0 {0.3524 0.549684 0.418288} Si2 3693 -1 8 {} O 0.0 {0.354922 0.542273 0.431833} O2 3694 -1 14 {} Si 0.0 {0.358018 0.543792 0.446458} Si3 3695 -1 7 {} N 0.0 {0.375362 0.535752 0.452095} N1 3696 -1 14 {} Si 0.0 {0.380733 0.519816 0.451904} Si4 3697 -1 14 {} Si 0.0 {0.388598 0.545128 0.454357} Si5 3698 -1 7 {} N 0.0 {0.397694 0.513667 0.446412} N2 3699 -1 7 {} N 0.0 {0.368595 0.511784 0.439433} N3 3700 -1 7 {} N 0.0 {0.378299 0.510907 0.46914} N4 3701 -1 7 {} N 0.0 {0.404854 0.536214 0.459228} N5 3702 -1 7 {} N 0.0 {0.390149 0.556303 0.438329} N6 3703 -1 7 {} N 0.0 {0.385562 0.556177 0.469956} N7 3704 -1 8 {} O 0.0 {0.328927 0.566908 0.441715} O3 3705 -1 6 {} C 0.0 {0.31391 0.555105 0.419831} C1 3706 -1 8 {} O 0.0 {0.326333 0.585635 0.419497} O4 3707 -1 7 {} N 0.0 {0.344805 0.537038 0.458857} N8 3708 -1 8 {} O 0.0 {0.357363 0.5594 0.447684} O5 3709 -1 1 {} H 0.0 {0.365533 0.556212 0.41302} H1 3710 -1 1 {} H 0.0 {0.34603 0.537396 0.408636} H2 3711 -1 1 {} H 0.0 {0.394701 0.510106 0.436948} H3 3712 -1 1 {} H 0.0 {0.399006 0.505455 0.452633} H4 3713 -1 1 {} H 0.0 {0.375073 0.508058 0.432128} H5 3714 -1 1 {} H 0.0 {0.364371 0.520116 0.435594} H6 3715 -1 1 {} H 0.0 {0.369192 0.506091 0.467193} H7 3716 -1 1 {} H 0.0 {0.374924 0.518841 0.474517} H8 3717 -1 1 {} H 0.0 {0.40766 0.542528 0.466107} H9 3718 -1 1 {} H 0.0 {0.411211 0.538526 0.451507} H10 3719 -1 1 {} H 0.0 {0.381164 0.554447 0.434431} H11 3720 -1 1 {} H 0.0 {0.389157 0.565966 0.441858} H12 3721 -1 1 {} H 0.0 {0.375889 0.558834 0.469541} H13 3722 -1 1 {} H 0.0 {0.390607 0.564806 0.467212} H14 3723 -1 1 {} H 0.0 {0.338069 0.564026 0.44422} H15 3724 -1 1 {} H 0.0 {0.315954 0.549351 0.411823} H16 3725 -1 1 {} H 0.0 {0.336724 0.508288 0.493801} H17 3726 -1 1 {} H 0.0 {0.305399 0.552062 0.425738} H18 3727 -1 1 {} H 0.0 {0.327855 0.589996 0.428237} H19 3728 -1 1 {} H 0.0 {0.337194 0.542436 0.455467} H20 3729 -1 1 {} H 0.0 {0.342862 0.527444 0.455022} H21 3730 -1 1 {} H 0.0 {0.357613 0.563385 0.439196} H22 3731 -1 14 {} Si 0.0 {0.528242 0.584444 0.307809} Si1 3732 -1 8 {} O 0.0 {0.532602 0.572733 0.297079} O1 3733 -1 14 {} Si 0.0 {0.532125 0.557858 0.292015} Si2 3734 -1 8 {} O 0.0 {0.547143 0.553084 0.292445} O2 3735 -1 14 {} Si 0.0 {0.557401 0.544563 0.300471} Si3 3736 -1 7 {} N 0.0 {0.568418 0.550678 0.309953} N1 3737 -1 14 {} Si 0.0 {0.57093 0.566899 0.309966} Si4 3738 -1 14 {} Si 0.0 {0.446472 0.621371 0.644583} Si5 3739 -1 7 {} N 0.0 {0.591373 0.581037 0.297337} N2 3740 -1 7 {} N 0.0 {0.587516 0.570696 0.307836} N3 3741 -1 7 {} N 0.0 {0.4557 0.437071 0.635007} N4 3742 -1 7 {} N 0.0 {0.456808 0.628241 0.630404} N5 3743 -1 7 {} N 0.0 {0.701351 0.508012 0.614351} N6 3744 -1 7 {} N 0.0 {0.444516 0.631344 0.656949} N7 3745 -1 8 {} O 0.0 {0.524413 0.59581 0.29807} O3 3746 -1 6 {} C 0.0 {0.535256 0.587867 0.325114} C1 3747 -1 8 {} O 0.0 {0.480817 0.509905 0.354249} O4 3748 -1 7 {} N 0.0 {0.554816 0.526083 0.305553} N8 3749 -1 8 {} O 0.0 {0.55772 0.575512 0.311106} O5 3750 -1 1 {} H 0.0 {0.528785 0.55726 0.278835} H1 3751 -1 1 {} H 0.0 {0.522242 0.548357 0.301486} H2 3752 -1 1 {} H 0.0 {0.591553 0.590891 0.299719} H3 3753 -1 1 {} H 0.0 {0.586394 0.580295 0.288521} H4 3754 -1 1 {} H 0.0 {0.592157 0.56103 0.305884} H5 3755 -1 1 {} H 0.0 {0.704031 0.497743 0.615118} H6 3756 -1 1 {} H 0.0 {0.44556 0.435867 0.630974} H7 3757 -1 1 {} H 0.0 {0.455341 0.431795 0.643755} H8 3758 -1 1 {} H 0.0 {0.460858 0.636353 0.634673} H9 3759 -1 1 {} H 0.0 {0.577633 0.548056 0.331634} H10 3760 -1 1 {} H 0.0 {0.705967 0.510517 0.605267} H11 3761 -1 1 {} H 0.0 {0.705991 0.512967 0.62193} H12 3762 -1 1 {} H 0.0 {0.346826 0.642394 0.623678} H13 3763 -1 1 {} H 0.0 {0.444423 0.626847 0.66569} H14 3764 -1 1 {} H 0.0 {0.507533 0.606855 0.308696} H15 3765 -1 1 {} H 0.0 {0.537422 0.598007 0.324837} H16 3766 -1 1 {} H 0.0 {0.545116 0.583195 0.325107} H17 3767 -1 1 {} H 0.0 {0.528962 0.584886 0.33369} H18 3768 -1 1 {} H 0.0 {0.488788 0.505201 0.353684} H19 3769 -1 1 {} H 0.0 {0.545021 0.524927 0.307535} H20 3770 -1 1 {} H 0.0 {0.559102 0.526404 0.314837} H21 3771 -1 1 {} H 0.0 {0.551244 0.572096 0.303878} H22 3772 -1 14 {} Si 0.0 {0.294674 0.667936 0.551435} Si1 3773 -1 8 {} O 0.0 {0.298577 0.68399 0.554324} O1 3774 -1 14 {} Si 0.0 {0.295666 0.697115 0.564011} Si2 3775 -1 8 {} O 0.0 {0.280037 0.694481 0.564528} O2 3776 -1 14 {} Si 0.0 {0.67743 0.597689 0.636755} Si3 3777 -1 7 {} N 0.0 {0.305288 0.631002 0.484503} N1 3778 -1 14 {} Si 0.0 {0.312601 0.641408 0.475693} Si4 3779 -1 14 {} Si 0.0 {0.657662 0.585144 0.634924} Si5 3780 -1 7 {} N 0.0 {0.299742 0.652105 0.464879} N2 3781 -1 7 {} N 0.0 {0.39649 0.732582 0.527055} N3 3782 -1 7 {} N 0.0 {0.324363 0.630802 0.462657} N4 3783 -1 7 {} N 0.0 {0.325285 0.753488 0.603919} N5 3784 -1 7 {} N 0.0 {0.650459 0.58348 0.620053} N6 3785 -1 7 {} N 0.0 {0.662063 0.56677 0.643018} N7 3786 -1 8 {} O 0.0 {0.319515 0.658486 0.541208} O3 3787 -1 6 {} C 0.0 {0.303842 0.646856 0.560686} C1 3788 -1 8 {} O 0.0 {0.279865 0.672646 0.55085} O4 3789 -1 7 {} N 0.0 {0.691187 0.591683 0.62953} N8 3790 -1 8 {} O 0.0 {0.672827 0.603214 0.650476} O5 3791 -1 1 {} H 0.0 {0.060185 0.328622 0.310035} H1 3792 -1 1 {} H 0.0 {0.300338 0.694478 0.576707} H2 3793 -1 1 {} H 0.0 {0.292254 0.645102 0.464503} H3 3794 -1 1 {} H 0.0 {0.303508 0.653961 0.455945} H4 3795 -1 1 {} H 0.0 {0.386172 0.730898 0.52988} H5 3796 -1 1 {} H 0.0 {0.396551 0.729462 0.51729} H6 3797 -1 1 {} H 0.0 {0.320402 0.622002 0.466624} H7 3798 -1 1 {} H 0.0 {0.333396 0.631272 0.467805} H8 3799 -1 1 {} H 0.0 {0.700551 0.532445 0.435965} H9 3800 -1 1 {} H 0.0 {0.327417 0.757786 0.612958} H10 3801 -1 1 {} H 0.0 {0.647993 0.573714 0.617284} H11 3802 -1 1 {} H 0.0 {0.658518 0.585384 0.613676} H12 3803 -1 1 {} H 0.0 {0.657133 0.562102 0.635345} H13 3804 -1 1 {} H 0.0 {0.672294 0.566215 0.640359} H14 3805 -1 1 {} H 0.0 {0.31956 0.659267 0.531649} H15 3806 -1 1 {} H 0.0 {0.295484 0.642278 0.564304} H16 3807 -1 1 {} H 0.0 {0.309478 0.651257 0.567967} H17 3808 -1 1 {} H 0.0 {0.309821 0.639124 0.555546} H18 3809 -1 1 {} H 0.0 {0.27835 0.685175 0.559307} H19 3810 -1 1 {} H 0.0 {0.695234 0.585562 0.636722} H20 3811 -1 1 {} H 0.0 {0.688785 0.585703 0.621524} H21 3812 -1 1 {} H 0.0 {0.666736 0.61035 0.649456} H22 3813 -1 14 {} Si 0.0 {0.395216 0.512491 0.547481} Si1 3814 -1 8 {} O 0.0 {0.385422 0.499505 0.549167} O1 3815 -1 14 {} Si 0.0 {0.367455 0.489293 0.524312} Si2 3816 -1 8 {} O 0.0 {0.357796 0.497358 0.563709} O2 3817 -1 14 {} Si 0.0 {0.360793 0.510501 0.571074} Si3 3818 -1 7 {} N 0.0 {0.359499 0.527614 0.562468} N1 3819 -1 14 {} Si 0.0 {0.347844 0.528506 0.55069} Si4 3820 -1 14 {} Si 0.0 {0.369974 0.541134 0.561676} Si5 3821 -1 7 {} N 0.0 {0.355476 0.536003 0.534415} N2 3822 -1 7 {} N 0.0 {0.331459 0.540261 0.558038} N3 3823 -1 7 {} N 0.0 {0.339303 0.512445 0.545508} N4 3824 -1 7 {} N 0.0 {0.359425 0.556513 0.556223} N5 3825 -1 7 {} N 0.0 {0.374239 0.544377 0.579129} N6 3826 -1 7 {} N 0.0 {0.383756 0.549306 0.548415} N7 3827 -1 8 {} O 0.0 {0.393263 0.52102 0.56021} O3 3828 -1 6 {} C 0.0 {0.367626 0.450823 0.604304} C1 3829 -1 8 {} O 0.0 {0.387812 0.520615 0.536635} O4 3830 -1 7 {} N 0.0 {0.375478 0.511848 0.58117} N8 3831 -1 8 {} O 0.0 {0.33098 0.507326 0.576748} O5 3832 -1 1 {} H 0.0 {0.346182 0.485726 0.581831} H1 3833 -1 1 {} H 0.0 {0.375083 0.496091 0.536523} H2 3834 -1 1 {} H 0.0 {0.348101 0.542298 0.532146} H3 3835 -1 1 {} H 0.0 {0.362022 0.542377 0.53894} H4 3836 -1 1 {} H 0.0 {0.327528 0.546126 0.550293} H5 3837 -1 1 {} H 0.0 {0.325565 0.53242 0.558107} H6 3838 -1 1 {} H 0.0 {0.345965 0.505532 0.549044} H7 3839 -1 1 {} H 0.0 {0.339191 0.512104 0.535212} H8 3840 -1 1 {} H 0.0 {0.350458 0.553744 0.559756} H9 3841 -1 1 {} H 0.0 {0.362475 0.563123 0.563246} H10 3842 -1 1 {} H 0.0 {0.366409 0.546873 0.584713} H11 3843 -1 1 {} H 0.0 {0.37758 0.535642 0.58237} H12 3844 -1 1 {} H 0.0 {0.377967 0.555057 0.542329} H13 3845 -1 1 {} H 0.0 {0.38657 0.540592 0.543002} H14 3846 -1 1 {} H 0.0 {0.40533 0.530588 0.560486} H15 3847 -1 1 {} H 0.0 {0.361996 0.459783 0.604703} H16 3848 -1 1 {} H 0.0 {0.370253 0.448508 0.594441} H17 3849 -1 1 {} H 0.0 {0.412253 0.426177 0.368695} H18 3850 -1 1 {} H 0.0 {0.389593 0.517046 0.528032} H19 3851 -1 1 {} H 0.0 {0.381799 0.516978 0.575491} H20 3852 -1 1 {} H 0.0 {0.379379 0.502399 0.582321} H21 3853 -1 1 {} H 0.0 {0.425214 0.322108 0.509402} H22 3854 -1 14 {} Si 0.0 {0.332626 0.439115 0.444685} Si1 3855 -1 8 {} O 0.0 {0.322107 0.361814 0.385697} O1 3856 -1 14 {} Si 0.0 {0.320418 0.378159 0.385959} Si2 3857 -1 8 {} O 0.0 {0.315981 0.381089 0.40151} O2 3858 -1 14 {} Si 0.0 {0.318379 0.384159 0.416232} Si3 3859 -1 7 {} N 0.0 {0.320626 0.374615 0.428645} N1 3860 -1 14 {} Si 0.0 {0.327409 0.361408 0.420441} Si4 3861 -1 14 {} Si 0.0 {0.32205 0.36875 0.444201} Si5 3862 -1 7 {} N 0.0 {0.34597 0.358718 0.423465} N2 3863 -1 7 {} N 0.0 {0.317506 0.346438 0.413744} N3 3864 -1 7 {} N 0.0 {0.3571 0.318532 0.456446} N4 3865 -1 7 {} N 0.0 {0.717399 0.662018 0.415004} N5 3866 -1 7 {} N 0.0 {0.399047 0.303586 0.391446} N6 3867 -1 7 {} N 0.0 {0.333506 0.373831 0.453436} N7 3868 -1 8 {} O 0.0 {0.34075 0.444 0.457329} O3 3869 -1 6 {} C 0.0 {0.369947 0.468642 0.388564} C1 3870 -1 8 {} O 0.0 {0.345236 0.434119 0.436818} O4 3871 -1 7 {} N 0.0 {0.332727 0.464264 0.404272} N8 3872 -1 8 {} O 0.0 {0.335236 0.383719 0.381807} O5 3873 -1 1 {} H 0.0 {0.321502 0.358207 0.394527} H1 3874 -1 1 {} H 0.0 {0.310778 0.382482 0.376684} H2 3875 -1 1 {} H 0.0 {0.350174 0.366884 0.419744} H3 3876 -1 1 {} H 0.0 {0.346628 0.359384 0.433364} H4 3877 -1 1 {} H 0.0 {0.308706 0.347474 0.418784} H5 3878 -1 1 {} H 0.0 {0.322371 0.337898 0.416527} H6 3879 -1 1 {} H 0.0 {0.349568 0.32022 0.463141} H7 3880 -1 1 {} H 0.0 {0.362824 0.32691 0.459066} H8 3881 -1 1 {} H 0.0 {0.343008 0.562015 0.529756} H9 3882 -1 1 {} H 0.0 {0.72716 0.660265 0.414336} H10 3883 -1 1 {} H 0.0 {0.389703 0.304912 0.388464} H11 3884 -1 1 {} H 0.0 {0.40157 0.293781 0.388671} H12 3885 -1 1 {} H 0.0 {0.334309 0.373444 0.463557} H13 3886 -1 1 {} H 0.0 {0.609485 0.533393 0.668133} H14 3887 -1 1 {} H 0.0 {0.395635 0.47721 0.39872} H15 3888 -1 1 {} H 0.0 {0.372971 0.476863 0.383548} H16 3889 -1 1 {} H 0.0 {0.359281 0.469711 0.38963} H17 3890 -1 1 {} H 0.0 {0.375367 0.466726 0.39751} H18 3891 -1 1 {} H 0.0 {0.397245 0.387765 0.473522} H19 3892 -1 1 {} H 0.0 {0.328701 0.460704 0.395554} H20 3893 -1 1 {} H 0.0 {0.327191 0.460865 0.411934} H21 3894 -1 1 {} H 0.0 {0.338757 0.487648 0.397938} H22 3895 -1 14 {} Si 0.0 {0.416939 0.346904 0.47203} Si1 3896 -1 8 {} O 0.0 {0.428176 0.347812 0.483456} O1 3897 -1 14 {} Si 0.0 {0.435406 0.357713 0.492201} Si2 3898 -1 8 {} O 0.0 {0.425319 0.362302 0.503433} O2 3899 -1 14 {} Si 0.0 {0.411616 0.359525 0.510739} Si3 3900 -1 7 {} N 0.0 {0.414422 0.364639 0.529948} N1 3901 -1 14 {} Si 0.0 {0.41898 0.357097 0.543729} Si4 3902 -1 14 {} Si 0.0 {0.413652 0.380851 0.528724} Si5 3903 -1 7 {} N 0.0 {0.41163 0.338174 0.54335} N2 3904 -1 7 {} N 0.0 {0.409284 0.361635 0.559498} N3 3905 -1 7 {} N 0.0 {0.437946 0.359348 0.545419} N4 3906 -1 7 {} N 0.0 {0.427992 0.387739 0.517594} N5 3907 -1 7 {} N 0.0 {0.396457 0.389647 0.521645} N6 3908 -1 7 {} N 0.0 {0.418518 0.388423 0.546028} N7 3909 -1 8 {} O 0.0 {0.419897 0.360313 0.463823} O3 3910 -1 6 {} C 0.0 {0.396921 0.339184 0.477197} C1 3911 -1 8 {} O 0.0 {0.425743 0.337536 0.462403} O4 3912 -1 7 {} N 0.0 {0.401917 0.341394 0.510676} N8 3913 -1 8 {} O 0.0 {0.400042 0.367162 0.503051} O5 3914 -1 1 {} H 0.0 {0.438677 0.370414 0.484866} H1 3915 -1 1 {} H 0.0 {0.446585 0.347901 0.499449} H2 3916 -1 1 {} H 0.0 {0.418934 0.331008 0.541625} H3 3917 -1 1 {} H 0.0 {0.405427 0.338101 0.535793} H4 3918 -1 1 {} H 0.0 {0.402791 0.369096 0.557781} H5 3919 -1 1 {} H 0.0 {0.404014 0.35339 0.561194} H6 3920 -1 1 {} H 0.0 {0.441111 0.35046 0.549271} H7 3921 -1 1 {} H 0.0 {0.438651 0.366466 0.552562} H8 3922 -1 1 {} H 0.0 {0.421994 0.393065 0.511249} H9 3923 -1 1 {} H 0.0 {0.430644 0.378694 0.513658} H10 3924 -1 1 {} H 0.0 {0.389726 0.386399 0.528676} H11 3925 -1 1 {} H 0.0 {0.395353 0.383893 0.512368} H12 3926 -1 1 {} H 0.0 {0.428579 0.388206 0.545347} H13 3927 -1 1 {} H 0.0 {0.416963 0.381242 0.552757} H14 3928 -1 1 {} H 0.0 {0.428531 0.364303 0.46537} H15 3929 -1 1 {} H 0.0 {0.391177 0.347357 0.480764} H16 3930 -1 1 {} H 0.0 {0.398185 0.329805 0.482148} H17 3931 -1 1 {} H 0.0 {0.391532 0.33616 0.468253} H18 3932 -1 1 {} H 0.0 {0.43266 0.342728 0.457355} H19 3933 -1 1 {} H 0.0 {0.394966 0.343795 0.518197} H20 3934 -1 1 {} H 0.0 {0.408874 0.335996 0.515966} H21 3935 -1 1 {} H 0.0 {0.392667 0.360703 0.501199} H22 3936 -1 14 {} Si 0.0 {0.310253 0.368336 0.595682} Si1 3937 -1 8 {} O 0.0 {0.307042 0.366706 0.611791} O1 3938 -1 14 {} Si 0.0 {0.342066 0.725107 0.623357} Si2 3939 -1 8 {} O 0.0 {0.329088 0.716359 0.620146} O2 3940 -1 14 {} Si 0.0 {0.323835 0.702691 0.614126} Si3 3941 -1 7 {} N 0.0 {0.314154 0.702924 0.597654} N1 3942 -1 14 {} Si 0.0 {0.305555 0.691005 0.590774} Si4 3943 -1 14 {} Si 0.0 {0.31438 0.716174 0.587626} Si5 3944 -1 7 {} N 0.0 {0.317046 0.67588 0.58677} N2 3945 -1 7 {} N 0.0 {0.52559 0.494066 0.660329} N3 3946 -1 7 {} N 0.0 {0.290644 0.687176 0.603386} N4 3947 -1 7 {} N 0.0 {0.332122 0.720614 0.583717} N5 3948 -1 7 {} N 0.0 {0.307659 0.712877 0.568425} N6 3949 -1 7 {} N 0.0 {0.301136 0.730561 0.596619} N7 3950 -1 8 {} O 0.0 {0.325956 0.370219 0.598607} O3 3951 -1 6 {} C 0.0 {0.301181 0.355279 0.578768} C1 3952 -1 8 {} O 0.0 {0.311634 0.34944 0.592094} O4 3953 -1 7 {} N 0.0 {0.311861 0.693076 0.625876} N8 3954 -1 8 {} O 0.0 {0.338034 0.695786 0.61112} O5 3955 -1 1 {} H 0.0 {0.341794 0.735296 0.609737} H1 3956 -1 1 {} H 0.0 {0.354663 0.714938 0.618298} H2 3957 -1 1 {} H 0.0 {0.320284 0.673993 0.595848} H3 3958 -1 1 {} H 0.0 {0.32489 0.680737 0.582717} H4 3959 -1 1 {} H 0.0 {0.52685 0.50404 0.661494} H5 3960 -1 1 {} H 0.0 {0.515658 0.492718 0.658557} H6 3961 -1 1 {} H 0.0 {0.283549 0.690933 0.596736} H7 3962 -1 1 {} H 0.0 {0.291947 0.694993 0.609496} H8 3963 -1 1 {} H 0.0 {0.334779 0.716295 0.574614} H9 3964 -1 1 {} H 0.0 {0.336801 0.714259 0.589879} H10 3965 -1 1 {} H 0.0 {0.316766 0.715197 0.565128} H11 3966 -1 1 {} H 0.0 {0.3021 0.720922 0.564875} H12 3967 -1 1 {} H 0.0 {0.308836 0.736622 0.598515} H13 3968 -1 1 {} H 0.0 {0.29734 0.735781 0.588312} H14 3969 -1 1 {} H 0.0 {0.327834 0.379396 0.602562} H15 3970 -1 1 {} H 0.0 {0.291447 0.352494 0.580146} H16 3971 -1 1 {} H 0.0 {0.304476 0.348125 0.57218} H17 3972 -1 1 {} H 0.0 {0.302171 0.364578 0.572526} H18 3973 -1 1 {} H 0.0 {0.307048 0.357133 0.614273} H19 3974 -1 1 {} H 0.0 {0.30371 0.69814 0.623032} H20 3975 -1 1 {} H 0.0 {0.309995 0.682969 0.623968} H21 3976 -1 1 {} H 0.0 {0.340506 0.69719 0.601545} H22 3977 -1 14 {} Si 0.0 {0.406422 0.42684 0.290176} Si1 3978 -1 8 {} O 0.0 {0.412154 0.424629 0.305218} O1 3979 -1 14 {} Si 0.0 {0.420445 0.430716 0.31761} Si2 3980 -1 8 {} O 0.0 {0.435317 0.434888 0.313524} O2 3981 -1 14 {} Si 0.0 {0.448976 0.431739 0.307697} Si3 3982 -1 7 {} N 0.0 {0.463912 0.441635 0.315633} N1 3983 -1 14 {} Si 0.0 {0.479507 0.436848 0.315447} Si4 3984 -1 14 {} Si 0.0 {0.4602 0.456525 0.32108} Si5 3985 -1 7 {} N 0.0 {0.488416 0.434688 0.332381} N2 3986 -1 7 {} N 0.0 {0.491695 0.448413 0.303869} N3 3987 -1 7 {} N 0.0 {0.480451 0.418282 0.307172} N4 3988 -1 7 {} N 0.0 {0.442902 0.457805 0.329825} N5 3989 -1 7 {} N 0.0 {0.472478 0.463111 0.33406} N6 3990 -1 7 {} N 0.0 {0.462512 0.470971 0.307908} N7 3991 -1 8 {} O 0.0 {0.394424 0.437112 0.294672} O3 3992 -1 6 {} C 0.0 {0.425529 0.428552 0.268567} C1 3993 -1 8 {} O 0.0 {0.418748 0.435007 0.283831} O4 3994 -1 7 {} N 0.0 {0.449468 0.432286 0.288378} N8 3995 -1 8 {} O 0.0 {0.451524 0.41706 0.313692} O5 3996 -1 1 {} H 0.0 {0.422433 0.420278 0.329909} H1 3997 -1 1 {} H 0.0 {0.412826 0.441275 0.322054} H2 3998 -1 1 {} H 0.0 {0.4842 0.426109 0.335928} H3 3999 -1 1 {} H 0.0 {0.497287 0.432622 0.328499} H4 4000 -1 1 {} H 0.0 {0.500451 0.443563 0.305119} H5 4001 -1 1 {} H 0.0 {0.493641 0.457649 0.307676} H6 4002 -1 1 {} H 0.0 {0.479926 0.420835 0.297351} H7 4003 -1 1 {} H 0.0 {0.471035 0.41398 0.308992} H8 4004 -1 1 {} H 0.0 {0.436258 0.462137 0.323846} H9 4005 -1 1 {} H 0.0 {0.440957 0.447889 0.329671} H10 4006 -1 1 {} H 0.0 {0.479696 0.455835 0.332568} H11 4007 -1 1 {} H 0.0 {0.468324 0.460467 0.34249} H12 4008 -1 1 {} H 0.0 {0.467038 0.476878 0.314914} H13 4009 -1 1 {} H 0.0 {0.470279 0.466253 0.303643} H14 4010 -1 1 {} H 0.0 {0.397185 0.44238 0.301994} H15 4011 -1 1 {} H 0.0 {0.403463 0.438082 0.253242} H16 4012 -1 1 {} H 0.0 {0.377258 0.418823 0.243958} H17 4013 -1 1 {} H 0.0 {0.435127 0.433275 0.269716} H18 4014 -1 1 {} H 0.0 {0.427541 0.432606 0.288921} H19 4015 -1 1 {} H 0.0 {0.459599 0.430165 0.286167} H20 4016 -1 1 {} H 0.0 {0.448493 0.442892 0.287479} H21 4017 -1 1 {} H 0.0 {0.453868 0.417243 0.323128} H22 4018 -1 14 {} Si 0.0 {0.462242 0.615935 0.304421} Si1 4019 -1 8 {} O 0.0 {0.461564 0.619462 0.319896} O1 4020 -1 14 {} Si 0.0 {0.455179 0.624937 0.332395} Si2 4021 -1 8 {} O 0.0 {0.435135 0.612529 0.332374} O2 4022 -1 14 {} Si 0.0 {0.438001 0.616972 0.368082} Si3 4023 -1 7 {} N 0.0 {0.462308 0.601374 0.407305} N1 4024 -1 14 {} Si 0.0 {0.420604 0.606618 0.353796} Si4 4025 -1 14 {} Si 0.0 {0.459254 0.616212 0.403401} Si5 4026 -1 7 {} N 0.0 {0.357222 0.57397 0.4758} N2 4027 -1 7 {} N 0.0 {0.403649 0.613022 0.347239} N3 4028 -1 7 {} N 0.0 {0.421267 0.616612 0.369913} N4 4029 -1 7 {} N 0.0 {0.446149 0.614678 0.386707} N5 4030 -1 7 {} N 0.0 {0.460452 0.598465 0.422094} N6 4031 -1 7 {} N 0.0 {0.450577 0.625015 0.418617} N7 4032 -1 8 {} O 0.0 {0.478227 0.61833 0.304639} O3 4033 -1 6 {} C 0.0 {0.450684 0.62332 0.291757} C1 4034 -1 8 {} O 0.0 {0.459545 0.595443 0.307217} O4 4035 -1 7 {} N 0.0 {0.414329 0.678548 0.333151} N8 4036 -1 8 {} O 0.0 {0.506643 0.699663 0.506958} O5 4037 -1 1 {} H 0.0 {0.441765 0.578537 0.340862} H1 4038 -1 1 {} H 0.0 {0.44169 0.584432 0.325188} H2 4039 -1 1 {} H 0.0 {0.367087 0.571569 0.475832} H3 4040 -1 1 {} H 0.0 {0.353811 0.570616 0.466644} H4 4041 -1 1 {} H 0.0 {0.398524 0.604975 0.351075} H5 4042 -1 1 {} H 0.0 {0.402256 0.621069 0.353471} H6 4043 -1 1 {} H 0.0 {0.39308 0.550595 0.387952} H7 4044 -1 1 {} H 0.0 {0.470973 0.567933 0.348705} H8 4045 -1 1 {} H 0.0 {0.445651 0.604334 0.386264} H9 4046 -1 1 {} H 0.0 {0.436853 0.617311 0.390937} H10 4047 -1 1 {} H 0.0 {0.469814 0.596939 0.426964} H11 4048 -1 1 {} H 0.0 {0.456558 0.588593 0.424252} H12 4049 -1 1 {} H 0.0 {0.456451 0.62358 0.42639} H13 4050 -1 1 {} H 0.0 {0.442687 0.619176 0.41974} H14 4051 -1 1 {} H 0.0 {0.482674 0.60919 0.304343} H15 4052 -1 1 {} H 0.0 {0.444173 0.628532 0.298944} H16 4053 -1 1 {} H 0.0 {0.44481 0.615268 0.287147} H17 4054 -1 1 {} H 0.0 {0.455982 0.629727 0.285361} H18 4055 -1 1 {} H 0.0 {0.454638 0.594779 0.31573} H19 4056 -1 1 {} H 0.0 {0.512232 0.696381 0.498825} H20 4057 -1 1 {} H 0.0 {0.488403 0.441519 0.646691} H21 4058 -1 1 {} H 0.0 {0.499945 0.692774 0.509641} H22 4059 -1 14 {} Si 0.0 {0.340697 0.479264 0.535605} Si1 4060 -1 8 {} O 0.0 {0.349591 0.477341 0.548488} O1 4061 -1 14 {} Si 0.0 {0.358221 0.482176 0.560468} Si2 4062 -1 8 {} O 0.0 {0.350459 0.476479 0.577944} O2 4063 -1 14 {} Si 0.0 {0.293513 0.392714 0.569607} Si3 4064 -1 7 {} N 0.0 {0.331241 0.409808 0.580586} N1 4065 -1 14 {} Si 0.0 {0.375677 0.41702 0.652793} Si4 4066 -1 14 {} Si 0.0 {0.293444 0.422226 0.567412} Si5 4067 -1 7 {} N 0.0 {0.36095 0.432819 0.650588} N2 4068 -1 7 {} N 0.0 {0.305259 0.384238 0.584046} N3 4069 -1 7 {} N 0.0 {0.359767 0.387111 0.650478} N4 4070 -1 7 {} N 0.0 {0.801302 0.424549 0.16021} N5 4071 -1 7 {} N 0.0 {0.705705 0.533239 0.444917} N6 4072 -1 7 {} N 0.0 {0.284438 0.43317 0.557666} N7 4073 -1 8 {} O 0.0 {0.353029 0.486431 0.528639} O3 4074 -1 6 {} C 0.0 {0.335958 0.454517 0.544107} C1 4075 -1 8 {} O 0.0 {0.306171 0.451381 0.543079} O4 4076 -1 7 {} N 0.0 {0.365644 0.444298 0.56481} N8 4077 -1 8 {} O 0.0 {0.289998 0.407999 0.573287} O5 4078 -1 1 {} H 0.0 {0.304293 0.650957 0.612027} H1 4079 -1 1 {} H 0.0 {0.379178 0.501286 0.556048} H2 4080 -1 1 {} H 0.0 {0.354764 0.42991 0.642461} H3 4081 -1 1 {} H 0.0 {0.365101 0.438609 0.657673} H4 4082 -1 1 {} H 0.0 {0.301831 0.390072 0.591355} H5 4083 -1 1 {} H 0.0 {0.314786 0.388395 0.580332} H6 4084 -1 1 {} H 0.0 {0.41294 0.566209 0.294884} H7 4085 -1 1 {} H 0.0 {0.810012 0.428075 0.164089} H8 4086 -1 1 {} H 0.0 {0.799972 0.415376 0.164393} H9 4087 -1 1 {} H 0.0 {0.803638 0.422216 0.150112} H10 4088 -1 1 {} H 0.0 {0.69819 0.52962 0.451707} H11 4089 -1 1 {} H 0.0 {0.713448 0.526982 0.444233} H12 4090 -1 1 {} H 0.0 {0.291002 0.440708 0.555108} H13 4091 -1 1 {} H 0.0 {0.281176 0.430956 0.548325} H14 4092 -1 1 {} H 0.0 {0.349495 0.464012 0.516707} H15 4093 -1 1 {} H 0.0 {0.330881 0.490312 0.539027} H16 4094 -1 1 {} H 0.0 {0.343196 0.447618 0.539993} H17 4095 -1 1 {} H 0.0 {0.334916 0.455004 0.554241} H18 4096 -1 1 {} H 0.0 {0.304224 0.461793 0.544912} H19 4097 -1 1 {} H 0.0 {0.368996 0.454038 0.563872} H20 4098 -1 1 {} H 0.0 {0.366903 0.4405 0.555456} H21 4099 -1 1 {} H 0.0 {0.394273 0.587011 0.28354} H22 4100 -1 14 {} Si 0.0 {0.396507 0.540648 0.505934} Si1 4101 -1 8 {} O 0.0 {0.381875 0.535562 0.502872} O1 4102 -1 14 {} Si 0.0 {0.367055 0.532459 0.503483} Si2 4103 -1 8 {} O 0.0 {0.364489 0.517581 0.498271} O2 4104 -1 14 {} Si 0.0 {0.36899 0.502691 0.496322} Si3 4105 -1 7 {} N 0.0 {0.352315 0.463527 0.506425} N1 4106 -1 14 {} Si 0.0 {0.36578 0.472776 0.506058} Si4 4107 -1 14 {} Si 0.0 {0.382593 0.453978 0.613484} Si5 4108 -1 7 {} N 0.0 {0.365807 0.484275 0.48817} N2 4109 -1 7 {} N 0.0 {0.340793 0.468554 0.497449} N3 4110 -1 7 {} N 0.0 {0.379638 0.462818 0.505844} N4 4111 -1 7 {} N 0.0 {0.387893 0.465665 0.535665} N5 4112 -1 7 {} N 0.0 {0.338224 0.498832 0.608611} N6 4113 -1 7 {} N 0.0 {0.379766 0.4551 0.631834} N7 4114 -1 8 {} O 0.0 {0.404421 0.534968 0.48799} O3 4115 -1 6 {} C 0.0 {0.40632 0.539831 0.521788} C1 4116 -1 8 {} O 0.0 {0.391942 0.555107 0.499757} O4 4117 -1 7 {} N 0.0 {0.358585 0.628522 0.474376} N8 4118 -1 8 {} O 0.0 {0.367485 0.49983 0.512469} O5 4119 -1 1 {} H 0.0 {0.357599 0.542428 0.494466} H1 4120 -1 1 {} H 0.0 {0.361398 0.533411 0.517217} H2 4121 -1 1 {} H 0.0 {0.355656 0.486394 0.487886} H3 4122 -1 1 {} H 0.0 {0.367249 0.476577 0.481554} H4 4123 -1 1 {} H 0.0 {0.343823 0.469657 0.487659} H5 4124 -1 1 {} H 0.0 {0.33782 0.477909 0.499356} H6 4125 -1 1 {} H 0.0 {0.384146 0.464526 0.496894} H7 4126 -1 1 {} H 0.0 {0.386489 0.467136 0.512404} H8 4127 -1 1 {} H 0.0 {0.390815 0.474401 0.530368} H9 4128 -1 1 {} H 0.0 {0.383841 0.528844 0.559042} H10 4129 -1 1 {} H 0.0 {0.329823 0.494372 0.60345} H11 4130 -1 1 {} H 0.0 {0.310729 0.620012 0.535325} H12 4131 -1 1 {} H 0.0 {0.371865 0.461823 0.630608} H13 4132 -1 1 {} H 0.0 {0.375684 0.446045 0.633739} H14 4133 -1 1 {} H 0.0 {0.398805 0.539154 0.481043} H15 4134 -1 1 {} H 0.0 {0.404358 0.549666 0.52674} H16 4135 -1 1 {} H 0.0 {0.416545 0.539365 0.518675} H17 4136 -1 1 {} H 0.0 {0.403009 0.530765 0.52811} H18 4137 -1 1 {} H 0.0 {0.390965 0.554616 0.489919} H19 4138 -1 1 {} H 0.0 {0.352403 0.625962 0.466594} H20 4139 -1 1 {} H 0.0 {0.368138 0.629542 0.470068} H21 4140 -1 1 {} H 0.0 {0.434549 0.525372 0.438997} H22 4141 -1 14 {} Si 0.0 {0.72135 0.631828 0.480946} Si1 4142 -1 8 {} O 0.0 {0.709654 0.640514 0.486595} O1 4143 -1 14 {} Si 0.0 {0.694604 0.64649 0.484406} Si2 4144 -1 8 {} O 0.0 {0.685932 0.634274 0.478576} O2 4145 -1 14 {} Si 0.0 {0.682404 0.624324 0.4668} Si3 4146 -1 7 {} N 0.0 {0.6832 0.605566 0.473246} N1 4147 -1 14 {} Si 0.0 {0.687225 0.590221 0.469209} Si4 4148 -1 14 {} Si 0.0 {0.672236 0.605608 0.484909} Si5 4149 -1 7 {} N 0.0 {0.676717 0.537359 0.434199} N2 4150 -1 7 {} N 0.0 {0.431036 0.312375 0.482464} N3 4151 -1 7 {} N 0.0 {0.736705 0.395129 0.401249} N4 4152 -1 7 {} N 0.0 {0.706023 0.592531 0.467057} N5 4153 -1 7 {} N 0.0 {0.627074 0.638407 0.394808} N6 4154 -1 7 {} N 0.0 {0.658156 0.592678 0.485205} N7 4155 -1 8 {} O 0.0 {0.713964 0.617345 0.481123} O3 4156 -1 6 {} C 0.0 {0.738162 0.635452 0.488284} C1 4157 -1 8 {} O 0.0 {0.719208 0.634368 0.465458} O4 4158 -1 7 {} N 0.0 {0.693132 0.625558 0.449911} N8 4159 -1 8 {} O 0.0 {0.66737 0.630145 0.465682} O5 4160 -1 1 {} H 0.0 {0.695775 0.657543 0.472835} H1 4161 -1 1 {} H 0.0 {0.687362 0.650981 0.495511} H2 4162 -1 1 {} H 0.0 {0.668401 0.543335 0.436703} H3 4163 -1 1 {} H 0.0 {0.681069 0.533983 0.443022} H4 4164 -1 1 {} H 0.0 {0.421956 0.310224 0.485717} H5 4165 -1 1 {} H 0.0 {0.435527 0.316519 0.491446} H6 4166 -1 1 {} H 0.0 {0.738245 0.4047 0.397717} H7 4167 -1 1 {} H 0.0 {0.727513 0.39172 0.397423} H8 4168 -1 1 {} H 0.0 {0.705967 0.59839 0.458824} H9 4169 -1 1 {} H 0.0 {0.709585 0.599176 0.474429} H10 4170 -1 1 {} H 0.0 {0.622562 0.632201 0.401177} H11 4171 -1 1 {} H 0.0 {0.619741 0.643988 0.390444} H12 4172 -1 1 {} H 0.0 {0.651269 0.596208 0.49152} H13 4173 -1 1 {} H 0.0 {0.654341 0.594228 0.475659} H14 4174 -1 1 {} H 0.0 {0.704309 0.618887 0.483038} H15 4175 -1 1 {} H 0.0 {0.738589 0.62842 0.49635} H16 4176 -1 1 {} H 0.0 {0.737659 0.645343 0.491062} H17 4177 -1 1 {} H 0.0 {0.746801 0.634579 0.481655} H18 4178 -1 1 {} H 0.0 {0.710537 0.631763 0.463709} H19 4179 -1 1 {} H 0.0 {0.696917 0.616662 0.448283} H20 4180 -1 1 {} H 0.0 {0.685015 0.626184 0.443246} H21 4181 -1 1 {} H 0.0 {0.668103 0.637641 0.458822} H22 4182 -1 14 {} Si 0.0 {0.552866 0.580003 0.355918} Si1 4183 -1 8 {} O 0.0 {0.553184 0.592533 0.365806} O1 4184 -1 14 {} Si 0.0 {0.559143 0.603579 0.375229} Si2 4185 -1 8 {} O 0.0 {0.557411 0.617778 0.369423} O2 4186 -1 14 {} Si 0.0 {0.55355 0.625801 0.356582} Si3 4187 -1 7 {} N 0.0 {0.564608 0.625868 0.340868} N1 4188 -1 14 {} Si 0.0 {0.563207 0.633061 0.325552} Si4 4189 -1 14 {} Si 0.0 {0.580889 0.621913 0.340586} Si5 4190 -1 7 {} N 0.0 {0.557056 0.650845 0.327498} N2 4191 -1 7 {} N 0.0 {0.550121 0.623196 0.316214} N3 4192 -1 7 {} N 0.0 {0.580941 0.632131 0.315185} N4 4193 -1 7 {} N 0.0 {0.593181 0.630252 0.328099} N5 4194 -1 7 {} N 0.0 {0.587258 0.625943 0.35583} N6 4195 -1 7 {} N 0.0 {0.58059 0.603026 0.336063} N7 4196 -1 8 {} O 0.0 {0.554273 0.56984 0.369139} O3 4197 -1 6 {} C 0.0 {0.565342 0.577208 0.340479} C1 4198 -1 8 {} O 0.0 {0.536887 0.578896 0.354212} O4 4199 -1 7 {} N 0.0 {0.553381 0.644067 0.361148} N8 4200 -1 8 {} O 0.0 {0.537747 0.62095 0.355912} O5 4201 -1 1 {} H 0.0 {0.57445 0.601365 0.374661} H1 4202 -1 1 {} H 0.0 {0.551544 0.603215 0.388798} H2 4203 -1 1 {} H 0.0 {0.558112 0.652363 0.337373} H3 4204 -1 1 {} H 0.0 {0.546729 0.652673 0.327568} H4 4205 -1 1 {} H 0.0 {0.542372 0.625933 0.322096} H5 4206 -1 1 {} H 0.0 {0.547655 0.628461 0.307922} H6 4207 -1 1 {} H 0.0 {0.581569 0.640719 0.309953} H7 4208 -1 1 {} H 0.0 {0.578012 0.624293 0.309331} H8 4209 -1 1 {} H 0.0 {0.601384 0.627023 0.323643} H9 4210 -1 1 {} H 0.0 {0.594698 0.639962 0.332721} H10 4211 -1 1 {} H 0.0 {0.579536 0.631387 0.359752} H11 4212 -1 1 {} H 0.0 {0.589454 0.617202 0.361155} H12 4213 -1 1 {} H 0.0 {0.581324 0.603926 0.326538} H13 4214 -1 1 {} H 0.0 {0.589407 0.600984 0.34044} H14 4215 -1 1 {} H 0.0 {0.5463 0.564609 0.370444} H15 4216 -1 1 {} H 0.0 {0.574891 0.576353 0.343562} H16 4217 -1 1 {} H 0.0 {0.563983 0.586206 0.335352} H17 4218 -1 1 {} H 0.0 {0.561541 0.56787 0.336473} H18 4219 -1 1 {} H 0.0 {0.533105 0.58788 0.352178} H19 4220 -1 1 {} H 0.0 {0.556742 0.64468 0.370571} H20 4221 -1 1 {} H 0.0 {0.543226 0.64474 0.361936} H21 4222 -1 1 {} H 0.0 {0.522086 0.613513 0.314026} H22 4223 -1 14 {} Si 0.0 {0.60068 0.338942 0.417255} Si1 4224 -1 8 {} O 0.0 {0.585901 0.339304 0.41231} O1 4225 -1 14 {} Si 0.0 {0.571077 0.34318 0.414211} Si2 4226 -1 8 {} O 0.0 {0.572113 0.352112 0.427082} O2 4227 -1 14 {} Si 0.0 {0.569459 0.366003 0.434502} Si3 4228 -1 7 {} N 0.0 {0.573322 0.381151 0.448079} N1 4229 -1 14 {} Si 0.0 {0.578857 0.379394 0.463921} Si4 4230 -1 14 {} Si 0.0 {0.569642 0.397558 0.448088} Si5 4231 -1 7 {} N 0.0 {0.585486 0.361114 0.463949} N2 4232 -1 7 {} N 0.0 {0.562907 0.37828 0.474919} N3 4233 -1 7 {} N 0.0 {0.593723 0.3903 0.469804} N4 4234 -1 7 {} N 0.0 {0.581731 0.408887 0.440118} N5 4235 -1 7 {} N 0.0 {0.550522 0.402617 0.442755} N6 4236 -1 7 {} N 0.0 {0.568678 0.407297 0.465277} N7 4237 -1 8 {} O 0.0 {0.603467 0.323484 0.415101} O3 4238 -1 6 {} C 0.0 {0.605818 0.345646 0.437684} C1 4239 -1 8 {} O 0.0 {0.605927 0.345305 0.403756} O4 4240 -1 7 {} N 0.0 {0.554541 0.361138 0.446292} N8 4241 -1 8 {} O 0.0 {0.58942 0.369486 0.429665} O5 4242 -1 1 {} H 0.0 {0.564275 0.32877 0.418966} H1 4243 -1 1 {} H 0.0 {0.572305 0.35961 0.368788} H2 4244 -1 1 {} H 0.0 {0.58156 0.358604 0.454722} H3 4245 -1 1 {} H 0.0 {0.580139 0.356386 0.471092} H4 4246 -1 1 {} H 0.0 {0.565185 0.371589 0.482124} H5 4247 -1 1 {} H 0.0 {0.556602 0.373722 0.468258} H6 4248 -1 1 {} H 0.0 {0.592453 0.389177 0.479994} H7 4249 -1 1 {} H 0.0 {0.589516 0.398718 0.466874} H8 4250 -1 1 {} H 0.0 {0.587202 0.413618 0.447591} H9 4251 -1 1 {} H 0.0 {0.576248 0.41621 0.436225} H10 4252 -1 1 {} H 0.0 {0.545391 0.397944 0.450411} H11 4253 -1 1 {} H 0.0 {0.550089 0.412795 0.444699} H12 4254 -1 1 {} H 0.0 {0.562188 0.400647 0.468691} H13 4255 -1 1 {} H 0.0 {0.561755 0.414581 0.462121} H14 4256 -1 1 {} H 0.0 {0.609653 0.320241 0.422145} H15 4257 -1 1 {} H 0.0 {0.607417 0.337513 0.443978} H16 4258 -1 1 {} H 0.0 {0.596408 0.349643 0.439424} H17 4259 -1 1 {} H 0.0 {0.625541 0.365956 0.426285} H18 4260 -1 1 {} H 0.0 {0.607084 0.339099 0.39692} H19 4261 -1 1 {} H 0.0 {0.553773 0.370322 0.45141} H20 4262 -1 1 {} H 0.0 {0.546594 0.361239 0.439734} H21 4263 -1 1 {} H 0.0 {0.590406 0.362647 0.423191} H22 4264 -1 14 {} Si 0.0 {0.466428 0.356733 0.512531} Si1 4265 -1 8 {} O 0.0 {0.46637 0.361953 0.498073} O1 4266 -1 14 {} Si 0.0 {0.474291 0.365914 0.484739} Si2 4267 -1 8 {} O 0.0 {0.488227 0.367871 0.490502} O2 4268 -1 14 {} Si 0.0 {0.502272 0.361684 0.487982} Si3 4269 -1 7 {} N 0.0 {0.513992 0.358646 0.503632} N1 4270 -1 14 {} Si 0.0 {0.513682 0.376001 0.513363} Si4 4271 -1 14 {} Si 0.0 {0.531132 0.358742 0.504087} Si5 4272 -1 7 {} N 0.0 {0.513264 0.390719 0.503212} N2 4273 -1 7 {} N 0.0 {0.524854 0.378967 0.526142} N3 4274 -1 7 {} N 0.0 {0.496791 0.373299 0.522102} N4 4275 -1 7 {} N 0.0 {0.540698 0.374506 0.500194} N5 4276 -1 7 {} N 0.0 {0.537945 0.350427 0.519491} N6 4277 -1 7 {} N 0.0 {0.535281 0.3467 0.489466} N7 4278 -1 8 {} O 0.0 {0.453091 0.34097 0.507226} O3 4279 -1 6 {} C 0.0 {0.462878 0.369297 0.525355} C1 4280 -1 8 {} O 0.0 {0.47902 0.347331 0.513753} O4 4281 -1 7 {} N 0.0 {0.515301 0.372326 0.476694} N8 4282 -1 8 {} O 0.0 {0.496837 0.35015 0.478617} O5 4283 -1 1 {} H 0.0 {0.500243 0.420885 0.453118} H1 4284 -1 1 {} H 0.0 {0.473967 0.354853 0.474771} H2 4285 -1 1 {} H 0.0 {0.521498 0.396274 0.506471} H3 4286 -1 1 {} H 0.0 {0.505329 0.39622 0.506782} H4 4287 -1 1 {} H 0.0 {0.527304 0.388542 0.525878} H5 4288 -1 1 {} H 0.0 {0.533377 0.374313 0.52196} H6 4289 -1 1 {} H 0.0 {0.492815 0.365765 0.5159} H7 4290 -1 1 {} H 0.0 {0.498836 0.368014 0.530692} H8 4291 -1 1 {} H 0.0 {0.548722 0.374158 0.507099} H9 4292 -1 1 {} H 0.0 {0.543854 0.371923 0.491255} H10 4293 -1 1 {} H 0.0 {0.53259 0.352286 0.527665} H11 4294 -1 1 {} H 0.0 {0.547186 0.354474 0.520496} H12 4295 -1 1 {} H 0.0 {0.526277 0.341401 0.48859} H13 4296 -1 1 {} H 0.0 {0.541584 0.340789 0.49432} H14 4297 -1 1 {} H 0.0 {0.459407 0.335322 0.50161} H15 4298 -1 1 {} H 0.0 {0.452454 0.369066 0.528849} H16 4299 -1 1 {} H 0.0 {0.463983 0.379208 0.520929} H17 4300 -1 1 {} H 0.0 {0.469637 0.368336 0.533683} H18 4301 -1 1 {} H 0.0 {0.476902 0.338156 0.511864} H19 4302 -1 1 {} H 0.0 {0.523369 0.366606 0.48028} H20 4303 -1 1 {} H 0.0 {0.516764 0.381653 0.48043} H21 4304 -1 1 {} H 0.0 {0.498721 0.352874 0.469563} H22 4305 -1 14 {} Si 0.0 {0.400584 0.368202 0.424838} Si1 4306 -1 8 {} O 0.0 {0.411566 0.357686 0.428621} O1 4307 -1 14 {} Si 0.0 {0.395996 0.401691 0.346169} Si2 4308 -1 8 {} O 0.0 {0.409721 0.408036 0.347509} O2 4309 -1 14 {} Si 0.0 {0.424252 0.409709 0.341881} Si3 4310 -1 7 {} N 0.0 {0.434439 0.41988 0.355904} N1 4311 -1 14 {} Si 0.0 {0.43684 0.434626 0.361949} Si4 4312 -1 14 {} Si 0.0 {0.435516 0.409619 0.368469} Si5 4313 -1 7 {} N 0.0 {0.424498 0.446118 0.352561} N2 4314 -1 7 {} N 0.0 {0.455281 0.441356 0.357816} N3 4315 -1 7 {} N 0.0 {0.434211 0.437287 0.381417} N4 4316 -1 7 {} N 0.0 {0.45411 0.405698 0.372652} N5 4317 -1 7 {} N 0.0 {0.416337 0.366608 0.326651} N6 4318 -1 7 {} N 0.0 {0.440372 0.470481 0.377252} N7 4319 -1 8 {} O 0.0 {0.407629 0.368434 0.400722} O3 4320 -1 6 {} C 0.0 {0.400487 0.383061 0.406414} C1 4321 -1 8 {} O 0.0 {0.384813 0.354496 0.429957} O4 4322 -1 7 {} N 0.0 {0.436503 0.39865 0.333334} N8 4323 -1 8 {} O 0.0 {0.422494 0.409186 0.378149} O5 4324 -1 1 {} H 0.0 {0.38615 0.412056 0.352399} H1 4325 -1 1 {} H 0.0 {0.394345 0.392416 0.360005} H2 4326 -1 1 {} H 0.0 {0.430319 0.452454 0.347009} H3 4327 -1 1 {} H 0.0 {0.422121 0.452523 0.360181} H4 4328 -1 1 {} H 0.0 {0.459562 0.432265 0.356639} H5 4329 -1 1 {} H 0.0 {0.453314 0.444516 0.348205} H6 4330 -1 1 {} H 0.0 {0.433574 0.426905 0.383257} H7 4331 -1 1 {} H 0.0 {0.44393 0.43969 0.384612} H8 4332 -1 1 {} H 0.0 {0.454376 0.410258 0.381706} H9 4333 -1 1 {} H 0.0 {0.459557 0.412264 0.367004} H10 4334 -1 1 {} H 0.0 {0.406402 0.366092 0.322891} H11 4335 -1 1 {} H 0.0 {0.415204 0.37477 0.332896} H12 4336 -1 1 {} H 0.0 {0.436548 0.460657 0.376367} H13 4337 -1 1 {} H 0.0 {0.442716 0.472253 0.367673} H14 4338 -1 1 {} H 0.0 {0.417533 0.371269 0.402381} H15 4339 -1 1 {} H 0.0 {0.407057 0.390316 0.402382} H16 4340 -1 1 {} H 0.0 {0.399006 0.387204 0.415942} H17 4341 -1 1 {} H 0.0 {0.390519 0.383966 0.402444} H18 4342 -1 1 {} H 0.0 {0.380991 0.352033 0.420912} H19 4343 -1 1 {} H 0.0 {0.439994 0.404147 0.325046} H20 4344 -1 1 {} H 0.0 {0.444678 0.394983 0.338324} H21 4345 -1 1 {} H 0.0 {0.420575 0.40003 0.380133} H22 4346 -1 14 {} Si 0.0 {0.439324 0.684952 0.435797} Si1 4347 -1 8 {} O 0.0 {0.445572 0.675719 0.446492} O1 4348 -1 14 {} Si 0.0 {0.446344 0.665048 0.458538} Si2 4349 -1 8 {} O 0.0 {0.431641 0.660383 0.456806} O2 4350 -1 14 {} Si 0.0 {0.418863 0.653486 0.462746} Si3 4351 -1 7 {} N 0.0 {0.407992 0.639825 0.452457} N1 4352 -1 14 {} Si 0.0 {0.391681 0.642611 0.45198} Si4 4353 -1 14 {} Si 0.0 {0.419859 0.631474 0.442957} Si5 4354 -1 7 {} N 0.0 {0.38679 0.641994 0.470516} N2 4355 -1 7 {} N 0.0 {0.380476 0.627957 0.443388} N3 4356 -1 7 {} N 0.0 {0.391694 0.659439 0.442664} N4 4357 -1 7 {} N 0.0 {0.42733 0.643303 0.429814} N5 4358 -1 7 {} N 0.0 {0.435065 0.624441 0.453953} N6 4359 -1 7 {} N 0.0 {0.408125 0.61763 0.435184} N7 4360 -1 8 {} O 0.0 {0.42472 0.687204 0.442335} O3 4361 -1 6 {} C 0.0 {0.441019 0.679366 0.417764} C1 4362 -1 8 {} O 0.0 {0.445669 0.698758 0.439983} O4 4363 -1 7 {} N 0.0 {0.406443 0.667321 0.469283} N8 4364 -1 8 {} O 0.0 {0.426483 0.646225 0.47448} O5 4365 -1 1 {} H 0.0 {0.411499 0.68596 0.473744} H1 4366 -1 1 {} H 0.0 {0.456836 0.652619 0.455843} H2 4367 -1 1 {} H 0.0 {0.381075 0.650159 0.468525} H3 4368 -1 1 {} H 0.0 {0.395694 0.645187 0.474083} H4 4369 -1 1 {} H 0.0 {0.378577 0.622999 0.451914} H5 4370 -1 1 {} H 0.0 {0.381116 0.62069 0.436029} H6 4371 -1 1 {} H 0.0 {0.38911 0.653908 0.434737} H7 4372 -1 1 {} H 0.0 {0.401832 0.660376 0.44176} H8 4373 -1 1 {} H 0.0 {0.42819 0.651383 0.435486} H9 4374 -1 1 {} H 0.0 {0.437033 0.639605 0.42956} H10 4375 -1 1 {} H 0.0 {0.442813 0.6276 0.448303} H11 4376 -1 1 {} H 0.0 {0.434486 0.630947 0.461851} H12 4377 -1 1 {} H 0.0 {0.402852 0.623413 0.428738} H13 4378 -1 1 {} H 0.0 {0.402619 0.615071 0.443171} H14 4379 -1 1 {} H 0.0 {0.423496 0.680308 0.449589} H15 4380 -1 1 {} H 0.0 {0.432503 0.674909 0.414079} H16 4381 -1 1 {} H 0.0 {0.449198 0.672196 0.416335} H17 4382 -1 1 {} H 0.0 {0.443167 0.688183 0.411774} H18 4383 -1 1 {} H 0.0 {0.487626 0.665347 0.414434} H19 4384 -1 1 {} H 0.0 {0.403184 0.661729 0.477311} H20 4385 -1 1 {} H 0.0 {0.398853 0.667483 0.462848} H21 4386 -1 1 {} H 0.0 {0.432518 0.652215 0.479986} H22 4387 -1 14 {} Si 0.0 {0.510042 0.47064 0.553042} Si1 4388 -1 8 {} O 0.0 {0.499773 0.476775 0.563822} O1 4389 -1 14 {} Si 0.0 {0.493511 0.48927 0.570621} Si2 4390 -1 8 {} O 0.0 {0.506141 0.497966 0.575537} O2 4391 -1 14 {} Si 0.0 {0.511901 0.51236 0.57896} Si3 4392 -1 7 {} N 0.0 {0.519341 0.510201 0.596875} N1 4393 -1 14 {} Si 0.0 {0.512759 0.509332 0.611698} Si4 4394 -1 14 {} Si 0.0 {0.533346 0.501812 0.59786} Si5 4395 -1 7 {} N 0.0 {0.515573 0.495078 0.624997} N2 4396 -1 7 {} N 0.0 {0.49302 0.50768 0.608915} N3 4397 -1 7 {} N 0.0 {0.51407 0.526244 0.621856} N4 4398 -1 7 {} N 0.0 {0.54163 0.500788 0.615637} N5 4399 -1 7 {} N 0.0 {0.531044 0.480417 0.595611} N6 4400 -1 7 {} N 0.0 {0.546385 0.511199 0.585921} N7 4401 -1 8 {} O 0.0 {0.522534 0.470667 0.563951} O3 4402 -1 6 {} C 0.0 {0.511272 0.475321 0.534581} C1 4403 -1 8 {} O 0.0 {0.505473 0.451133 0.558898} O4 4404 -1 7 {} N 0.0 {0.498638 0.526209 0.57981} N8 4405 -1 8 {} O 0.0 {0.522383 0.51347 0.567525} O5 4406 -1 1 {} H 0.0 {0.476312 0.450381 0.567921} H1 4407 -1 1 {} H 0.0 {0.48673 0.496653 0.559738} H2 4408 -1 1 {} H 0.0 {0.522841 0.488769 0.621125} H3 4409 -1 1 {} H 0.0 {0.507119 0.489415 0.625225} H4 4410 -1 1 {} H 0.0 {0.493603 0.502543 0.600259} H5 4411 -1 1 {} H 0.0 {0.490607 0.501326 0.616457} H6 4412 -1 1 {} H 0.0 {0.504636 0.526174 0.625866} H7 4413 -1 1 {} H 0.0 {0.519888 0.522653 0.629277} H8 4414 -1 1 {} H 0.0 {0.548802 0.508136 0.615521} H9 4415 -1 1 {} H 0.0 {0.546722 0.492031 0.613421} H10 4416 -1 1 {} H 0.0 {0.535592 0.478838 0.605072} H11 4417 -1 1 {} H 0.0 {0.537574 0.479549 0.587041} H12 4418 -1 1 {} H 0.0 {0.552394 0.503314 0.582876} H13 4419 -1 1 {} H 0.0 {0.539833 0.512519 0.578293} H14 4420 -1 1 {} H 0.0 {0.518427 0.472672 0.572488} H15 4421 -1 1 {} H 0.0 {0.512618 0.466438 0.529783} H16 4422 -1 1 {} H 0.0 {0.518732 0.483411 0.532182} H17 4423 -1 1 {} H 0.0 {0.501996 0.479832 0.532018} H18 4424 -1 1 {} H 0.0 {0.515051 0.448678 0.557945} H19 4425 -1 1 {} H 0.0 {0.496627 0.526373 0.589513} H20 4426 -1 1 {} H 0.0 {0.490918 0.522515 0.57512} H21 4427 -1 1 {} H 0.0 {0.519016 0.5195 0.56003} H22 4428 -1 14 {} Si 0.0 {0.329876 0.313767 0.497365} Si1 4429 -1 8 {} O 0.0 {0.328962 0.323444 0.484552} O1 4430 -1 14 {} Si 0.0 {0.328116 0.337063 0.476866} Si2 4431 -1 8 {} O 0.0 {0.318163 0.347822 0.484023} O2 4432 -1 14 {} Si 0.0 {0.320428 0.362952 0.490502} Si3 4433 -1 7 {} N 0.0 {0.339864 0.364785 0.486555} N1 4434 -1 14 {} Si 0.0 {0.347186 0.378999 0.486481} Si4 4435 -1 14 {} Si 0.0 {0.355287 0.354333 0.481875} Si5 4436 -1 7 {} N 0.0 {0.361457 0.382843 0.474263} N2 4437 -1 7 {} N 0.0 {0.352774 0.384507 0.504428} N3 4438 -1 7 {} N 0.0 {0.333658 0.390222 0.479046} N4 4439 -1 7 {} N 0.0 {0.35752 0.335383 0.487189} N5 4440 -1 7 {} N 0.0 {0.360618 0.354784 0.463502} N6 4441 -1 7 {} N 0.0 {0.370146 0.357546 0.49363} N7 4442 -1 8 {} O 0.0 {0.344929 0.309642 0.495158} O3 4443 -1 6 {} C 0.0 {0.312847 0.29965 0.498751} C1 4444 -1 8 {} O 0.0 {0.331273 0.326312 0.506362} O4 4445 -1 7 {} N 0.0 {0.319607 0.373546 0.506333} N8 4446 -1 8 {} O 0.0 {0.311821 0.370656 0.479959} O5 4447 -1 1 {} H 0.0 {0.323927 0.335954 0.462899} H1 4448 -1 1 {} H 0.0 {0.341418 0.345523 0.479271} H2 4449 -1 1 {} H 0.0 {0.356124 0.380576 0.466204} H3 4450 -1 1 {} H 0.0 {0.360244 0.392876 0.475723} H4 4451 -1 1 {} H 0.0 {0.362577 0.383045 0.502737} H5 4452 -1 1 {} H 0.0 {0.350714 0.379422 0.513274} H6 4453 -1 1 {} H 0.0 {0.338251 0.399175 0.480555} H7 4454 -1 1 {} H 0.0 {0.326816 0.390185 0.486924} H8 4455 -1 1 {} H 0.0 {0.362606 0.332836 0.479189} H9 4456 -1 1 {} H 0.0 {0.364767 0.33701 0.494693} H10 4457 -1 1 {} H 0.0 {0.369307 0.359985 0.46398} H11 4458 -1 1 {} H 0.0 {0.353705 0.361322 0.460895} H12 4459 -1 1 {} H 0.0 {0.37589 0.363754 0.488229} H13 4460 -1 1 {} H 0.0 {0.366542 0.363273 0.501377} H14 4461 -1 1 {} H 0.0 {0.350239 0.317567 0.491388} H15 4462 -1 1 {} H 0.0 {0.754327 0.993778 0.923734} H16 4463 -1 1 {} H 0.0 {0.310779 0.29919 0.509191} H17 4464 -1 1 {} H 0.0 {0.761748 0.991233 0.923638} H18 4465 -1 1 {} H 0.0 {0.340382 0.327228 0.509826} H19 4466 -1 1 {} H 0.0 {0.319311 0.36614 0.513758} H20 4467 -1 1 {} H 0.0 {0.328894 0.376887 0.506216} H21 4468 -1 1 {} H 0.0 {0.317653 0.376932 0.475224} H22 4469 -1 14 {} Si 0.0 {0.523566 0.357439 0.628} Si1 4470 -1 8 {} O 0.0 {0.536562 0.354314 0.619574} O1 4471 -1 14 {} Si 0.0 {0.54341 0.346073 0.60789} Si2 4472 -1 8 {} O 0.0 {0.534059 0.33382 0.604523} O2 4473 -1 14 {} Si 0.0 {0.528981 0.320256 0.609417} Si3 4474 -1 7 {} N 0.0 {0.521711 0.316009 0.624495} N1 4475 -1 14 {} Si 0.0 {0.535612 0.313033 0.638258} Si4 4476 -1 14 {} Si 0.0 {0.505635 0.312496 0.626436} Si5 4477 -1 7 {} N 0.0 {0.548665 0.327472 0.636045} N2 4478 -1 7 {} N 0.0 {0.542895 0.29897 0.637416} N3 4479 -1 7 {} N 0.0 {0.528892 0.315927 0.65704} N4 4480 -1 7 {} N 0.0 {0.496575 0.313114 0.613537} N5 4481 -1 7 {} N 0.0 {0.501171 0.294567 0.634546} N6 4482 -1 7 {} N 0.0 {0.497713 0.324867 0.640571} N7 4483 -1 8 {} O 0.0 {0.529056 0.349812 0.640808} O3 4484 -1 6 {} C 0.0 {0.494562 0.347453 0.611563} C1 4485 -1 8 {} O 0.0 {0.526177 0.372696 0.630918} O4 4486 -1 7 {} N 0.0 {0.543922 0.30802 0.606713} N8 4487 -1 8 {} O 0.0 {0.518994 0.318084 0.597586} O5 4488 -1 1 {} H 0.0 {0.557137 0.340601 0.613116} H1 4489 -1 1 {} H 0.0 {0.545241 0.355533 0.593784} H2 4490 -1 1 {} H 0.0 {0.542357 0.335731 0.635587} H3 4491 -1 1 {} H 0.0 {0.550697 0.326059 0.625994} H4 4492 -1 1 {} H 0.0 {0.578676 0.634154 0.643154} H5 4493 -1 1 {} H 0.0 {0.552704 0.298634 0.640298} H6 4494 -1 1 {} H 0.0 {0.530321 0.326457 0.657296} H7 4495 -1 1 {} H 0.0 {0.518696 0.314226 0.655445} H8 4496 -1 1 {} H 0.0 {0.0896145 0.48158 0.150119} H9 4497 -1 1 {} H 0.0 {0.697806 0.586965 0.511398} H10 4498 -1 1 {} H 0.0 {0.498137 0.29876 0.643351} H11 4499 -1 1 {} H 0.0 {0.49212 0.293973 0.630055} H12 4500 -1 1 {} H 0.0 {0.500959 0.3203 0.648751} H13 4501 -1 1 {} H 0.0 {0.503115 0.332547 0.636616} H14 4502 -1 1 {} H 0.0 {0.532223 0.356794 0.646992} H15 4503 -1 1 {} H 0.0 {0.493847 0.350752 0.601844} H16 4504 -1 1 {} H 0.0 {0.485446 0.348507 0.616859} H17 4505 -1 1 {} H 0.0 {0.497521 0.336897 0.61054} H18 4506 -1 1 {} H 0.0 {0.534435 0.373891 0.636187} H19 4507 -1 1 {} H 0.0 {0.544935 0.306064 0.616566} H20 4508 -1 1 {} H 0.0 {0.539641 0.30045 0.602095} H21 4509 -1 1 {} H 0.0 {0.510032 0.320145 0.601384} H22 4510 -1 14 {} Si 0.0 {0.412185 0.332915 0.583275} Si1 4511 -1 8 {} O 0.0 {0.399987 0.333719 0.59419} O1 4512 -1 14 {} Si 0.0 {0.393494 0.32781 0.607169} Si2 4513 -1 8 {} O 0.0 {0.386927 0.339896 0.614983} O2 4514 -1 14 {} Si 0.0 {0.384659 0.346984 0.628595} Si3 4515 -1 7 {} N 0.0 {0.367163 0.353842 0.630232} N1 4516 -1 14 {} Si 0.0 {0.358786 0.361096 0.618917} Si4 4517 -1 14 {} Si 0.0 {0.358038 0.351295 0.643545} Si5 4518 -1 7 {} N 0.0 {0.346591 0.350857 0.607628} N2 4519 -1 7 {} N 0.0 {0.375546 0.366576 0.604383} N3 4520 -1 7 {} N 0.0 {0.349919 0.379609 0.621213} N4 4521 -1 7 {} N 0.0 {0.366926 0.359258 0.659014} N5 4522 -1 7 {} N 0.0 {0.340481 0.359776 0.643293} N6 4523 -1 7 {} N 0.0 {0.358353 0.331753 0.646613} N7 4524 -1 8 {} O 0.0 {0.382988 0.3154 0.604624} O3 4525 -1 6 {} C 0.0 {0.428788 0.332688 0.586368} C1 4526 -1 8 {} O 0.0 {0.386113 0.334364 0.558957} O4 4527 -1 7 {} N 0.0 {0.398674 0.361628 0.630291} N8 4528 -1 8 {} O 0.0 {0.386153 0.334243 0.637877} O5 4529 -1 1 {} H 0.0 {0.406549 0.321962 0.616308} H1 4530 -1 1 {} H 0.0 {0.376928 0.317391 0.598281} H2 4531 -1 1 {} H 0.0 {0.338494 0.357176 0.606756} H3 4532 -1 1 {} H 0.0 {0.351043 0.352461 0.598264} H4 4533 -1 1 {} H 0.0 {0.377273 0.368684 0.594317} H5 4534 -1 1 {} H 0.0 {0.380045 0.357229 0.606363} H6 4535 -1 1 {} H 0.0 {0.352442 0.383349 0.611841} H7 4536 -1 1 {} H 0.0 {0.356373 0.38381 0.627805} H8 4537 -1 1 {} H 0.0 {0.375723 0.363397 0.655835} H9 4538 -1 1 {} H 0.0 {0.360907 0.367287 0.660874} H10 4539 -1 1 {} H 0.0 {0.344105 0.36888 0.645424} H11 4540 -1 1 {} H 0.0 {0.338044 0.361069 0.633278} H12 4541 -1 1 {} H 0.0 {0.368326 0.329914 0.642448} H13 4542 -1 1 {} H 0.0 {0.351166 0.329104 0.639694} H14 4543 -1 1 {} H 0.0 {0.366116 0.316325 0.571272} H15 4544 -1 1 {} H 0.0 {0.430531 0.33839 0.595479} H16 4545 -1 1 {} H 0.0 {0.43489 0.336387 0.578123} H17 4546 -1 1 {} H 0.0 {0.432034 0.316752 0.589054} H18 4547 -1 1 {} H 0.0 {0.378896 0.32644 0.561615} H19 4548 -1 1 {} H 0.0 {0.395946 0.371198 0.626356} H20 4549 -1 1 {} H 0.0 {0.401964 0.364767 0.639834} H21 4550 -1 1 {} H 0.0 {0.532582 0.612765 0.28903} H22 4551 -1 14 {} Si 0.0 {0.479653 0.466246 0.520284} Si1 4552 -1 8 {} O 0.0 {0.490305 0.457584 0.527158} O1 4553 -1 14 {} Si 0.0 {0.491912 0.443416 0.53263} Si2 4554 -1 8 {} O 0.0 {0.47691 0.44031 0.537442} O2 4555 -1 14 {} Si 0.0 {0.467745 0.430503 0.545377} Si3 4556 -1 7 {} N 0.0 {0.474872 0.413004 0.549791} N1 4557 -1 14 {} Si 0.0 {0.488527 0.40833 0.541033} Si4 4558 -1 14 {} Si 0.0 {0.468226 0.401244 0.558795} Si5 4559 -1 7 {} N 0.0 {0.484761 0.403114 0.523196} N2 4560 -1 7 {} N 0.0 {0.500726 0.395469 0.548386} N3 4561 -1 7 {} N 0.0 {0.500178 0.424507 0.540798} N4 4562 -1 7 {} N 0.0 {0.476123 0.40278 0.576608} N5 4563 -1 7 {} N 0.0 {0.449279 0.403814 0.560355} N6 4564 -1 7 {} N 0.0 {0.469582 0.383122 0.553044} N7 4565 -1 8 {} O 0.0 {0.491366 0.483807 0.514269} O3 4566 -1 6 {} C 0.0 {0.462634 0.468881 0.527292} C1 4567 -1 8 {} O 0.0 {0.482626 0.459546 0.506428} O4 4568 -1 7 {} N 0.0 {0.453837 0.425451 0.532843} N8 4569 -1 8 {} O 0.0 {0.46366 0.441322 0.555226} O5 4570 -1 1 {} H 0.0 {0.500934 0.447119 0.549282} H1 4571 -1 1 {} H 0.0 {0.495477 0.434205 0.519696} H2 4572 -1 1 {} H 0.0 {0.490833 0.395019 0.521248} H3 4573 -1 1 {} H 0.0 {0.475286 0.399415 0.523809} H4 4574 -1 1 {} H 0.0 {0.50298 0.390422 0.540523} H5 4575 -1 1 {} H 0.0 {0.494003 0.389339 0.553533} H6 4576 -1 1 {} H 0.0 {0.499325 0.425088 0.5507} H7 4577 -1 1 {} H 0.0 {0.50966 0.420876 0.539203} H8 4578 -1 1 {} H 0.0 {0.468207 0.400636 0.58258} H9 4579 -1 1 {} H 0.0 {0.481653 0.394235 0.576325} H10 4580 -1 1 {} H 0.0 {0.447081 0.403327 0.569776} H11 4581 -1 1 {} H 0.0 {0.448282 0.413342 0.557582} H12 4582 -1 1 {} H 0.0 {0.47288 0.379343 0.561681} H13 4583 -1 1 {} H 0.0 {0.459831 0.380901 0.552664} H14 4584 -1 1 {} H 0.0 {0.484145 0.488907 0.509939} H15 4585 -1 1 {} H 0.0 {0.458934 0.478697 0.525004} H16 4586 -1 1 {} H 0.0 {0.463853 0.46699 0.537758} H17 4587 -1 1 {} H 0.0 {0.455699 0.461312 0.523645} H18 4588 -1 1 {} H 0.0 {0.440019 0.441971 0.534151} H19 4589 -1 1 {} H 0.0 {0.45782 0.429108 0.524109} H20 4590 -1 1 {} H 0.0 {0.453388 0.415453 0.532355} H21 4591 -1 1 {} H 0.0 {0.471305 0.349015 0.55394} H22 4592 -1 14 {} Si 0.0 {0.328105 0.738333 0.637581} Si1 4593 -1 8 {} O 0.0 {0.337443 0.730712 0.64796} O1 4594 -1 14 {} Si 0.0 {0.345948 0.717427 0.647601} Si2 4595 -1 8 {} O 0.0 {0.482174 0.657486 0.310412} O2 4596 -1 14 {} Si 0.0 {0.467678 0.661463 0.316142} Si3 4597 -1 7 {} N 0.0 {0.454833 0.674344 0.306466} N1 4598 -1 14 {} Si 0.0 {0.470807 0.678931 0.295187} Si4 4599 -1 14 {} Si 0.0 {0.450801 0.689546 0.303469} Si5 4600 -1 7 {} N 0.0 {0.466947 0.67794 0.279585} N2 4601 -1 7 {} N 0.0 {0.289578 0.613246 0.552047} N3 4602 -1 7 {} N 0.0 {0.363352 0.717767 0.648855} N4 4603 -1 7 {} N 0.0 {0.436371 0.691729 0.294882} N5 4604 -1 7 {} N 0.0 {0.451686 0.700403 0.322461} N6 4605 -1 7 {} N 0.0 {0.60817 0.608277 0.30762} N7 4606 -1 8 {} O 0.0 {0.339763 0.756001 0.633021} O3 4607 -1 6 {} C 0.0 {0.310221 0.735357 0.633432} C1 4608 -1 8 {} O 0.0 {0.341129 0.667332 0.616841} O4 4609 -1 7 {} N 0.0 {0.469335 0.667425 0.334489} N8 4610 -1 8 {} O 0.0 {0.461685 0.648661 0.308092} O5 4611 -1 1 {} H 0.0 {0.393044 0.672212 0.647327} H1 4612 -1 1 {} H 0.0 {0.398089 0.651039 0.605267} H2 4613 -1 1 {} H 0.0 {0.446999 0.276932 0.331807} H3 4614 -1 1 {} H 0.0 {0.456989 0.679399 0.278885} H4 4615 -1 1 {} H 0.0 {0.606875 0.598453 0.308242} H5 4616 -1 1 {} H 0.0 {0.28432 0.610703 0.559971} H6 4617 -1 1 {} H 0.0 {0.366123 0.71388 0.657884} H7 4618 -1 1 {} H 0.0 {0.367614 0.727081 0.648097} H8 4619 -1 1 {} H 0.0 {0.438135 0.688132 0.284875} H9 4620 -1 1 {} H 0.0 {0.428076 0.687723 0.299611} H10 4621 -1 1 {} H 0.0 {0.460619 0.704738 0.320413} H11 4622 -1 1 {} H 0.0 {0.454601 0.69191 0.327837} H12 4623 -1 1 {} H 0.0 {0.613565 0.610393 0.315903} H13 4624 -1 1 {} H 0.0 {0.599087 0.612805 0.307684} H14 4625 -1 1 {} H 0.0 {0.34878 0.753799 0.63751} H15 4626 -1 1 {} H 0.0 {0.309754 0.728241 0.625319} H16 4627 -1 1 {} H 0.0 {0.306511 0.74514 0.631323} H17 4628 -1 1 {} H 0.0 {0.306233 0.731163 0.642491} H18 4629 -1 1 {} H 0.0 {0.340467 0.676645 0.613488} H19 4630 -1 1 {} H 0.0 {0.47751 0.673382 0.334657} H20 4631 -1 1 {} H 0.0 {0.47239 0.658684 0.33903} H21 4632 -1 1 {} H 0.0 {0.460146 0.641264 0.31431} H22 4633 -1 14 {} Si 0.0 {0.695526 0.477602 0.33266} Si1 4634 -1 8 {} O 0.0 {0.694793 0.492493 0.337077} O1 4635 -1 14 {} Si 0.0 {0.60461 0.46897 0.680453} Si2 4636 -1 8 {} O 0.0 {0.615956 0.4577 0.676733} O2 4637 -1 14 {} Si 0.0 {0.70439 0.374551 0.378248} Si3 4638 -1 7 {} N 0.0 {0.582198 0.434988 0.624366} N1 4639 -1 14 {} Si 0.0 {0.630562 0.456568 0.670453} Si4 4640 -1 14 {} Si 0.0 {0.578739 0.439169 0.643339} Si5 4641 -1 7 {} N 0.0 {0.714271 0.467574 0.394785} N2 4642 -1 7 {} N 0.0 {0.350464 0.402323 0.69563} N3 4643 -1 7 {} N 0.0 {0.457996 0.285889 0.377465} N4 4644 -1 7 {} N 0.0 {0.351888 0.326704 0.426492} N5 4645 -1 7 {} N 0.0 {0.570161 0.455544 0.642186} N6 4646 -1 7 {} N 0.0 {0.595391 0.441954 0.650275} N7 4647 -1 8 {} O 0.0 {0.680204 0.474104 0.333851} O3 4648 -1 6 {} C 0.0 {0.707714 0.467774 0.332155} C1 4649 -1 8 {} O 0.0 {0.706523 0.499951 0.363525} O4 4650 -1 7 {} N 0.0 {0.669099 0.488971 0.613635} N8 4651 -1 8 {} O 0.0 {0.694001 0.381172 0.368624} O5 4652 -1 1 {} H 0.0 {0.611598 0.48277 0.683263} H1 4653 -1 1 {} H 0.0 {0.596222 0.471307 0.665928} H2 4654 -1 1 {} H 0.0 {0.716465 0.457381 0.396364} H3 4655 -1 1 {} H 0.0 {0.72354 0.470251 0.391733} H4 4656 -1 1 {} H 0.0 {0.341325 0.398084 0.692735} H5 4657 -1 1 {} H 0.0 {0.347407 0.410745 0.700164} H6 4658 -1 1 {} H 0.0 {0.714892 0.352574 0.405363} H7 4659 -1 1 {} H 0.0 {0.542839 0.69332 0.624774} H8 4660 -1 1 {} H 0.0 {0.345288 0.333028 0.431667} H9 4661 -1 1 {} H 0.0 {0.3576 0.322859 0.433953} H10 4662 -1 1 {} H 0.0 {0.575271 0.461026 0.634986} H11 4663 -1 1 {} H 0.0 {0.56141 0.452993 0.63729} H12 4664 -1 1 {} H 0.0 {0.600124 0.433896 0.64592} H13 4665 -1 1 {} H 0.0 {0.593548 0.439943 0.659998} H14 4666 -1 1 {} H 0.0 {0.679692 0.466738 0.340489} H15 4667 -1 1 {} H 0.0 {0.709924 0.462643 0.322916} H16 4668 -1 1 {} H 0.0 {0.69293 0.465315 0.383518} H17 4669 -1 1 {} H 0.0 {0.713343 0.466262 0.340297} H18 4670 -1 1 {} H 0.0 {0.698877 0.493385 0.345919} H19 4671 -1 1 {} H 0.0 {0.66464 0.481755 0.618956} H20 4672 -1 1 {} H 0.0 {0.590395 0.322031 0.67315} H21 4673 -1 1 {} H 0.0 {0.685726 0.383699 0.372933} H22 4674 -1 14 {} Si 0.0 {0.696458 0.454092 0.489643} Si1 4675 -1 8 {} O 0.0 {0.686961 0.443753 0.496437} O1 4676 -1 14 {} Si 0.0 {0.682056 0.437461 0.510322} Si2 4677 -1 8 {} O 0.0 {0.68577 0.422414 0.509928} O2 4678 -1 14 {} Si 0.0 {0.698207 0.413492 0.507332} Si3 4679 -1 7 {} N 0.0 {0.705991 0.406518 0.519295} N1 4680 -1 14 {} Si 0.0 {0.706199 0.39495 0.530448} Si4 4681 -1 14 {} Si 0.0 {0.959687 0.665642 0.502422} Si5 4682 -1 7 {} N 0.0 {0.690257 0.38561 0.52982} N2 4683 -1 7 {} N 0.0 {0.707074 0.401117 0.546344} N3 4684 -1 7 {} N 0.0 {0.720994 0.38047 0.524793} N4 4685 -1 7 {} N 0.0 {0.3331 0.559937 0.528264} N5 4686 -1 7 {} N 0.0 {0.945039 0.660521 0.503093} N6 4687 -1 7 {} N 0.0 {0.604348 0.540817 0.673786} N7 4688 -1 8 {} O 0.0 {0.67951 0.464748 0.483793} O3 4689 -1 6 {} C 0.0 {0.710085 0.448531 0.478303} C1 4690 -1 8 {} O 0.0 {0.697852 0.463214 0.50233} O4 4691 -1 7 {} N 0.0 {0.391766 0.499598 0.328237} N8 4692 -1 8 {} O 0.0 {0.700132 0.417198 0.492122} O5 4693 -1 1 {} H 0.0 {0.663039 0.441906 0.511671} H1 4694 -1 1 {} H 0.0 {0.595977 0.535578 0.676649} H2 4695 -1 1 {} H 0.0 {0.685482 0.391172 0.537395} H3 4696 -1 1 {} H 0.0 {0.692014 0.376048 0.533472} H4 4697 -1 1 {} H 0.0 {0.69716 0.402677 0.548742} H5 4698 -1 1 {} H 0.0 {0.710861 0.410925 0.543519} H6 4699 -1 1 {} H 0.0 {0.717143 0.371076 0.527089} H7 4700 -1 1 {} H 0.0 {0.726301 0.383499 0.533431} H8 4701 -1 1 {} H 0.0 {0.327971 0.566422 0.534357} H9 4702 -1 1 {} H 0.0 {0.331668 0.563137 0.519001} H10 4703 -1 1 {} H 0.0 {0.941067 0.652405 0.498259} H11 4704 -1 1 {} H 0.0 {0.71233 0.652673 0.415764} H12 4705 -1 1 {} H 0.0 {0.338274 0.486661 0.413507} H13 4706 -1 1 {} H 0.0 {0.600575 0.548016 0.667402} H14 4707 -1 1 {} H 0.0 {0.675688 0.468916 0.492365} H15 4708 -1 1 {} H 0.0 {0.705819 0.443531 0.470135} H16 4709 -1 1 {} H 0.0 {0.717794 0.442881 0.483055} H17 4710 -1 1 {} H 0.0 {0.71477 0.457815 0.474741} H18 4711 -1 1 {} H 0.0 {0.691809 0.470698 0.502105} H19 4712 -1 1 {} H 0.0 {0.383014 0.503891 0.325287} H20 4713 -1 1 {} H 0.0 {0.397701 0.507119 0.330354} H21 4714 -1 1 {} H 0.0 {0.697229 0.426305 0.490484} H22 4715 -1 14 {} Si 0.0 {0.405221 0.703349 0.486361} Si1 4716 -1 8 {} O 0.0 {0.367042 0.316736 0.561762} O1 4717 -1 14 {} Si 0.0 {0.412944 0.688832 0.50721} Si2 4718 -1 8 {} O 0.0 {0.404135 0.327221 0.571095} O2 4719 -1 14 {} Si 0.0 {0.400181 0.326632 0.555802} Si3 4720 -1 7 {} N 0.0 {0.402648 0.31243 0.501541} N1 4721 -1 14 {} Si 0.0 {0.39321 0.325661 0.50152} Si4 4722 -1 14 {} Si 0.0 {0.402865 0.297542 0.507722} Si5 4723 -1 7 {} N 0.0 {0.352617 0.675655 0.425288} N2 4724 -1 7 {} N 0.0 {0.3317 0.661629 0.45328} N3 4725 -1 7 {} N 0.0 {0.377694 0.322318 0.502969} N4 4726 -1 7 {} N 0.0 {0.410547 0.286136 0.495205} N5 4727 -1 7 {} N 0.0 {0.412291 0.297256 0.5226} N6 4728 -1 7 {} N 0.0 {0.384582 0.29143 0.511711} N7 4729 -1 8 {} O 0.0 {0.415387 0.694339 0.47889} O3 4730 -1 6 {} C 0.0 {0.403698 0.72001 0.488688} C1 4731 -1 8 {} O 0.0 {0.388639 0.707351 0.510252} O4 4732 -1 7 {} N 0.0 {0.399193 0.31041 0.548747} N8 4733 -1 8 {} O 0.0 {0.341659 0.685045 0.437217} O5 4734 -1 1 {} H 0.0 {0.399238 0.698609 0.508313} H1 4735 -1 1 {} H 0.0 {0.420457 0.687487 0.493217} H2 4736 -1 1 {} H 0.0 {0.347206 0.670948 0.417957} H3 4737 -1 1 {} H 0.0 {0.36013 0.681061 0.420956} H4 4738 -1 1 {} H 0.0 {0.323828 0.662759 0.459307} H5 4739 -1 1 {} H 0.0 {0.329518 0.653642 0.447168} H6 4740 -1 1 {} H 0.0 {0.375512 0.31241 0.501189} H7 4741 -1 1 {} H 0.0 {0.444396 0.700194 0.449932} H8 4742 -1 1 {} H 0.0 {0.402289 0.28542 0.489319} H9 4743 -1 1 {} H 0.0 {0.416992 0.292838 0.490871} H10 4744 -1 1 {} H 0.0 {0.41585 0.306977 0.524129} H11 4745 -1 1 {} H 0.0 {0.403745 0.297556 0.528488} H12 4746 -1 1 {} H 0.0 {0.380385 0.291922 0.502478} H13 4747 -1 1 {} H 0.0 {0.381749 0.299037 0.517781} H14 4748 -1 1 {} H 0.0 {0.33671 0.67813 0.441959} H15 4749 -1 1 {} H 0.0 {0.365607 0.337594 0.52137} H16 4750 -1 1 {} H 0.0 {0.577327 0.397432 0.706085} H17 4751 -1 1 {} H 0.0 {0.39912 0.728865 0.491577} H18 4752 -1 1 {} H 0.0 {0.390325 0.710457 0.519419} H19 4753 -1 1 {} H 0.0 {0.390399 0.305558 0.552562} H20 4754 -1 1 {} H 0.0 {0.406791 0.305055 0.552541} H21 4755 -1 1 {} H 0.0 {0.347455 0.689014 0.443946} H22 4756 -1 14 {} Si 0.0 {0.577304 0.698452 0.500033} Si1 4757 -1 8 {} O 0.0 {0.551952 0.66771 0.603981} O1 4758 -1 14 {} Si 0.0 {0.560894 0.675171 0.593455} Si2 4759 -1 8 {} O 0.0 {0.568839 0.659096 0.582732} O2 4760 -1 14 {} Si 0.0 {0.552333 0.661021 0.569878} Si3 4761 -1 7 {} N 0.0 {0.542044 0.675815 0.564553} N1 4762 -1 14 {} Si 0.0 {0.549437 0.690405 0.566809} Si4 4763 -1 14 {} Si 0.0 {0.529562 0.677142 0.55338} Si5 4764 -1 7 {} N 0.0 {0.558939 0.688452 0.584036} N2 4765 -1 7 {} N 0.0 {0.535914 0.70372 0.570284} N3 4766 -1 7 {} N 0.0 {0.561715 0.695921 0.552745} N4 4767 -1 7 {} N 0.0 {0.526257 0.659215 0.546856} N5 4768 -1 7 {} N 0.0 {0.512938 0.682545 0.563439} N6 4769 -1 7 {} N 0.0 {0.449945 0.706966 0.480481} N7 4770 -1 8 {} O 0.0 {0.582241 0.713335 0.497051} O3 4771 -1 6 {} C 0.0 {0.584786 0.68321 0.495005} C1 4772 -1 8 {} O 0.0 {0.569646 0.700759 0.514056} O4 4773 -1 7 {} N 0.0 {0.541745 0.646217 0.570502} N8 4774 -1 8 {} O 0.0 {0.564248 0.661999 0.559156} O5 4775 -1 1 {} H 0.0 {0.575003 0.663468 0.576622} H1 4776 -1 1 {} H 0.0 {0.542547 0.66709 0.599993} H2 4777 -1 1 {} H 0.0 {0.351887 0.73941 0.536241} H3 4778 -1 1 {} H 0.0 {0.573373 0.658095 0.62093} H4 4779 -1 1 {} H 0.0 {0.531934 0.702386 0.561256} H5 4780 -1 1 {} H 0.0 {0.5288 0.69962 0.576416} H6 4781 -1 1 {} H 0.0 {0.55827 0.689552 0.5455} H7 4782 -1 1 {} H 0.0 {0.556822 0.704196 0.549181} H8 4783 -1 1 {} H 0.0 {0.529228 0.654089 0.555244} H9 4784 -1 1 {} H 0.0 {0.532585 0.657391 0.539275} H10 4785 -1 1 {} H 0.0 {0.509344 0.673489 0.565107} H11 4786 -1 1 {} H 0.0 {0.506872 0.685938 0.555213} H12 4787 -1 1 {} H 0.0 {0.453618 0.697389 0.481857} H13 4788 -1 1 {} H 0.0 {0.444688 0.709622 0.489025} H14 4789 -1 1 {} H 0.0 {0.588575 0.71297 0.489489} H15 4790 -1 1 {} H 0.0 {0.58191 0.680471 0.485548} H16 4791 -1 1 {} H 0.0 {0.58053 0.675801 0.502006} H17 4792 -1 1 {} H 0.0 {0.581831 0.696333 0.54194} H18 4793 -1 1 {} H 0.0 {0.58486 0.69788 0.526735} H19 4794 -1 1 {} H 0.0 {0.547182 0.639038 0.565278} H20 4795 -1 1 {} H 0.0 {0.541138 0.641129 0.57976} H21 4796 -1 1 {} H 0.0 {0.567172 0.671684 0.557741} H22 4797 -1 14 {} Si 0.0 {0.466626 0.634159 0.473281} Si1 4798 -1 8 {} O 0.0 {0.467794 0.628077 0.487191} O1 4799 -1 14 {} Si 0.0 {0.458771 0.628318 0.499825} Si2 4800 -1 8 {} O 0.0 {0.463819 0.605797 0.516255} O2 4801 -1 14 {} Si 0.0 {0.474771 0.616649 0.51423} Si3 4802 -1 7 {} N 0.0 {0.481275 0.624596 0.526688} N1 4803 -1 14 {} Si 0.0 {0.494494 0.629943 0.533385} Si4 4804 -1 14 {} Si 0.0 {0.43479 0.685048 0.567982} Si5 4805 -1 7 {} N 0.0 {0.450855 0.685867 0.564429} N2 4806 -1 7 {} N 0.0 {0.5098 0.62676 0.521926} N3 4807 -1 7 {} N 0.0 {0.491745 0.648312 0.536794} N4 4808 -1 7 {} N 0.0 {0.271902 0.676162 0.530531} N5 4809 -1 7 {} N 0.0 {0.406196 0.673529 0.509131} N6 4810 -1 7 {} N 0.0 {0.420221 0.699185 0.569924} N7 4811 -1 8 {} O 0.0 {0.466683 0.621177 0.464839} O3 4812 -1 6 {} C 0.0 {0.467577 0.651185 0.469186} C1 4813 -1 8 {} O 0.0 {0.4935 0.605286 0.417196} O4 4814 -1 7 {} N 0.0 {0.489395 0.610323 0.50434} N8 4815 -1 8 {} O 0.0 {0.383398 0.620399 0.48916} O5 4816 -1 1 {} H 0.0 {0.381636 0.626498 0.481323} H1 4817 -1 1 {} H 0.0 {0.458398 0.640558 0.504838} H2 4818 -1 1 {} H 0.0 {0.358616 0.700523 0.611961} H3 4819 -1 1 {} H 0.0 {0.45393 0.692791 0.557987} H4 4820 -1 1 {} H 0.0 {0.505192 0.618602 0.51771} H5 4821 -1 1 {} H 0.0 {0.509419 0.634711 0.515785} H6 4822 -1 1 {} H 0.0 {0.493869 0.651729 0.527115} H7 4823 -1 1 {} H 0.0 {0.500086 0.649007 0.54257} H8 4824 -1 1 {} H 0.0 {0.487072 0.666622 0.628578} H9 4825 -1 1 {} H 0.0 {0.274722 0.666348 0.534618} H10 4826 -1 1 {} H 0.0 {0.399507 0.670614 0.516258} H11 4827 -1 1 {} H 0.0 {0.403172 0.67025 0.500067} H12 4828 -1 1 {} H 0.0 {0.420342 0.703117 0.560832} H13 4829 -1 1 {} H 0.0 {0.455215 0.630774 0.578997} H14 4830 -1 1 {} H 0.0 {0.458378 0.620241 0.4602} H15 4831 -1 1 {} H 0.0 {0.476853 0.654455 0.46543} H16 4832 -1 1 {} H 0.0 {0.466987 0.655492 0.478843} H17 4833 -1 1 {} H 0.0 {0.518496 0.650963 0.491755} H18 4834 -1 1 {} H 0.0 {0.501131 0.605486 0.411306} H19 4835 -1 1 {} H 0.0 {0.491702 0.618519 0.498229} H20 4836 -1 1 {} H 0.0 {0.482855 0.604613 0.498688} H21 4837 -1 1 {} H 0.0 {0.401855 0.701851 0.53812} H22 4838 -1 14 {} Si 0.0 {0.346584 0.396774 0.650945} Si1 4839 -1 8 {} O 0.0 {0.311902 0.546387 0.577884} O1 4840 -1 14 {} Si 0.0 {0.30703 0.571367 0.564015} Si2 4841 -1 8 {} O 0.0 {0.302321 0.563748 0.54597} O2 4842 -1 14 {} Si 0.0 {0.342897 0.502819 0.585938} Si3 4843 -1 7 {} N 0.0 {0.322413 0.409007 0.555391} N1 4844 -1 14 {} Si 0.0 {0.307007 0.407092 0.55456} Si4 4845 -1 14 {} Si 0.0 {0.325908 0.418958 0.567764} Si5 4846 -1 7 {} N 0.0 {0.337272 0.463336 0.578061} N2 4847 -1 7 {} N 0.0 {0.304315 0.407022 0.537642} N3 4848 -1 7 {} N 0.0 {0.355748 0.32313 0.592124} N4 4849 -1 7 {} N 0.0 {0.340195 0.429129 0.56024} N5 4850 -1 7 {} N 0.0 {0.310797 0.430947 0.572352} N6 4851 -1 7 {} N 0.0 {0.30962 0.659513 0.614268} N7 4852 -1 8 {} O 0.0 {0.360999 0.417781 0.620196} O3 4853 -1 6 {} C 0.0 {0.476024 0.455856 0.658228} C1 4854 -1 8 {} O 0.0 {0.400395 0.590712 0.290182} O4 4855 -1 7 {} N 0.0 {0.346911 0.506147 0.601332} N8 4856 -1 8 {} O 0.0 {0.373412 0.475806 0.56066} O5 4857 -1 1 {} H 0.0 {0.792967 0.535327 0.632519} H1 4858 -1 1 {} H 0.0 {0.794716 0.540459 0.626941} H2 4859 -1 1 {} H 0.0 {0.337471 0.458937 0.587531} H3 4860 -1 1 {} H 0.0 {0.340871 0.456296 0.571852} H4 4861 -1 1 {} H 0.0 {0.312779 0.41107 0.534501} H5 4862 -1 1 {} H 0.0 {0.303855 0.397239 0.533932} H6 4863 -1 1 {} H 0.0 {0.352103 0.330023 0.584728} H7 4864 -1 1 {} H 0.0 {0.346916 0.319784 0.596586} H8 4865 -1 1 {} H 0.0 {0.345939 0.423262 0.553737} H9 4866 -1 1 {} H 0.0 {0.346093 0.430805 0.568709} H10 4867 -1 1 {} H 0.0 {0.309877 0.435735 0.581341} H11 4868 -1 1 {} H 0.0 {0.310521 0.438614 0.565956} H12 4869 -1 1 {} H 0.0 {0.307554 0.661693 0.624263} H13 4870 -1 1 {} H 0.0 {0.306289 0.667421 0.608758} H14 4871 -1 1 {} H 0.0 {0.412488 0.462168 0.274323} H15 4872 -1 1 {} H 0.0 {0.938836 0.6541 0.799923} H16 4873 -1 1 {} H 0.0 {0.685432 0.63642 0.420675} H17 4874 -1 1 {} H 0.0 {0.879359 0.726238 0.624876} H18 4875 -1 1 {} H 0.0 {0.407984 0.594364 0.285072} H19 4876 -1 1 {} H 0.0 {0.522457 0.703726 0.528776} H20 4877 -1 1 {} H 0.0 {0.305104 0.624015 0.538649} H21 4878 -1 1 {} H 0.0 {0.379402 0.482714 0.558064} H22 4879 -1 14 {} Si 0.0 {0.637163 0.333895 0.357404} Si1 4880 -1 8 {} O 0.0 {0.652043 0.338612 0.353736} O1 4881 -1 14 {} Si 0.0 {0.666067 0.346544 0.355662} Si2 4882 -1 8 {} O 0.0 {0.658968 0.360427 0.359163} O2 4883 -1 14 {} Si 0.0 {0.65513 0.372211 0.369276} Si3 4884 -1 7 {} N 0.0 {0.639026 0.375867 0.368989} N1 4885 -1 14 {} Si 0.0 {0.638256 0.385255 0.354414} Si4 4886 -1 14 {} Si 0.0 {0.626508 0.37275 0.378617} Si5 4887 -1 7 {} N 0.0 {0.653666 0.397078 0.350933} N2 4888 -1 7 {} N 0.0 {0.623562 0.397703 0.356528} N3 4889 -1 7 {} N 0.0 {0.633789 0.374082 0.338489} N4 4890 -1 7 {} N 0.0 {0.629856 0.359488 0.392484} N5 4891 -1 7 {} N 0.0 {0.620579 0.388084 0.389075} N6 4892 -1 7 {} N 0.0 {0.61161 0.368072 0.366335} N7 4893 -1 8 {} O 0.0 {0.638012 0.336522 0.373698} O3 4894 -1 6 {} C 0.0 {0.614418 0.368813 0.451142} C1 4895 -1 8 {} O 0.0 {0.560093 0.395159 0.304042} O4 4896 -1 7 {} N 0.0 {0.66604 0.385135 0.378984} N8 4897 -1 8 {} O 0.0 {0.647394 0.369425 0.454686} O5 4898 -1 1 {} H 0.0 {0.621595 0.412851 0.343356} H1 4899 -1 1 {} H 0.0 {0.669998 0.347801 0.34104} H2 4900 -1 1 {} H 0.0 {0.649168 0.405907 0.353053} H3 4901 -1 1 {} H 0.0 {0.652689 0.396484 0.340867} H4 4902 -1 1 {} H 0.0 {0.61621 0.392543 0.352155} H5 4903 -1 1 {} H 0.0 {0.621701 0.396263 0.366271} H6 4904 -1 1 {} H 0.0 {0.64338 0.372121 0.335337} H7 4905 -1 1 {} H 0.0 {0.62953 0.366199 0.343966} H8 4906 -1 1 {} H 0.0 {0.621104 0.357363 0.397054} H9 4907 -1 1 {} H 0.0 {0.631448 0.35179 0.386228} H10 4908 -1 1 {} H 0.0 {0.624013 0.3839 0.398155} H11 4909 -1 1 {} H 0.0 {0.610441 0.386864 0.389386} H12 4910 -1 1 {} H 0.0 {0.614634 0.358643 0.364555} H13 4911 -1 1 {} H 0.0 {0.61213 0.373053 0.357633} H14 4912 -1 1 {} H 0.0 {0.469183 0.319931 0.399051} H15 4913 -1 1 {} H 0.0 {0.60466 0.365489 0.453899} H16 4914 -1 1 {} H 0.0 {0.62141 0.367774 0.459141} H17 4915 -1 1 {} H 0.0 {0.639156 0.355594 0.357174} H18 4916 -1 1 {} H 0.0 {0.557024 0.400282 0.312214} H19 4917 -1 1 {} H 0.0 {0.662859 0.384021 0.388428} H20 4918 -1 1 {} H 0.0 {0.662053 0.394143 0.375673} H21 4919 -1 1 {} H 0.0 {0.656824 0.366326 0.454282} H22 4920 -1 14 {} Si 0.0 {0.453526 0.566952 0.296988} Si1 4921 -1 8 {} O 0.0 {0.4879 0.614644 0.336106} O1 4922 -1 14 {} Si 0.0 {0.451382 0.551357 0.318113} Si2 4923 -1 8 {} O 0.0 {0.46299 0.56151 0.322179} O2 4924 -1 14 {} Si 0.0 {0.503441 0.552973 0.321001} Si3 4925 -1 7 {} N 0.0 {0.503825 0.569114 0.320476} N1 4926 -1 14 {} Si 0.0 {0.503469 0.57677 0.306532} Si4 4927 -1 14 {} Si 0.0 {0.459882 0.541307 0.290805} Si5 4928 -1 7 {} N 0.0 {0.49027 0.590089 0.306898} N2 4929 -1 7 {} N 0.0 {0.584185 0.51805 0.30574} N3 4930 -1 7 {} N 0.0 {0.497976 0.566708 0.291264} N4 4931 -1 7 {} N 0.0 {0.463286 0.559454 0.285323} N5 4932 -1 7 {} N 0.0 {0.527412 0.464588 0.303367} N6 4933 -1 7 {} N 0.0 {0.476926 0.531438 0.290298} N7 4934 -1 8 {} O 0.0 {0.437576 0.566374 0.296435} O3 4935 -1 6 {} C 0.0 {0.381924 0.619019 0.287104} C1 4936 -1 8 {} O 0.0 {0.444999 0.610295 0.354824} O4 4937 -1 7 {} N 0.0 {0.486358 0.544083 0.320363} N8 4938 -1 8 {} O 0.0 {0.513618 0.540232 0.310031} O5 4939 -1 1 {} H 0.0 {0.454875 0.545979 0.304229} H1 4940 -1 1 {} H 0.0 {0.454725 0.539823 0.325736} H2 4941 -1 1 {} H 0.0 {0.489156 0.592258 0.317058} H3 4942 -1 1 {} H 0.0 {0.482047 0.584618 0.305641} H4 4943 -1 1 {} H 0.0 {0.620665 0.415861 0.681023} H5 4944 -1 1 {} H 0.0 {0.579588 0.526601 0.302925} H6 4945 -1 1 {} H 0.0 {0.497699 0.574106 0.284495} H7 4946 -1 1 {} H 0.0 {0.488478 0.564122 0.292828} H8 4947 -1 1 {} H 0.0 {0.45763 0.559607 0.27645} H9 4948 -1 1 {} H 0.0 {0.468813 0.642073 0.33948} H10 4949 -1 1 {} H 0.0 {0.534766 0.457678 0.302628} H11 4950 -1 1 {} H 0.0 {0.525626 0.465724 0.313604} H12 4951 -1 1 {} H 0.0 {0.478913 0.533715 0.300143} H13 4952 -1 1 {} H 0.0 {0.481832 0.537657 0.284271} H14 4953 -1 1 {} H 0.0 {0.435098 0.56095 0.304182} H15 4954 -1 1 {} H 0.0 {0.456934 0.582977 0.301569} H16 4955 -1 1 {} H 0.0 {0.458604 0.56976 0.326726} H17 4956 -1 1 {} H 0.0 {0.383586 0.611383 0.279774} H18 4957 -1 1 {} H 0.0 {0.496916 0.619441 0.335027} H19 4958 -1 1 {} H 0.0 {0.487827 0.536595 0.32687} H20 4959 -1 1 {} H 0.0 {0.479871 0.551023 0.323994} H21 4960 -1 1 {} H 0.0 {0.518978 0.536001 0.31649} H22 4961 -1 14 {} Si 0.0 {0.60482 0.444871 0.485091} Si1 4962 -1 8 {} O 0.0 {0.609722 0.439437 0.470968} O1 4963 -1 14 {} Si 0.0 {0.558519 0.446819 0.457317} Si2 4964 -1 8 {} O 0.0 {0.551128 0.431281 0.449305} O2 4965 -1 14 {} Si 0.0 {0.540727 0.441519 0.444786} Si3 4966 -1 7 {} N 0.0 {0.551329 0.458162 0.448869} N1 4967 -1 14 {} Si 0.0 {0.54408 0.473125 0.450006} Si4 4968 -1 14 {} Si 0.0 {0.567627 0.458027 0.438567} Si5 4969 -1 7 {} N 0.0 {0.555758 0.487775 0.452278} N2 4970 -1 7 {} N 0.0 {0.532646 0.471952 0.466332} N3 4971 -1 7 {} N 0.0 {0.531971 0.476502 0.434841} N4 4972 -1 7 {} N 0.0 {0.582713 0.467926 0.446274} N5 4973 -1 7 {} N 0.0 {0.574278 0.441695 0.430078} N6 4974 -1 7 {} N 0.0 {0.562403 0.467176 0.423005} N7 4975 -1 8 {} O 0.0 {0.611959 0.432395 0.493556} O3 4976 -1 6 {} C 0.0 {0.589727 0.451528 0.487565} C1 4977 -1 8 {} O 0.0 {0.621802 0.458081 0.48746} O4 4978 -1 7 {} N 0.0 {0.525055 0.442667 0.456669} N8 4979 -1 8 {} O 0.0 {0.605954 0.439641 0.440976} O5 4980 -1 1 {} H 0.0 {0.567882 0.451602 0.403436} H1 4981 -1 1 {} H 0.0 {0.679426 0.451795 0.455725} H2 4982 -1 1 {} H 0.0 {0.550208 0.495138 0.456123} H3 4983 -1 1 {} H 0.0 {0.563096 0.485441 0.459118} H4 4984 -1 1 {} H 0.0 {0.524669 0.475426 0.462391} H5 4985 -1 1 {} H 0.0 {0.532147 0.461908 0.467108} H6 4986 -1 1 {} H 0.0 {0.533313 0.486899 0.435132} H7 4987 -1 1 {} H 0.0 {0.522166 0.474601 0.43845} H8 4988 -1 1 {} H 0.0 {0.578659 0.476339 0.450115} H9 4989 -1 1 {} H 0.0 {0.588827 0.470903 0.438429} H10 4990 -1 1 {} H 0.0 {0.581945 0.445107 0.423906} H11 4991 -1 1 {} H 0.0 {0.567328 0.44057 0.42275} H12 4992 -1 1 {} H 0.0 {0.564358 0.477028 0.426104} H13 4993 -1 1 {} H 0.0 {0.552476 0.465257 0.421802} H14 4994 -1 1 {} H 0.0 {0.616454 0.42739 0.486718} H15 4995 -1 1 {} H 0.0 {0.58218 0.409819 0.498847} H16 4996 -1 1 {} H 0.0 {0.583102 0.447142 0.49523} H17 4997 -1 1 {} H 0.0 {0.586988 0.46022 0.481912} H18 4998 -1 1 {} H 0.0 {0.621626 0.463103 0.478603} H19 4999 -1 1 {} H 0.0 {0.521788 0.433346 0.453995} H20 5000 -1 1 {} H 0.0 {0.517922 0.448658 0.452286} H21 5001 -1 1 {} H 0.0 {0.595651 0.440253 0.440258} H22 5002 -1 14 {} Si 0.0 {0.503595 0.625518 0.450929} Si1 5003 -1 8 {} O 0.0 {0.516619 0.622078 0.442568} O1 5004 -1 14 {} Si 0.0 {0.531876 0.621638 0.439807} Si2 5005 -1 8 {} O 0.0 {0.533535 0.632275 0.428856} O2 5006 -1 14 {} Si 0.0 {0.526555 0.644126 0.421979} Si3 5007 -1 7 {} N 0.0 {0.540282 0.653096 0.412571} N1 5008 -1 14 {} Si 0.0 {0.543336 0.648029 0.397163} Si4 5009 -1 14 {} Si 0.0 {0.55265 0.660834 0.419151} Si5 5010 -1 7 {} N 0.0 {0.554862 0.632066 0.395863} N2 5011 -1 7 {} N 0.0 {0.547504 0.662666 0.385847} N3 5012 -1 7 {} N 0.0 {0.524763 0.64385 0.388227} N4 5013 -1 7 {} N 0.0 {0.547303 0.67961 0.421856} N5 5014 -1 7 {} N 0.0 {0.554672 0.653806 0.437348} N6 5015 -1 7 {} N 0.0 {0.570191 0.662222 0.410269} N7 5016 -1 8 {} O 0.0 {0.508381 0.621587 0.465755} O3 5017 -1 6 {} C 0.0 {0.487084 0.617848 0.445405} C1 5018 -1 8 {} O 0.0 {0.505738 0.641214 0.453467} O4 5019 -1 7 {} N 0.0 {0.514556 0.655328 0.428157} N8 5020 -1 8 {} O 0.0 {0.511563 0.632363 0.412029} O5 5021 -1 1 {} H 0.0 {0.535829 0.605151 0.435619} H1 5022 -1 1 {} H 0.0 {0.540154 0.625454 0.451988} H2 5023 -1 1 {} H 0.0 {0.5636 0.63672 0.394761} H3 5024 -1 1 {} H 0.0 {0.552418 0.629188 0.386441} H4 5025 -1 1 {} H 0.0 {0.549782 0.669675 0.392401} H5 5026 -1 1 {} H 0.0 {0.55772 0.660786 0.382989} H6 5027 -1 1 {} H 0.0 {0.524149 0.652032 0.382122} H7 5028 -1 1 {} H 0.0 {0.519516 0.645873 0.397016} H8 5029 -1 1 {} H 0.0 {0.546178 0.679649 0.43181} H9 5030 -1 1 {} H 0.0 {0.537583 0.678349 0.418862} H10 5031 -1 1 {} H 0.0 {0.551089 0.660528 0.44385} H11 5032 -1 1 {} H 0.0 {0.54757 0.646359 0.436525} H12 5033 -1 1 {} H 0.0 {0.568331 0.656231 0.402741} H13 5034 -1 1 {} H 0.0 {0.577527 0.658338 0.41639} H14 5035 -1 1 {} H 0.0 {0.518236 0.620571 0.465272} H15 5036 -1 1 {} H 0.0 {0.48249 0.624986 0.438936} H16 5037 -1 1 {} H 0.0 {0.481287 0.615108 0.453844} H17 5038 -1 1 {} H 0.0 {0.489653 0.60826 0.440128} H18 5039 -1 1 {} H 0.0 {0.510132 0.641852 0.461968} H19 5040 -1 1 {} H 0.0 {0.51178 0.651625 0.437214} H20 5041 -1 1 {} H 0.0 {0.505943 0.654482 0.422228} H21 5042 -1 1 {} H 0.0 {0.50877 0.626849 0.420349} H22 5043 -1 14 {} Si 0.0 {0.441528 0.390974 0.459753} Si1 5044 -1 8 {} O 0.0 {0.403257 0.389805 0.440462} O1 5045 -1 14 {} Si 0.0 {0.398236 0.376551 0.446458} Si2 5046 -1 8 {} O 0.0 {0.395492 0.409907 0.450025} O2 5047 -1 14 {} Si 0.0 {0.385328 0.422297 0.450075} Si3 5048 -1 7 {} N 0.0 {0.377441 0.428945 0.46661} N1 5049 -1 14 {} Si 0.0 {0.364763 0.43101 0.476017} Si4 5050 -1 14 {} Si 0.0 {0.389041 0.426089 0.477477} Si5 5051 -1 7 {} N 0.0 {0.360752 0.450861 0.477894} N2 5052 -1 7 {} N 0.0 {0.349952 0.419851 0.477154} N3 5053 -1 7 {} N 0.0 {0.360974 0.385212 0.439939} N4 5054 -1 7 {} N 0.0 {0.388429 0.409001 0.487351} N5 5055 -1 7 {} N 0.0 {0.436029 0.48163 0.453322} N6 5056 -1 7 {} N 0.0 {0.395968 0.440142 0.488791} N7 5057 -1 8 {} O 0.0 {0.439336 0.384052 0.47479} O3 5058 -1 6 {} C 0.0 {0.425919 0.407157 0.449519} C1 5059 -1 8 {} O 0.0 {0.446244 0.377415 0.452395} O4 5060 -1 7 {} N 0.0 {0.369779 0.419589 0.436955} N8 5061 -1 8 {} O 0.0 {0.397782 0.431438 0.446541} O5 5062 -1 1 {} H 0.0 {0.407494 0.369006 0.456383} H1 5063 -1 1 {} H 0.0 {0.385002 0.377841 0.448017} H2 5064 -1 1 {} H 0.0 {0.367727 0.454443 0.484829} H3 5065 -1 1 {} H 0.0 {0.352094 0.449273 0.483283} H4 5066 -1 1 {} H 0.0 {0.343742 0.424029 0.483957} H5 5067 -1 1 {} H 0.0 {0.346185 0.422934 0.467766} H6 5068 -1 1 {} H 0.0 {0.35195 0.382623 0.444572} H7 5069 -1 1 {} H 0.0 {0.363818 0.394692 0.441969} H8 5070 -1 1 {} H 0.0 {0.381018 0.405477 0.481458} H9 5071 -1 1 {} H 0.0 {0.397022 0.404158 0.483244} H10 5072 -1 1 {} H 0.0 {0.4443 0.486984 0.450892} H11 5073 -1 1 {} H 0.0 {0.430322 0.482235 0.44533} H12 5074 -1 1 {} H 0.0 {0.388474 0.447025 0.48731} H13 5075 -1 1 {} H 0.0 {0.394918 0.436639 0.498672} H14 5076 -1 1 {} H 0.0 {0.441219 0.39063 0.482106} H15 5077 -1 1 {} H 0.0 {0.440704 0.403141 0.421152} H16 5078 -1 1 {} H 0.0 {0.426099 0.416135 0.454937} H17 5079 -1 1 {} H 0.0 {0.429316 0.407514 0.439063} H18 5080 -1 1 {} H 0.0 {0.449528 0.380188 0.443876} H19 5081 -1 1 {} H 0.0 {0.364218 0.415027 0.44425} H20 5082 -1 1 {} H 0.0 {0.367222 0.415874 0.427549} H21 5083 -1 1 {} H 0.0 {0.404775 0.432051 0.4537} H22 5084 -1 14 {} Si 0.0 {0.40438 0.669223 0.566078} Si1 5085 -1 8 {} O 0.0 {0.393171 0.677822 0.572956} O1 5086 -1 14 {} Si 0.0 {0.386984 0.686257 0.58513} Si2 5087 -1 8 {} O 0.0 {0.374812 0.693758 0.578294} O2 5088 -1 14 {} Si 0.0 {0.363795 0.704505 0.578192} Si3 5089 -1 7 {} N 0.0 {0.35895 0.70771 0.559184} N1 5090 -1 14 {} Si 0.0 {0.369822 0.71206 0.547485} Si4 5091 -1 14 {} Si 0.0 {0.344602 0.703455 0.551861} Si5 5092 -1 7 {} N 0.0 {0.380445 0.69792 0.541562} N2 5093 -1 7 {} N 0.0 {0.381105 0.72548 0.555482} N3 5094 -1 7 {} N 0.0 {0.362668 0.719709 0.531394} N4 5095 -1 7 {} N 0.0 {0.334586 0.690073 0.563599} N5 5096 -1 7 {} N 0.0 {0.33405 0.719375 0.549466} N6 5097 -1 7 {} N 0.0 {0.346202 0.691405 0.536118} N7 5098 -1 8 {} O 0.0 {0.417165 0.668618 0.582227} O3 5099 -1 6 {} C 0.0 {0.406065 0.673433 0.544487} C1 5100 -1 8 {} O 0.0 {0.3982 0.654775 0.567991} O4 5101 -1 7 {} N 0.0 {0.365368 0.721126 0.585486} N8 5102 -1 8 {} O 0.0 {0.35313 0.695387 0.586063} O5 5103 -1 1 {} H 0.0 {0.405499 0.696814 0.58491} H1 5104 -1 1 {} H 0.0 {0.380817 0.676627 0.59749} H2 5105 -1 1 {} H 0.0 {0.374941 0.694661 0.533566} H3 5106 -1 1 {} H 0.0 {0.378361 0.69127 0.548439} H4 5107 -1 1 {} H 0.0 {0.388707 0.726198 0.548283} H5 5108 -1 1 {} H 0.0 {0.385644 0.720558 0.562881} H6 5109 -1 1 {} H 0.0 {0.368568 0.71657 0.523053} H7 5110 -1 1 {} H 0.0 {0.365697 0.729174 0.532385} H8 5111 -1 1 {} H 0.0 {0.336047 0.681709 0.558243} H9 5112 -1 1 {} H 0.0 {0.325 0.692854 0.56161} H10 5113 -1 1 {} H 0.0 {0.33513 0.721076 0.539518} H11 5114 -1 1 {} H 0.0 {0.34114 0.725695 0.553244} H12 5115 -1 1 {} H 0.0 {0.336567 0.691053 0.533697} H13 5116 -1 1 {} H 0.0 {0.351272 0.698017 0.529737} H14 5117 -1 1 {} H 0.0 {0.418197 0.658566 0.583644} H15 5118 -1 1 {} H 0.0 {0.405846 0.683612 0.54323} H16 5119 -1 1 {} H 0.0 {0.397013 0.669807 0.540314} H17 5120 -1 1 {} H 0.0 {0.414449 0.667757 0.541174} H18 5121 -1 1 {} H 0.0 {0.405244 0.648524 0.570738} H19 5122 -1 1 {} H 0.0 {0.355566 0.723768 0.586652} H20 5123 -1 1 {} H 0.0 {0.368503 0.727026 0.5776} H21 5124 -1 1 {} H 0.0 {0.347335 0.69153 0.578888} H22 5125 -1 14 {} Si 0.0 {0.529394 0.332924 0.556358} Si1 5126 -1 8 {} O 0.0 {0.500502 0.329585 0.562795} O1 5127 -1 14 {} Si 0.0 {0.503534 0.339488 0.55131} Si2 5128 -1 8 {} O 0.0 {0.502683 0.331113 0.538232} O2 5129 -1 14 {} Si 0.0 {0.495109 0.318863 0.531183} Si3 5130 -1 7 {} N 0.0 {0.499082 0.316164 0.512243} N1 5131 -1 14 {} Si 0.0 {0.485101 0.306818 0.50305} Si4 5132 -1 14 {} Si 0.0 {0.51 0.323938 0.504017} Si5 5133 -1 7 {} N 0.0 {0.478501 0.295783 0.512332} N2 5134 -1 7 {} N 0.0 {0.491129 0.29654 0.487405} N3 5135 -1 7 {} N 0.0 {0.470851 0.318865 0.497742} N4 5136 -1 7 {} N 0.0 {0.527837 0.319792 0.510977} N5 5137 -1 7 {} N 0.0 {0.509374 0.323934 0.484787} N6 5138 -1 7 {} N 0.0 {0.508194 0.343943 0.509781} N7 5139 -1 8 {} O 0.0 {0.52848 0.32023 0.546173} O3 5140 -1 6 {} C 0.0 {0.532406 0.332502 0.572943} C1 5141 -1 8 {} O 0.0 {0.533468 0.344497 0.545759} O4 5142 -1 7 {} N 0.0 {0.476155 0.318143 0.531948} N8 5143 -1 8 {} O 0.0 {0.51591 0.289377 0.552645} O5 5144 -1 1 {} H 0.0 {0.504281 0.367574 0.553034} H1 5145 -1 1 {} H 0.0 {0.48872 0.347532 0.550215} H2 5146 -1 1 {} H 0.0 {0.557908 0.284953 0.471672} H3 5147 -1 1 {} H 0.0 {0.469306 0.293248 0.51127} H4 5148 -1 1 {} H 0.0 {0.500502 0.29968 0.489219} H5 5149 -1 1 {} H 0.0 {0.490136 0.28753 0.492238} H6 5150 -1 1 {} H 0.0 {0.463364 0.312538 0.4977} H7 5151 -1 1 {} H 0.0 {0.473739 0.321019 0.487992} H8 5152 -1 1 {} H 0.0 {0.526737 0.315243 0.51975} H9 5153 -1 1 {} H 0.0 {0.530992 0.329179 0.512774} H10 5154 -1 1 {} H 0.0 {0.501338 0.317609 0.483949} H11 5155 -1 1 {} H 0.0 {0.506677 0.333697 0.483387} H12 5156 -1 1 {} H 0.0 {0.512251 0.341499 0.519296} H13 5157 -1 1 {} H 0.0 {0.497377 0.34344 0.509446} H14 5158 -1 1 {} H 0.0 {0.518977 0.319069 0.544709} H15 5159 -1 1 {} H 0.0 {0.486105 0.414837 0.592589} H16 5160 -1 1 {} H 0.0 {0.529248 0.324004 0.578289} H17 5161 -1 1 {} H 0.0 {0.535767 0.341601 0.576985} H18 5162 -1 1 {} H 0.0 {0.538367 0.340384 0.538479} H19 5163 -1 1 {} H 0.0 {0.472633 0.316089 0.522622} H20 5164 -1 1 {} H 0.0 {0.472161 0.326825 0.535355} H21 5165 -1 1 {} H 0.0 {0.500642 0.320324 0.559219} H22 5166 -1 14 {} Si 0.0 {0.374311 0.656823 0.53008} Si1 5167 -1 8 {} O 0.0 {0.37576 0.650764 0.515996} O1 5168 -1 14 {} Si 0.0 {0.369492 0.643031 0.503848} Si2 5169 -1 8 {} O 0.0 {0.371382 0.655211 0.493142} O2 5170 -1 14 {} Si 0.0 {0.366283 0.664683 0.481942} Si3 5171 -1 7 {} N 0.0 {0.373106 0.675036 0.470443} N1 5172 -1 14 {} Si 0.0 {0.371214 0.693974 0.464581} Si4 5173 -1 14 {} Si 0.0 {0.332866 0.622239 0.446454} Si5 5174 -1 7 {} N 0.0 {0.376068 0.691422 0.445685} N2 5175 -1 7 {} N 0.0 {0.387454 0.696319 0.477058} N3 5176 -1 7 {} N 0.0 {0.370194 0.713494 0.462344} N4 5177 -1 7 {} N 0.0 {0.691754 0.403737 0.45739} N5 5178 -1 7 {} N 0.0 {0.611633 0.706808 0.343578} N6 5179 -1 7 {} N 0.0 {0.302344 0.654765 0.546741} N7 5180 -1 8 {} O 0.0 {0.381327 0.670499 0.524476} O3 5181 -1 6 {} C 0.0 {0.382289 0.64845 0.54491} C1 5182 -1 8 {} O 0.0 {0.355307 0.663495 0.529299} O4 5183 -1 7 {} N 0.0 {0.321009 0.575872 0.468439} N8 5184 -1 8 {} O 0.0 {0.352791 0.656241 0.478426} O5 5185 -1 1 {} H 0.0 {0.320184 0.644197 0.515091} H1 5186 -1 1 {} H 0.0 {0.378634 0.630541 0.499558} H2 5187 -1 1 {} H 0.0 {0.384385 0.684829 0.446258} H3 5188 -1 1 {} H 0.0 {0.368545 0.684714 0.44311} H4 5189 -1 1 {} H 0.0 {0.391705 0.687442 0.474751} H5 5190 -1 1 {} H 0.0 {0.381998 0.692915 0.485312} H6 5191 -1 1 {} H 0.0 {0.380086 0.715044 0.460769} H7 5192 -1 1 {} H 0.0 {0.366459 0.713175 0.452675} H8 5193 -1 1 {} H 0.0 {0.325053 0.628959 0.436215} H9 5194 -1 1 {} H 0.0 {0.691726 0.399178 0.467331} H10 5195 -1 1 {} H 0.0 {0.615956 0.697426 0.345817} H11 5196 -1 1 {} H 0.0 {0.601402 0.704917 0.345451} H12 5197 -1 1 {} H 0.0 {0.319718 0.6358 0.502773} H13 5198 -1 1 {} H 0.0 {0.261993 0.93438 0.0130761} H14 5199 -1 1 {} H 0.0 {0.374131 0.676351 0.520456} H15 5200 -1 1 {} H 0.0 {0.373811 0.644504 0.549558} H16 5201 -1 1 {} H 0.0 {0.387456 0.655041 0.551278} H17 5202 -1 1 {} H 0.0 {0.388114 0.64098 0.539031} H18 5203 -1 1 {} H 0.0 {0.354863 0.671505 0.534735} H19 5204 -1 1 {} H 0.0 {0.321505 0.571448 0.45885} H20 5205 -1 1 {} H 0.0 {0.312274 0.581726 0.468684} H21 5206 -1 1 {} H 0.0 {0.354848 0.646998 0.477845} H22 5207 -1 14 {} Si 0.0 {0.660598 0.651182 0.509357} Si1 5208 -1 8 {} O 0.0 {0.664991 0.663941 0.516636} O1 5209 -1 14 {} Si 0.0 {0.66192 0.674675 0.527607} Si2 5210 -1 8 {} O 0.0 {0.645936 0.678515 0.527711} O2 5211 -1 14 {} Si 0.0 {0.633693 0.687752 0.532514} Si3 5212 -1 7 {} N 0.0 {0.643349 0.628528 0.5538} N1 5213 -1 14 {} Si 0.0 {0.647006 0.617371 0.564322} Si4 5214 -1 14 {} Si 0.0 {0.633929 0.632491 0.541405} Si5 5215 -1 7 {} N 0.0 {0.666013 0.6184 0.568688} N2 5216 -1 7 {} N 0.0 {0.645149 0.599938 0.558456} N3 5217 -1 7 {} N 0.0 {0.637216 0.620378 0.580857} N4 5218 -1 7 {} N 0.0 {0.581842 0.600534 0.534357} N5 5219 -1 7 {} N 0.0 {0.630189 0.648982 0.539941} N6 5220 -1 7 {} N 0.0 {0.647981 0.544944 0.519771} N7 5221 -1 8 {} O 0.0 {0.659535 0.664891 0.622568} O3 5222 -1 6 {} C 0.0 {0.651795 0.649768 0.480697} C1 5223 -1 8 {} O 0.0 {0.66214 0.656748 0.493264} O4 5224 -1 7 {} N 0.0 {0.620349 0.698457 0.522741} N8 5225 -1 8 {} O 0.0 {0.640853 0.692351 0.543568} O5 5226 -1 1 {} H 0.0 {0.669445 0.685553 0.52475} H1 5227 -1 1 {} H 0.0 {0.665942 0.669882 0.543262} H2 5228 -1 1 {} H 0.0 {0.666747 0.610326 0.574509} H3 5229 -1 1 {} H 0.0 {0.669485 0.616014 0.559514} H4 5230 -1 1 {} H 0.0 {0.654321 0.596357 0.556308} H5 5231 -1 1 {} H 0.0 {0.642308 0.595606 0.567255} H6 5232 -1 1 {} H 0.0 {0.644553 0.616568 0.58667} H7 5233 -1 1 {} H 0.0 {0.638061 0.630191 0.580296} H8 5234 -1 1 {} H 0.0 {0.585577 0.598934 0.543848} H9 5235 -1 1 {} H 0.0 {0.576158 0.608652 0.535461} H10 5236 -1 1 {} H 0.0 {0.620252 0.617785 0.543469} H11 5237 -1 1 {} H 0.0 {0.629712 0.650397 0.529562} H12 5238 -1 1 {} H 0.0 {0.642517 0.541431 0.511735} H13 5239 -1 1 {} H 0.0 {0.641546 0.545279 0.527459} H14 5240 -1 1 {} H 0.0 {0.666921 0.660289 0.617697} H15 5241 -1 1 {} H 0.0 {0.641156 0.6475 0.483938} H16 5242 -1 1 {} H 0.0 {0.656226 0.641245 0.476798} H17 5243 -1 1 {} H 0.0 {0.651193 0.657462 0.47278} H18 5244 -1 1 {} H 0.0 {0.658968 0.66667 0.493405} H19 5245 -1 1 {} H 0.0 {0.623807 0.708253 0.522856} H20 5246 -1 1 {} H 0.0 {0.612166 0.69787 0.529165} H21 5247 -1 1 {} H 0.0 {0.977266 0.688756 0.556952} H22 5248 -1 14 {} Si 0.0 {0.687879 0.52472 0.324659} Si1 5249 -1 8 {} O 0.0 {0.684321 0.54773 0.310548} O1 5250 -1 14 {} Si 0.0 {0.679695 0.534481 0.304119} Si2 5251 -1 8 {} O 0.0 {0.538305 0.489397 0.68676} O2 5252 -1 14 {} Si 0.0 {0.681918 0.562456 0.315503} Si3 5253 -1 7 {} N 0.0 {0.589426 0.609973 0.688122} N1 5254 -1 14 {} Si 0.0 {0.588937 0.625289 0.68356} Si4 5255 -1 14 {} Si 0.0 {0.579214 0.601444 0.697336} Si5 5256 -1 7 {} N 0.0 {0.605986 0.632467 0.688046} N2 5257 -1 7 {} N 0.0 {0.575943 0.637615 0.691386} N3 5258 -1 7 {} N 0.0 {0.581745 0.626967 0.665456} N4 5259 -1 7 {} N 0.0 {0.585692 0.597815 0.714921} N5 5260 -1 7 {} N 0.0 {0.707651 0.573829 0.357608} N6 5261 -1 7 {} N 0.0 {0.577883 0.584591 0.688758} N7 5262 -1 8 {} O 0.0 {0.672409 0.52409 0.321447} O3 5263 -1 6 {} C 0.0 {0.697834 0.537376 0.334501} C1 5264 -1 8 {} O 0.0 {0.693774 0.512142 0.315567} O4 5265 -1 7 {} N 0.0 {0.692815 0.572664 0.320489} N8 5266 -1 8 {} O 0.0 {0.666849 0.566664 0.312038} O5 5267 -1 1 {} H 0.0 {0.669402 0.536712 0.295574} H1 5268 -1 1 {} H 0.0 {0.694597 0.520733 0.281297} H2 5269 -1 1 {} H 0.0 {0.607477 0.629698 0.697833} H3 5270 -1 1 {} H 0.0 {0.604849 0.642864 0.688594} H4 5271 -1 1 {} H 0.0 {0.580481 0.644892 0.696696} H5 5272 -1 1 {} H 0.0 {0.570521 0.64195 0.682976} H6 5273 -1 1 {} H 0.0 {0.571637 0.627623 0.665514} H7 5274 -1 1 {} H 0.0 {0.583636 0.637011 0.663506} H8 5275 -1 1 {} H 0.0 {0.583666 0.606662 0.71926} H9 5276 -1 1 {} H 0.0 {0.595963 0.597168 0.713682} H10 5277 -1 1 {} H 0.0 {0.674852 0.649825 0.594783} H11 5278 -1 1 {} H 0.0 {0.715555 0.567888 0.360004} H12 5279 -1 1 {} H 0.0 {0.582974 0.586876 0.680074} H13 5280 -1 1 {} H 0.0 {0.568374 0.582391 0.685377} H14 5281 -1 1 {} H 0.0 {0.703467 0.574565 0.366993} H15 5282 -1 1 {} H 0.0 {0.705292 0.530482 0.337944} H16 5283 -1 1 {} H 0.0 {0.692299 0.541285 0.342334} H17 5284 -1 1 {} H 0.0 {0.701034 0.544882 0.327835} H18 5285 -1 1 {} H 0.0 {0.540956 0.499279 0.687272} H19 5286 -1 1 {} H 0.0 {0.691714 0.582686 0.323285} H20 5287 -1 1 {} H 0.0 {0.5198 0.666126 0.394505} H21 5288 -1 1 {} H 0.0 {0.660378 0.560929 0.316655} H22 5289 -1 14 {} Si 0.0 {0.426295 0.610811 0.486706} Si1 5290 -1 8 {} O 0.0 {0.421393 0.597416 0.493323} O1 5291 -1 14 {} Si 0.0 {0.42528 0.582388 0.493441} Si2 5292 -1 8 {} O 0.0 {0.440462 0.585039 0.490846} O2 5293 -1 14 {} Si 0.0 {0.452283 0.586155 0.480663} Si3 5294 -1 7 {} N 0.0 {0.455666 0.567402 0.476216} N1 5295 -1 14 {} Si 0.0 {0.454443 0.556499 0.489136} Si4 5296 -1 14 {} Si 0.0 {0.459897 0.558519 0.46321} Si5 5297 -1 7 {} N 0.0 {0.458448 0.565573 0.5059} N2 5298 -1 7 {} N 0.0 {0.465372 0.541007 0.489017} N3 5299 -1 7 {} N 0.0 {0.436109 0.551944 0.489778} N4 5300 -1 7 {} N 0.0 {0.478973 0.553996 0.462527} N5 5301 -1 7 {} N 0.0 {0.448289 0.542759 0.4626} N6 5302 -1 7 {} N 0.0 {0.454475 0.567331 0.447132} N7 5303 -1 8 {} O 0.0 {0.415051 0.636204 0.51321} O3 5304 -1 6 {} C 0.0 {0.415523 0.618643 0.473671} C1 5305 -1 8 {} O 0.0 {0.432304 0.617369 0.499196} O4 5306 -1 7 {} N 0.0 {0.467555 0.591535 0.489491} N8 5307 -1 8 {} O 0.0 {0.447987 0.598463 0.471353} O5 5308 -1 1 {} H 0.0 {0.418825 0.576486 0.479709} H1 5309 -1 1 {} H 0.0 {0.461758 0.601773 0.507267} H2 5310 -1 1 {} H 0.0 {0.454862 0.575066 0.503071} H3 5311 -1 1 {} H 0.0 {0.452923 0.562102 0.513706} H4 5312 -1 1 {} H 0.0 {0.468581 0.542322 0.498214} H5 5313 -1 1 {} H 0.0 {0.457385 0.534063 0.490907} H6 5314 -1 1 {} H 0.0 {0.435892 0.541609 0.491594} H7 5315 -1 1 {} H 0.0 {0.433652 0.552654 0.480069} H8 5316 -1 1 {} H 0.0 {0.483151 0.56191 0.466857} H9 5317 -1 1 {} H 0.0 {0.478926 0.546624 0.469894} H10 5318 -1 1 {} H 0.0 {0.439067 0.54594 0.465304} H11 5319 -1 1 {} H 0.0 {0.451596 0.536388 0.469425} H12 5320 -1 1 {} H 0.0 {0.444808 0.564138 0.446023} H13 5321 -1 1 {} H 0.0 {0.459488 0.56187 0.439827} H14 5322 -1 1 {} H 0.0 {0.419859 0.643532 0.509012} H15 5323 -1 1 {} H 0.0 {0.404797 0.617202 0.476451} H16 5324 -1 1 {} H 0.0 {0.416656 0.613478 0.464395} H17 5325 -1 1 {} H 0.0 {0.418438 0.628939 0.471542} H18 5326 -1 1 {} H 0.0 {0.442495 0.621339 0.498522} H19 5327 -1 1 {} H 0.0 {0.472856 0.595805 0.482037} H20 5328 -1 1 {} H 0.0 {0.473162 0.583358 0.491721} H21 5329 -1 1 {} H 0.0 {0.440195 0.604312 0.477834} H22 5330 -1 14 {} Si 0.0 {0.319029 0.410462 0.440162} Si1 5331 -1 8 {} O 0.0 {0.306311 0.419903 0.440481} O1 5332 -1 14 {} Si 0.0 {0.295317 0.426765 0.448948} Si2 5333 -1 8 {} O 0.0 {0.302644 0.430663 0.462878} O2 5334 -1 14 {} Si 0.0 {0.301845 0.426846 0.477994} Si3 5335 -1 7 {} N 0.0 {0.287356 0.419177 0.482657} N1 5336 -1 14 {} Si 0.0 {0.271764 0.419573 0.47} Si4 5337 -1 14 {} Si 0.0 {0.282568 0.416687 0.498596} Si5 5338 -1 7 {} N 0.0 {0.279302 0.423209 0.452135} N2 5339 -1 7 {} N 0.0 {0.256644 0.431952 0.475038} N3 5340 -1 7 {} N 0.0 {0.264782 0.405291 0.470701} N4 5341 -1 7 {} N 0.0 {0.27429 0.402128 0.500648} N5 5342 -1 7 {} N 0.0 {0.295583 0.418348 0.509789} N6 5343 -1 7 {} N 0.0 {0.27106 0.431667 0.502834} N7 5344 -1 8 {} O 0.0 {0.32922 0.420441 0.45451} O3 5345 -1 6 {} C 0.0 {0.325983 0.405137 0.425235} C1 5346 -1 8 {} O 0.0 {0.313959 0.396642 0.456171} O4 5347 -1 7 {} N 0.0 {0.301211 0.443336 0.487215} N8 5348 -1 8 {} O 0.0 {0.314619 0.417988 0.479589} O5 5349 -1 1 {} H 0.0 {0.321499 0.389519 0.456549} H1 5350 -1 1 {} H 0.0 {0.29515 0.443406 0.442322} H2 5351 -1 1 {} H 0.0 {0.277138 0.416019 0.445803} H3 5352 -1 1 {} H 0.0 {0.699723 0.540089 0.534179} H4 5353 -1 1 {} H 0.0 {0.248499 0.426203 0.475188} H5 5354 -1 1 {} H 0.0 {0.254181 0.436818 0.466692} H6 5355 -1 1 {} H 0.0 {0.719832 0.381789 0.514161} H7 5356 -1 1 {} H 0.0 {0.270609 0.397013 0.470346} H8 5357 -1 1 {} H 0.0 {0.275236 0.396834 0.491518} H9 5358 -1 1 {} H 0.0 {0.278331 0.396317 0.508133} H10 5359 -1 1 {} H 0.0 {0.304147 0.417581 0.503971} H11 5360 -1 1 {} H 0.0 {0.294906 0.409832 0.51586} H12 5361 -1 1 {} H 0.0 {0.278248 0.438126 0.505361} H13 5362 -1 1 {} H 0.0 {0.266731 0.428513 0.511911} H14 5363 -1 1 {} H 0.0 {0.322484 0.423005 0.460758} H15 5364 -1 1 {} H 0.0 {0.341672 0.379597 0.387627} H16 5365 -1 1 {} H 0.0 {0.336284 0.40275 0.427825} H17 5366 -1 1 {} H 0.0 {0.323449 0.412929 0.418993} H18 5367 -1 1 {} H 0.0 {0.317021 0.401572 0.464684} H19 5368 -1 1 {} H 0.0 {0.291651 0.445351 0.484824} H20 5369 -1 1 {} H 0.0 {0.306723 0.448328 0.480375} H21 5370 -1 1 {} H 0.0 {0.319627 0.421633 0.487433} H22 5371 -1 14 {} Si 0.0 {0.371859 0.604202 0.306829} Si1 5372 -1 8 {} O 0.0 {0.380069 0.635291 0.280775} O1 5373 -1 14 {} Si 0.0 {0.397728 0.622493 0.293331} Si2 5374 -1 8 {} O 0.0 {0.412062 0.619772 0.287051} O2 5375 -1 14 {} Si 0.0 {0.420397 0.612344 0.276537} Si3 5376 -1 7 {} N 0.0 {0.446978 0.584528 0.33405} N1 5377 -1 14 {} Si 0.0 {0.443387 0.602238 0.34094} Si4 5378 -1 14 {} Si 0.0 {0.418043 0.664456 0.327104} Si5 5379 -1 7 {} N 0.0 {0.459287 0.637898 0.339948} N2 5380 -1 7 {} N 0.0 {0.355677 0.585093 0.321586} N3 5381 -1 7 {} N 0.0 {0.516683 0.610147 0.305382} N4 5382 -1 7 {} N 0.0 {0.429477 0.664847 0.315415} N5 5383 -1 7 {} N 0.0 {0.520364 0.680446 0.370929} N6 5384 -1 7 {} N 0.0 {0.42176 0.652346 0.339965} N7 5385 -1 8 {} O 0.0 {0.369121 0.617891 0.299465} O3 5386 -1 6 {} C 0.0 {0.386669 0.600144 0.314327} C1 5387 -1 8 {} O 0.0 {0.356527 0.599061 0.307887} O4 5388 -1 7 {} N 0.0 {0.428746 0.597573 0.280213} N8 5389 -1 8 {} O 0.0 {0.408627 0.608753 0.266806} O5 5390 -1 1 {} H 0.0 {0.396057 0.609729 0.306294} H1 5391 -1 1 {} H 0.0 {0.397282 0.636873 0.300819} H2 5392 -1 1 {} H 0.0 {0.532028 0.473706 0.301026} H3 5393 -1 1 {} H 0.0 {0.483417 0.615035 0.327417} H4 5394 -1 1 {} H 0.0 {0.349424 0.578056 0.317902} H5 5395 -1 1 {} H 0.0 {0.351982 0.567823 0.482241} H6 5396 -1 1 {} H 0.0 {0.424836 0.613856 0.337676} H7 5397 -1 1 {} H 0.0 {0.41768 0.626498 0.370184} H8 5398 -1 1 {} H 0.0 {0.430467 0.674581 0.312914} H9 5399 -1 1 {} H 0.0 {0.525866 0.672941 0.374969} H10 5400 -1 1 {} H 0.0 {0.512565 0.676023 0.365814} H11 5401 -1 1 {} H 0.0 {0.515201 0.683871 0.379013} H12 5402 -1 1 {} H 0.0 {0.430433 0.648117 0.336149} H13 5403 -1 1 {} H 0.0 {0.42538 0.658417 0.347763} H14 5404 -1 1 {} H 0.0 {0.37225 0.625882 0.305766} H15 5405 -1 1 {} H 0.0 {0.389328 0.589726 0.312351} H16 5406 -1 1 {} H 0.0 {0.312667 0.644952 0.380809} H17 5407 -1 1 {} H 0.0 {0.385228 0.602068 0.32467} H18 5408 -1 1 {} H 0.0 {0.364352 0.580301 0.322446} H19 5409 -1 1 {} H 0.0 {0.43686 0.593174 0.276342} H20 5410 -1 1 {} H 0.0 {0.426493 0.595007 0.290008} H21 5411 -1 1 {} H 0.0 {0.4064 0.616136 0.260833} H22 5412 -1 14 {} Si 0.0 {0.420307 0.299699 0.414204} Si1 5413 -1 8 {} O 0.0 {0.423273 0.314073 0.422156} O1 5414 -1 14 {} Si 0.0 {0.33139 0.643072 0.399517} Si2 5415 -1 8 {} O 0.0 {0.339961 0.633445 0.390891} O2 5416 -1 14 {} Si 0.0 {0.353086 0.626258 0.385663} Si3 5417 -1 7 {} N 0.0 {0.354934 0.626727 0.369395} N1 5418 -1 14 {} Si 0.0 {0.345863 0.608889 0.366597} Si4 5419 -1 14 {} Si 0.0 {0.349013 0.641645 0.356866} Si5 5420 -1 7 {} N 0.0 {0.332566 0.61061 0.358253} N2 5421 -1 7 {} N 0.0 {0.341075 0.599322 0.384899} N3 5422 -1 7 {} N 0.0 {0.358787 0.597651 0.358233} N4 5423 -1 7 {} N 0.0 {0.36588 0.293883 0.480034} N5 5424 -1 7 {} N 0.0 {0.354038 0.659722 0.361559} N6 5425 -1 7 {} N 0.0 {0.330925 0.642344 0.363662} N7 5426 -1 8 {} O 0.0 {0.400541 0.303999 0.410354} O3 5427 -1 6 {} C 0.0 {0.427262 0.285212 0.416739} C1 5428 -1 8 {} O 0.0 {0.429182 0.298356 0.384991} O4 5429 -1 7 {} N 0.0 {0.442061 0.63915 0.367825} N8 5430 -1 8 {} O 0.0 {0.34135 0.653251 0.406415} O5 5431 -1 1 {} H 0.0 {0.430425 0.318802 0.416861} H1 5432 -1 1 {} H 0.0 {0.319378 0.634896 0.40928} H2 5433 -1 1 {} H 0.0 {0.706328 0.618647 0.56758} H3 5434 -1 1 {} H 0.0 {0.32825 0.619932 0.358448} H4 5435 -1 1 {} H 0.0 {0.347348 0.590956 0.38407} H5 5436 -1 1 {} H 0.0 {0.331735 0.595568 0.382575} H6 5437 -1 1 {} H 0.0 {0.367787 0.602311 0.360996} H7 5438 -1 1 {} H 0.0 {0.356137 0.599375 0.34866} H8 5439 -1 1 {} H 0.0 {0.368394 0.284118 0.481894} H9 5440 -1 1 {} H 0.0 {0.358971 0.29779 0.486476} H10 5441 -1 1 {} H 0.0 {0.363626 0.657156 0.364337} H11 5442 -1 1 {} H 0.0 {0.350109 0.6609 0.370736} H12 5443 -1 1 {} H 0.0 {0.330218 0.652501 0.364703} H13 5444 -1 1 {} H 0.0 {0.332762 0.639166 0.372987} H14 5445 -1 1 {} H 0.0 {0.400367 0.313449 0.413136} H15 5446 -1 1 {} H 0.0 {0.339383 0.658081 0.459842} H16 5447 -1 1 {} H 0.0 {0.714565 0.665846 0.406239} H17 5448 -1 1 {} H 0.0 {0.430624 0.276331 0.420291} H18 5449 -1 1 {} H 0.0 {0.438094 0.296391 0.381423} H19 5450 -1 1 {} H 0.0 {0.438255 0.648785 0.369469} H20 5451 -1 1 {} H 0.0 {0.444612 0.639157 0.357581} H21 5452 -1 1 {} H 0.0 {0.349571 0.649247 0.409007} H22 5453 -1 14 {} Si 0.0 {0.606377 0.665459 0.325156} Si1 5454 -1 8 {} O 0.0 {0.597974 0.328492 0.354677} O1 5455 -1 14 {} Si 0.0 {0.588763 0.333767 0.343918} Si2 5456 -1 8 {} O 0.0 {0.575048 0.334178 0.351196} O2 5457 -1 14 {} Si 0.0 {0.564437 0.343039 0.359582} Si3 5458 -1 7 {} N 0.0 {0.553855 0.333284 0.373382} N1 5459 -1 14 {} Si 0.0 {0.542684 0.314196 0.360772} Si4 5460 -1 14 {} Si 0.0 {0.561555 0.319762 0.377736} Si5 5461 -1 7 {} N 0.0 {0.528652 0.301778 0.363524} N2 5462 -1 7 {} N 0.0 {0.541046 0.31822 0.341561} N3 5463 -1 7 {} N 0.0 {0.540336 0.3291 0.36766} N4 5464 -1 7 {} N 0.0 {0.580019 0.322173 0.381664} N5 5465 -1 7 {} N 0.0 {0.554148 0.31276 0.395505} N6 5466 -1 7 {} N 0.0 {0.560732 0.304565 0.364244} N7 5467 -1 8 {} O 0.0 {0.60691 0.655747 0.31269} O3 5468 -1 6 {} C 0.0 {0.613277 0.682152 0.325833} C1 5469 -1 8 {} O 0.0 {0.603932 0.655834 0.336485} O4 5470 -1 7 {} N 0.0 {0.553402 0.351348 0.345954} N8 5471 -1 8 {} O 0.0 {0.575409 0.350435 0.367989} O5 5472 -1 1 {} H 0.0 {0.588317 0.325225 0.333168} H1 5473 -1 1 {} H 0.0 {0.593983 0.347679 0.338768} H2 5474 -1 1 {} H 0.0 {0.522051 0.303693 0.35589} H3 5475 -1 1 {} H 0.0 {0.523866 0.305303 0.371854} H4 5476 -1 1 {} H 0.0 {0.548594 0.313594 0.337046} H5 5477 -1 1 {} H 0.0 {0.543139 0.327971 0.342809} H6 5478 -1 1 {} H 0.0 {0.542078 0.35328 0.372094} H7 5479 -1 1 {} H 0.0 {0.533271 0.327261 0.375139} H8 5480 -1 1 {} H 0.0 {0.580367 0.331548 0.377303} H9 5481 -1 1 {} H 0.0 {0.580596 0.323815 0.39173} H10 5482 -1 1 {} H 0.0 {0.548359 0.320038 0.399998} H11 5483 -1 1 {} H 0.0 {0.548111 0.305097 0.393316} H12 5484 -1 1 {} H 0.0 {0.564273 0.311101 0.356914} H13 5485 -1 1 {} H 0.0 {0.555068 0.297058 0.367344} H14 5486 -1 1 {} H 0.0 {0.611149 0.647228 0.315162} H15 5487 -1 1 {} H 0.0 {0.622087 0.682192 0.331715} H16 5488 -1 1 {} H 0.0 {0.605647 0.688644 0.329} H17 5489 -1 1 {} H 0.0 {0.61602 0.68412 0.315528} H18 5490 -1 1 {} H 0.0 {0.615152 0.676382 0.359579} H19 5491 -1 1 {} H 0.0 {0.554261 0.361428 0.34734} H20 5492 -1 1 {} H 0.0 {0.544511 0.348698 0.349979} H21 5493 -1 1 {} H 0.0 {0.608675 0.325132 0.371357} H22 5494 -1 14 {} Si 0.0 {0.5992 0.465886 0.345466} Si1 5495 -1 8 {} O 0.0 {0.598169 0.450902 0.341701} O1 5496 -1 14 {} Si 0.0 {0.597265 0.436822 0.348385} Si2 5497 -1 8 {} O 0.0 {0.554431 0.355089 0.69683} O2 5498 -1 14 {} Si 0.0 {0.542141 0.364677 0.701014} Si3 5499 -1 7 {} N 0.0 {0.536184 0.371751 0.683825} N1 5500 -1 14 {} Si 0.0 {0.530282 0.358288 0.676199} Si4 5501 -1 14 {} Si 0.0 {0.546161 0.381216 0.673076} Si5 5502 -1 7 {} N 0.0 {0.515069 0.364098 0.664645} N2 5503 -1 7 {} N 0.0 {0.520246 0.344833 0.687585} N3 5504 -1 7 {} N 0.0 {0.544384 0.348285 0.667135} N4 5505 -1 7 {} N 0.0 {0.565253 0.378946 0.676765} N5 5506 -1 7 {} N 0.0 {0.543658 0.374923 0.655137} N6 5507 -1 7 {} N 0.0 {0.541987 0.397852 0.674739} N7 5508 -1 8 {} O 0.0 {0.607496 0.464665 0.363435} O3 5509 -1 6 {} C 0.0 {0.59306 0.474384 0.366886} C1 5510 -1 8 {} O 0.0 {0.546715 0.449022 0.684755} O4 5511 -1 7 {} N 0.0 {0.540782 0.382038 0.709114} N8 5512 -1 8 {} O 0.0 {0.533494 0.354727 0.710018} O5 5513 -1 1 {} H 0.0 {0.583258 0.432687 0.345806} H1 5514 -1 1 {} H 0.0 {0.609046 0.427397 0.341411} H2 5515 -1 1 {} H 0.0 {0.518261 0.373617 0.664153} H3 5516 -1 1 {} H 0.0 {0.517242 0.359318 0.655911} H4 5517 -1 1 {} H 0.0 {0.512128 0.350859 0.689007} H5 5518 -1 1 {} H 0.0 {0.524765 0.344722 0.696829} H6 5519 -1 1 {} H 0.0 {0.552419 0.352931 0.671474} H7 5520 -1 1 {} H 0.0 {0.544247 0.339155 0.67146} H8 5521 -1 1 {} H 0.0 {0.568666 0.373376 0.669009} H9 5522 -1 1 {} H 0.0 {0.564104 0.3731 0.684743} H10 5523 -1 1 {} H 0.0 {0.543477 0.382997 0.649659} H11 5524 -1 1 {} H 0.0 {0.550722 0.367946 0.652782} H12 5525 -1 1 {} H 0.0 {0.547864 0.402515 0.682358} H13 5526 -1 1 {} H 0.0 {0.532741 0.397683 0.679491} H14 5527 -1 1 {} H 0.0 {0.604137 0.456068 0.367023} H15 5528 -1 1 {} H 0.0 {0.585557 0.468315 0.371123} H16 5529 -1 1 {} H 0.0 {0.588758 0.480502 0.359127} H17 5530 -1 1 {} H 0.0 {0.597596 0.481376 0.374037} H18 5531 -1 1 {} H 0.0 {0.573852 0.429911 0.622354} H19 5532 -1 1 {} H 0.0 {0.530914 0.384821 0.707082} H20 5533 -1 1 {} H 0.0 {0.547805 0.38784 0.704623} H21 5534 -1 1 {} H 0.0 {0.535189 0.356625 0.719532} H22 5535 -1 14 {} Si 0.0 {0.390855 0.460529 0.323572} Si1 5536 -1 8 {} O 0.0 {0.402819 0.458427 0.313404} O1 5537 -1 14 {} Si 0.0 {0.416428 0.463647 0.30745} Si2 5538 -1 8 {} O 0.0 {0.423258 0.475209 0.315241} O2 5539 -1 14 {} Si 0.0 {0.421523 0.487894 0.324417} Si3 5540 -1 7 {} N 0.0 {0.437646 0.498448 0.325434} N1 5541 -1 14 {} Si 0.0 {0.450197 0.499171 0.335711} Si4 5542 -1 14 {} Si 0.0 {0.439487 0.508981 0.312415} Si5 5543 -1 7 {} N 0.0 {0.447046 0.483454 0.346678} N2 5544 -1 7 {} N 0.0 {0.451279 0.513993 0.349037} N3 5545 -1 7 {} N 0.0 {0.469876 0.497268 0.328443} N4 5546 -1 7 {} N 0.0 {0.454518 0.520179 0.315502} N5 5547 -1 7 {} N 0.0 {0.442238 0.499251 0.294724} N6 5548 -1 7 {} N 0.0 {0.424992 0.520244 0.309578} N7 5549 -1 8 {} O 0.0 {0.384139 0.471918 0.31466} O3 5550 -1 6 {} C 0.0 {0.391624 0.458989 0.342242} C1 5551 -1 8 {} O 0.0 {0.378307 0.446368 0.315486} O4 5552 -1 7 {} N 0.0 {0.415718 0.482784 0.342447} N8 5553 -1 8 {} O 0.0 {0.410769 0.495296 0.31519} O5 5554 -1 1 {} H 0.0 {0.413917 0.467474 0.291758} H1 5555 -1 1 {} H 0.0 {0.425806 0.452242 0.307803} H2 5556 -1 1 {} H 0.0 {0.43831 0.479851 0.34228} H3 5557 -1 1 {} H 0.0 {0.454342 0.477096 0.342899} H4 5558 -1 1 {} H 0.0 {0.46133 0.5139 0.349974} H5 5559 -1 1 {} H 0.0 {0.448258 0.50859 0.356729} H6 5560 -1 1 {} H 0.0 {0.474193 0.502489 0.336326} H7 5561 -1 1 {} H 0.0 {0.471274 0.487514 0.331536} H8 5562 -1 1 {} H 0.0 {0.456926 0.519423 0.325369} H9 5563 -1 1 {} H 0.0 {0.463709 0.517117 0.311492} H10 5564 -1 1 {} H 0.0 {0.449669 0.492374 0.296542} H11 5565 -1 1 {} H 0.0 {0.433745 0.493813 0.294623} H12 5566 -1 1 {} H 0.0 {0.416576 0.51363 0.310539} H13 5567 -1 1 {} H 0.0 {0.424864 0.525076 0.318666} H14 5568 -1 1 {} H 0.0 {0.385856 0.480314 0.319507} H15 5569 -1 1 {} H 0.0 {0.401399 0.45662 0.344357} H16 5570 -1 1 {} H 0.0 {0.38416 0.452091 0.344651} H17 5571 -1 1 {} H 0.0 {0.389809 0.469267 0.345525} H18 5572 -1 1 {} H 0.0 {0.379934 0.443117 0.306238} H19 5573 -1 1 {} H 0.0 {0.408702 0.475349 0.340999} H20 5574 -1 1 {} H 0.0 {0.411178 0.491285 0.344772} H21 5575 -1 1 {} H 0.0 {0.401173 0.491619 0.317623} H22 5576 -1 14 {} Si 0.0 {0.400022 0.457638 0.393219} Si1 5577 -1 8 {} O 0.0 {0.394156 0.468959 0.40343} O1 5578 -1 14 {} Si 0.0 {0.359947 0.436363 0.435076} Si2 5579 -1 8 {} O 0.0 {0.360141 0.448201 0.445607} O2 5580 -1 14 {} Si 0.0 {0.353562 0.453997 0.458713} Si3 5581 -1 7 {} N 0.0 {0.343259 0.471855 0.458279} N1 5582 -1 14 {} Si 0.0 {0.34956 0.48533 0.450932} Si4 5583 -1 14 {} Si 0.0 {0.327509 0.471505 0.45372} Si5 5584 -1 7 {} N 0.0 {0.345086 0.500977 0.45743} N2 5585 -1 7 {} N 0.0 {0.348879 0.486002 0.431465} N3 5586 -1 7 {} N 0.0 {0.368817 0.48405 0.455138} N4 5587 -1 7 {} N 0.0 {0.317217 0.467494 0.468372} N5 5588 -1 7 {} N 0.0 {0.319486 0.486038 0.443171} N6 5589 -1 7 {} N 0.0 {0.322501 0.455794 0.441193} N7 5590 -1 8 {} O 0.0 {0.409209 0.471548 0.378575} O3 5591 -1 6 {} C 0.0 {0.406498 0.43749 0.405136} C1 5592 -1 8 {} O 0.0 {0.416937 0.451206 0.403014} O4 5593 -1 7 {} N 0.0 {0.393994 0.377599 0.475178} N8 5594 -1 8 {} O 0.0 {0.294374 0.452495 0.436762} O5 5595 -1 1 {} H 0.0 {0.514784 0.49612 0.322231} H1 5596 -1 1 {} H 0.0 {0.36082 0.444056 0.420369} H2 5597 -1 1 {} H 0.0 {0.334808 0.500392 0.455957} H3 5598 -1 1 {} H 0.0 {0.348936 0.50883 0.452808} H4 5599 -1 1 {} H 0.0 {0.357878 0.490646 0.430121} H5 5600 -1 1 {} H 0.0 {0.35139 0.476233 0.43096} H6 5601 -1 1 {} H 0.0 {0.369101 0.486913 0.464726} H7 5602 -1 1 {} H 0.0 {0.372323 0.490952 0.449496} H8 5603 -1 1 {} H 0.0 {0.323371 0.471243 0.475552} H9 5604 -1 1 {} H 0.0 {0.318591 0.45766 0.468947} H10 5605 -1 1 {} H 0.0 {0.327352 0.486747 0.437124} H11 5606 -1 1 {} H 0.0 {0.31274 0.481094 0.437625} H12 5607 -1 1 {} H 0.0 {0.311696 0.454984 0.441006} H13 5608 -1 1 {} H 0.0 {0.32671 0.459011 0.432269} H14 5609 -1 1 {} H 0.0 {0.405235 0.480593 0.380432} H15 5610 -1 1 {} H 0.0 {0.412836 0.428772 0.403167} H16 5611 -1 1 {} H 0.0 {0.397301 0.435696 0.400095} H17 5612 -1 1 {} H 0.0 {0.403593 0.438476 0.415213} H18 5613 -1 1 {} H 0.0 {0.422196 0.4475 0.395515} H19 5614 -1 1 {} H 0.0 {0.398902 0.375711 0.484554} H20 5615 -1 1 {} H 0.0 {0.383939 0.376809 0.475973} H21 5616 -1 1 {} H 0.0 {0.291588 0.459675 0.442803} H22 5617 -1 14 {} Si 0.0 {0.619131 0.358254 0.438678} Si1 5618 -1 8 {} O 0.0 {0.631144 0.348857 0.356087} O1 5619 -1 14 {} Si 0.0 {0.663327 0.339146 0.382171} Si2 5620 -1 8 {} O 0.0 {0.670348 0.325667 0.378396} O2 5621 -1 14 {} Si 0.0 {0.698569 0.318118 0.375126} Si3 5622 -1 7 {} N 0.0 {0.710507 0.32945 0.376034} N1 5623 -1 14 {} Si 0.0 {0.70663 0.339291 0.363194} Si4 5624 -1 14 {} Si 0.0 {0.549402 0.325979 0.700141} Si5 5625 -1 7 {} N 0.0 {0.712726 0.357368 0.368229} N2 5626 -1 7 {} N 0.0 {0.570964 0.360481 0.7052} N3 5627 -1 7 {} N 0.0 {0.686331 0.343242 0.36073} N4 5628 -1 7 {} N 0.0 {0.545496 0.318216 0.682672} N5 5629 -1 7 {} N 0.0 {0.552208 0.301547 0.530522} N6 5630 -1 7 {} N 0.0 {0.555251 0.318488 0.712738} N7 5631 -1 8 {} O 0.0 {0.477989 0.313353 0.396268} O3 5632 -1 6 {} C 0.0 {0.63762 0.345349 0.443988} C1 5633 -1 8 {} O 0.0 {0.611703 0.384968 0.444953} O4 5634 -1 7 {} N 0.0 {0.724706 0.32386 0.378682} N8 5635 -1 8 {} O 0.0 {0.598839 0.437199 0.364135} O5 5636 -1 1 {} H 0.0 {0.647616 0.339243 0.376126} H1 5637 -1 1 {} H 0.0 {0.656451 0.339181 0.3981} H2 5638 -1 1 {} H 0.0 {0.722588 0.356485 0.371352} H3 5639 -1 1 {} H 0.0 {0.713145 0.361262 0.358823} H4 5640 -1 1 {} H 0.0 {0.578659 0.356235 0.699371} H5 5641 -1 1 {} H 0.0 {0.713536 0.335799 0.351166} H6 5642 -1 1 {} H 0.0 {0.684039 0.335524 0.366988} H7 5643 -1 1 {} H 0.0 {0.68705 0.351147 0.36744} H8 5644 -1 1 {} H 0.0 {0.553461 0.311824 0.682001} H9 5645 -1 1 {} H 0.0 {0.546609 0.324321 0.674491} H10 5646 -1 1 {} H 0.0 {0.550809 0.298678 0.540709} H11 5647 -1 1 {} H 0.0 {0.560193 0.307961 0.530344} H12 5648 -1 1 {} H 0.0 {0.569149 0.400679 0.30186} H13 5649 -1 1 {} H 0.0 {0.563244 0.311994 0.71252} H14 5650 -1 1 {} H 0.0 {0.635959 0.281841 0.534928} H15 5651 -1 1 {} H 0.0 {0.641008 0.350935 0.452354} H16 5652 -1 1 {} H 0.0 {0.649172 0.378082 0.458519} H17 5653 -1 1 {} H 0.0 {0.644499 0.343629 0.436402} H18 5654 -1 1 {} H 0.0 {0.605238 0.38253 0.437489} H19 5655 -1 1 {} H 0.0 {0.725444 0.318765 0.38833} H20 5656 -1 1 {} H 0.0 {0.727261 0.317134 0.371854} H21 5657 -1 1 {} H 0.0 {0.608253 0.437438 0.365948} H22 5658 -1 14 {} Si 0.0 {0.577956 0.313211 0.636888} Si1 5659 -1 8 {} O 0.0 {0.714518 0.385026 0.383757} O1 5660 -1 14 {} Si 0.0 {0.355252 0.431098 0.611519} Si2 5661 -1 8 {} O 0.0 {0.406077 0.370137 0.249289} O2 5662 -1 14 {} Si 0.0 {0.40323 0.385559 0.254459} Si3 5663 -1 7 {} N 0.0 {0.389602 0.394244 0.258112} N1 5664 -1 14 {} Si 0.0 {0.378166 0.383557 0.255321} Si4 5665 -1 14 {} Si 0.0 {0.383641 0.408596 0.264603} Si5 5666 -1 7 {} N 0.0 {0.685848 0.400128 0.403968} N2 5667 -1 7 {} N 0.0 {0.367146 0.373923 0.270759} N3 5668 -1 7 {} N 0.0 {0.372468 0.38276 0.236922} N4 5669 -1 7 {} N 0.0 {0.395563 0.412676 0.280931} N5 5670 -1 7 {} N 0.0 {0.386056 0.419965 0.250134} N6 5671 -1 7 {} N 0.0 {0.364511 0.406207 0.268288} N7 5672 -1 8 {} O 0.0 {0.432431 0.304874 0.594219} O3 5673 -1 6 {} C 0.0 {0.706563 0.407564 0.373023} C1 5674 -1 8 {} O 0.0 {0.567567 0.308591 0.648917} O4 5675 -1 7 {} N 0.0 {0.416838 0.401963 0.255376} N8 5676 -1 8 {} O 0.0 {0.395987 0.345387 0.255024} O5 5677 -1 1 {} H 0.0 {0.336525 0.429562 0.621977} H1 5678 -1 1 {} H 0.0 {0.429176 0.307428 0.604223} H2 5679 -1 1 {} H 0.0 {0.693314 0.393595 0.402907} H3 5680 -1 1 {} H 0.0 {0.680277 0.398348 0.395661} H4 5681 -1 1 {} H 0.0 {0.372352 0.37916 0.278267} H5 5682 -1 1 {} H 0.0 {0.371556 0.364464 0.270018} H6 5683 -1 1 {} H 0.0 {0.376565 0.374206 0.233878} H7 5684 -1 1 {} H 0.0 {0.378 0.390678 0.233422} H8 5685 -1 1 {} H 0.0 {0.403567 0.406758 0.278346} H9 5686 -1 1 {} H 0.0 {0.390896 0.407648 0.287949} H10 5687 -1 1 {} H 0.0 {0.536126 0.625067 0.715935} H11 5688 -1 1 {} H 0.0 {0.533672 0.619731 0.711277} H12 5689 -1 1 {} H 0.0 {0.364296 0.405397 0.277961} H13 5690 -1 1 {} H 0.0 {0.361223 0.396854 0.265348} H14 5691 -1 1 {} H 0.0 {0.312714 0.336537 0.396935} H15 5692 -1 1 {} H 0.0 {0.579819 0.444854 0.620514} H16 5693 -1 1 {} H 0.0 {0.71188 0.394385 0.378574} H17 5694 -1 1 {} H 0.0 {0.704267 0.410542 0.363427} H18 5695 -1 1 {} H 0.0 {0.55926 0.312931 0.647312} H19 5696 -1 1 {} H 0.0 {0.423707 0.400942 0.248116} H20 5697 -1 1 {} H 0.0 {0.411164 0.409704 0.251354} H21 5698 -1 1 {} H 0.0 {0.343979 0.398854 0.53322} H22 5699 -1 14 {} Si 0.0 {0.56687 0.493104 0.663588} Si1 5700 -1 8 {} O 0.0 {0.558513 0.485516 0.674132} O1 5701 -1 14 {} Si 0.0 {0.550597 0.47976 0.686334} Si2 5702 -1 8 {} O 0.0 {0.56176 0.482207 0.696717} O2 5703 -1 14 {} Si 0.0 {0.577041 0.485367 0.700662} Si3 5704 -1 7 {} N 0.0 {0.583432 0.497596 0.692251} N1 5705 -1 14 {} Si 0.0 {0.604383 0.529599 0.640803} Si4 5706 -1 14 {} Si 0.0 {0.588339 0.511804 0.68717} Si5 5707 -1 7 {} N 0.0 {0.348137 0.748225 0.540054} N2 5708 -1 7 {} N 0.0 {0.608496 0.548722 0.641381} N3 5709 -1 7 {} N 0.0 {0.586199 0.529125 0.648735} N4 5710 -1 7 {} N 0.0 {0.604208 0.508572 0.673827} N5 5711 -1 7 {} N 0.0 {0.57576 0.527159 0.686708} N6 5712 -1 7 {} N 0.0 {0.600547 0.520213 0.700177} N7 5713 -1 8 {} O 0.0 {0.55567 0.491154 0.65182} O3 5714 -1 6 {} C 0.0 {0.577229 0.507282 0.664471} C1 5715 -1 8 {} O 0.0 {0.592057 0.352579 0.683096} O4 5716 -1 7 {} N 0.0 {0.589607 0.470445 0.693675} N8 5717 -1 8 {} O 0.0 {0.574037 0.486012 0.716012} O5 5718 -1 1 {} H 0.0 {0.54711 0.464015 0.684408} H1 5719 -1 1 {} H 0.0 {0.528163 0.489676 0.669252} H2 5720 -1 1 {} H 0.0 {0.337778 0.748105 0.539886} H3 5721 -1 1 {} H 0.0 {0.349988 0.747019 0.549808} H4 5722 -1 1 {} H 0.0 {0.599373 0.552496 0.63825} H5 5723 -1 1 {} H 0.0 {0.609203 0.552559 0.650449} H6 5724 -1 1 {} H 0.0 {0.588798 0.526459 0.657936} H7 5725 -1 1 {} H 0.0 {0.583375 0.539012 0.648733} H8 5726 -1 1 {} H 0.0 {0.604102 0.498514 0.672215} H9 5727 -1 1 {} H 0.0 {0.61095 0.508843 0.681354} H10 5728 -1 1 {} H 0.0 {0.580346 0.534643 0.692139} H11 5729 -1 1 {} H 0.0 {0.573231 0.529921 0.67729} H12 5730 -1 1 {} H 0.0 {0.598332 0.514613 0.708467} H13 5731 -1 1 {} H 0.0 {0.596114 0.529376 0.700804} H14 5732 -1 1 {} H 0.0 {0.549135 0.498589 0.652779} H15 5733 -1 1 {} H 0.0 {0.571997 0.516238 0.663378} H16 5734 -1 1 {} H 0.0 {0.586386 0.506296 0.65895} H17 5735 -1 1 {} H 0.0 {0.580192 0.480129 0.660831} H18 5736 -1 1 {} H 0.0 {0.593322 0.357302 0.674939} H19 5737 -1 1 {} H 0.0 {0.595538 0.468083 0.70174} H20 5738 -1 1 {} H 0.0 {0.58241 0.463588 0.690805} H21 5739 -1 1 {} H 0.0 {0.564871 0.487558 0.717487} H22 5740 -1 14 {} Si 0.0 {0.364442 0.637558 0.278373} Si1 5741 -1 8 {} O 0.0 {0.36827 0.650446 0.270305} O1 5742 -1 14 {} Si 0.0 {0.383255 0.654564 0.271798} Si2 5743 -1 8 {} O 0.0 {0.693982 0.598251 0.440939} O2 5744 -1 14 {} Si 0.0 {0.681687 0.595384 0.430864} Si3 5745 -1 7 {} N 0.0 {0.681674 0.584042 0.414843} N1 5746 -1 14 {} Si 0.0 {0.675237 0.584011 0.399595} Si4 5747 -1 14 {} Si 0.0 {0.692015 0.57125 0.418231} Si5 5748 -1 7 {} N 0.0 {0.687526 0.578428 0.386374} N2 5749 -1 7 {} N 0.0 {0.669191 0.60165 0.394652} N3 5750 -1 7 {} N 0.0 {0.659039 0.573472 0.399839} N4 5751 -1 7 {} N 0.0 {0.691243 0.565957 0.436538} N5 5752 -1 7 {} N 0.0 {0.686707 0.554567 0.410425} N6 5753 -1 7 {} N 0.0 {0.710269 0.574976 0.41346} N7 5754 -1 8 {} O 0.0 {0.72134 0.680723 0.442917} O3 5755 -1 6 {} C 0.0 {0.34956 0.639142 0.290069} C1 5756 -1 8 {} O 0.0 {0.706012 0.707151 0.443022} O4 5757 -1 7 {} N 0.0 {0.670848 0.610803 0.426887} N8 5758 -1 8 {} O 0.0 {0.671795 0.587888 0.441114} O5 5759 -1 1 {} H 0.0 {0.69906 0.590149 0.441165} H1 5760 -1 1 {} H 0.0 {0.384354 0.664801 0.285553} H2 5761 -1 1 {} H 0.0 {0.684758 0.568127 0.38425} H3 5762 -1 1 {} H 0.0 {0.69526 0.577305 0.39228} H4 5763 -1 1 {} H 0.0 {0.676482 0.603408 0.387702} H5 5764 -1 1 {} H 0.0 {0.673363 0.607668 0.402327} H6 5765 -1 1 {} H 0.0 {0.653873 0.577895 0.392349} H7 5766 -1 1 {} H 0.0 {0.654431 0.57641 0.408595} H8 5767 -1 1 {} H 0.0 {0.681879 0.561956 0.437233} H9 5768 -1 1 {} H 0.0 {0.69742 0.557679 0.437502} H10 5769 -1 1 {} H 0.0 {0.687911 0.547748 0.41822} H11 5770 -1 1 {} H 0.0 {0.677178 0.555177 0.409505} H12 5771 -1 1 {} H 0.0 {0.711095 0.566252 0.409021} H13 5772 -1 1 {} H 0.0 {0.713506 0.57316 0.422854} H14 5773 -1 1 {} H 0.0 {0.712558 0.701561 0.447004} H15 5774 -1 1 {} H 0.0 {0.35233 0.643567 0.299558} H16 5775 -1 1 {} H 0.0 {0.345643 0.629351 0.290569} H17 5776 -1 1 {} H 0.0 {0.342756 0.645525 0.284573} H18 5777 -1 1 {} H 0.0 {0.612308 0.709782 0.333998} H19 5778 -1 1 {} H 0.0 {0.665077 0.610001 0.435426} H20 5779 -1 1 {} H 0.0 {0.665443 0.606275 0.419089} H21 5780 -1 1 {} H 0.0 {0.672027 0.578204 0.439278} H22 5781 -1 14 {} Si 0.0 {0.325625 0.551674 0.572366} Si1 5782 -1 8 {} O 0.0 {0.32146 0.565747 0.566661} O1 5783 -1 14 {} Si 0.0 {0.407562 0.574888 0.303117} Si2 5784 -1 8 {} O 0.0 {0.380811 0.416938 0.667601} O2 5785 -1 14 {} Si 0.0 {0.493847 0.402928 0.308869} Si3 5786 -1 7 {} N 0.0 {0.490254 0.388813 0.302905} N1 5787 -1 14 {} Si 0.0 {0.383609 0.412106 0.682175} Si4 5788 -1 14 {} Si 0.0 {0.377918 0.388116 0.67503} Si5 5789 -1 7 {} N 0.0 {0.399034 0.402242 0.688435} N2 5790 -1 7 {} N 0.0 {0.380173 0.42385 0.697288} N3 5791 -1 7 {} N 0.0 {0.487147 0.369172 0.268604} N4 5792 -1 7 {} N 0.0 {0.37947 0.373394 0.684143} N5 5793 -1 7 {} N 0.0 {0.507022 0.396685 0.256629} N6 5794 -1 7 {} N 0.0 {0.385401 0.422514 0.637489} N7 5795 -1 8 {} O 0.0 {0.351779 0.414889 0.599598} O3 5796 -1 6 {} C 0.0 {0.601482 0.478495 0.333112} C1 5797 -1 8 {} O 0.0 {0.409339 0.470379 0.27917} O4 5798 -1 7 {} N 0.0 {0.475626 0.38573 0.300026} N8 5799 -1 8 {} O 0.0 {0.506078 0.410258 0.301549} O5 5800 -1 1 {} H 0.0 {0.396109 0.569447 0.308113} H1 5801 -1 1 {} H 0.0 {0.306093 0.542605 0.569702} H2 5802 -1 1 {} H 0.0 {0.394025 0.393977 0.690996} H3 5803 -1 1 {} H 0.0 {0.400077 0.407997 0.697055} H4 5804 -1 1 {} H 0.0 {0.370137 0.422359 0.698659} H5 5805 -1 1 {} H 0.0 {0.381169 0.432675 0.692931} H6 5806 -1 1 {} H 0.0 {0.477049 0.370288 0.266658} H7 5807 -1 1 {} H 0.0 {0.487129 0.362091 0.275785} H8 5808 -1 1 {} H 0.0 {0.388099 0.370156 0.680118} H9 5809 -1 1 {} H 0.0 {0.37276 0.366451 0.680222} H10 5810 -1 1 {} H 0.0 {0.51532 0.40134 0.260393} H11 5811 -1 1 {} H 0.0 {0.508474 0.386236 0.256314} H12 5812 -1 1 {} H 0.0 {0.384589 0.432303 0.636858} H13 5813 -1 1 {} H 0.0 {0.378366 0.419526 0.630121} H14 5814 -1 1 {} H 0.0 {0.525554 0.708486 0.533943} H15 5815 -1 1 {} H 0.0 {0.604382 0.473598 0.323914} H16 5816 -1 1 {} H 0.0 {0.608961 0.485514 0.336905} H17 5817 -1 1 {} H 0.0 {0.333441 0.399778 0.579298} H18 5818 -1 1 {} H 0.0 {0.415057 0.477879 0.276271} H19 5819 -1 1 {} H 0.0 {0.473659 0.37535 0.298782} H20 5820 -1 1 {} H 0.0 {0.473102 0.388481 0.290429} H21 5821 -1 1 {} H 0.0 {0.509703 0.416986 0.307369} H22 5822 -1 14 {} Si 0.0 {0.669696 0.50065 0.362153} Si1 5823 -1 8 {} O 0.0 {0.681908 0.497287 0.371611} O1 5824 -1 14 {} Si 0.0 {0.697081 0.494842 0.374733} Si2 5825 -1 8 {} O 0.0 {0.701797 0.503731 0.386747} O2 5826 -1 14 {} Si 0.0 {0.701048 0.51711 0.39438} Si3 5827 -1 7 {} N 0.0 {0.713514 0.527791 0.393398} N1 5828 -1 14 {} Si 0.0 {0.712854 0.537778 0.380561} Si4 5829 -1 14 {} Si 0.0 {0.728776 0.528327 0.406376} Si5 5830 -1 7 {} N 0.0 {0.702651 0.533807 0.365032} N2 5831 -1 7 {} N 0.0 {0.729715 0.538113 0.371909} N3 5832 -1 7 {} N 0.0 {0.708976 0.555247 0.387158} N4 5833 -1 7 {} N 0.0 {0.722573 0.52503 0.420659} N5 5834 -1 7 {} N 0.0 {0.743066 0.516868 0.400071} N6 5835 -1 7 {} N 0.0 {0.735368 0.546227 0.407271} N7 5836 -1 8 {} O 0.0 {0.658692 0.491003 0.369734} O3 5837 -1 6 {} C 0.0 {0.668993 0.500002 0.343234} C1 5838 -1 8 {} O 0.0 {0.666403 0.514224 0.370474} O4 5839 -1 7 {} N 0.0 {0.739068 0.550293 0.436581} N8 5840 -1 8 {} O 0.0 {0.686328 0.521738 0.391591} O5 5841 -1 1 {} H 0.0 {0.707581 0.509316 0.363361} H1 5842 -1 1 {} H 0.0 {0.700424 0.479291 0.378661} H2 5843 -1 1 {} H 0.0 {0.700629 0.542981 0.361083} H3 5844 -1 1 {} H 0.0 {0.693914 0.531519 0.370344} H4 5845 -1 1 {} H 0.0 {0.734328 0.532946 0.37902} H5 5846 -1 1 {} H 0.0 {0.728592 0.531197 0.364827} H6 5847 -1 1 {} H 0.0 {0.702982 0.553744 0.394971} H7 5848 -1 1 {} H 0.0 {0.70287 0.55768 0.379482} H8 5849 -1 1 {} H 0.0 {0.713069 0.52186 0.421221} H9 5850 -1 1 {} H 0.0 {0.362289 0.421744 0.305207} H10 5851 -1 1 {} H 0.0 {0.74368 0.518773 0.389759} H11 5852 -1 1 {} H 0.0 {0.751405 0.519744 0.404697} H12 5853 -1 1 {} H 0.0 {0.732162 0.550834 0.399035} H13 5854 -1 1 {} H 0.0 {0.728639 0.549686 0.414395} H14 5855 -1 1 {} H 0.0 {0.662449 0.490305 0.378874} H15 5856 -1 1 {} H 0.0 {0.658929 0.500685 0.34034} H16 5857 -1 1 {} H 0.0 {0.672078 0.490402 0.339269} H17 5858 -1 1 {} H 0.0 {0.675371 0.507596 0.340481} H18 5859 -1 1 {} H 0.0 {0.657937 0.512007 0.374745} H19 5860 -1 1 {} H 0.0 {0.74157 0.558174 0.430449} H20 5861 -1 1 {} H 0.0 {0.731627 0.544705 0.431474} H21 5862 -1 1 {} H 0.0 {0.682307 0.517622 0.38404} H22 5863 -1 14 {} Si 0.0 {0.375338 0.452348 0.375421} Si1 5864 -1 8 {} O 0.0 {0.384669 0.428032 0.346569} O1 5865 -1 14 {} Si 0.0 {0.385553 0.421504 0.331211} Si2 5866 -1 8 {} O 0.0 {0.374245 0.410245 0.328037} O2 5867 -1 14 {} Si 0.0 {0.363842 0.398841 0.331376} Si3 5868 -1 7 {} N 0.0 {0.362145 0.386107 0.320861} N1 5869 -1 14 {} Si 0.0 {0.349038 0.381476 0.31154} Si4 5870 -1 14 {} Si 0.0 {0.377447 0.379795 0.319285} Si5 5871 -1 7 {} N 0.0 {0.331464 0.382428 0.319658} N2 5872 -1 7 {} N 0.0 {0.351651 0.363111 0.308138} N3 5873 -1 7 {} N 0.0 {0.346799 0.392203 0.295978} N4 5874 -1 7 {} N 0.0 {0.383843 0.386477 0.301858} N5 5875 -1 7 {} N 0.0 {0.389211 0.386517 0.334793} N6 5876 -1 7 {} N 0.0 {0.380963 0.360421 0.321856} N7 5877 -1 8 {} O 0.0 {0.369847 0.456982 0.360978} O3 5878 -1 6 {} C 0.0 {0.392845 0.452686 0.378881} C1 5879 -1 8 {} O 0.0 {0.36537 0.44053 0.378227} O4 5880 -1 7 {} N 0.0 {0.352602 0.394228 0.346447} N8 5881 -1 8 {} O 0.0 {0.332898 0.483923 0.405458} O5 5882 -1 1 {} H 0.0 {0.400393 0.416948 0.329038} H1 5883 -1 1 {} H 0.0 {0.383058 0.436014 0.321917} H2 5884 -1 1 {} H 0.0 {0.331464 0.373981 0.325013} H3 5885 -1 1 {} H 0.0 {0.325573 0.380868 0.311693} H4 5886 -1 1 {} H 0.0 {0.361231 0.361643 0.311541} H5 5887 -1 1 {} H 0.0 {0.34553 0.358004 0.314404} H6 5888 -1 1 {} H 0.0 {0.344078 0.400683 0.300819} H7 5889 -1 1 {} H 0.0 {0.356116 0.393966 0.292619} H8 5890 -1 1 {} H 0.0 {0.375673 0.392056 0.299516} H9 5891 -1 1 {} H 0.0 {0.38234 0.378327 0.295671} H10 5892 -1 1 {} H 0.0 {0.38384 0.381412 0.342275} H11 5893 -1 1 {} H 0.0 {0.398464 0.38278 0.333873} H12 5894 -1 1 {} H 0.0 {0.391375 0.359089 0.323073} H13 5895 -1 1 {} H 0.0 {0.377188 0.358878 0.331253} H14 5896 -1 1 {} H 0.0 {0.362995 0.450695 0.358174} H15 5897 -1 1 {} H 0.0 {0.418336 0.472789 0.381572} H16 5898 -1 1 {} H 0.0 {0.375259 0.429432 0.349001} H17 5899 -1 1 {} H 0.0 {0.398018 0.449937 0.370483} H18 5900 -1 1 {} H 0.0 {0.362826 0.436338 0.369608} H19 5901 -1 1 {} H 0.0 {0.358988 0.386381 0.350717} H20 5902 -1 1 {} H 0.0 {0.34638 0.387429 0.342522} H21 5903 -1 1 {} H 0.0 {0.338624 0.495954 0.484508} H22 5904 -1 14 {} Si 0.0 {0.625335 0.484112 0.673321} Si1 5905 -1 8 {} O 0.0 {0.628355 0.462914 0.656314} O1 5906 -1 14 {} Si 0.0 {0.621677 0.475818 0.649533} Si2 5907 -1 8 {} O 0.0 {0.650135 0.46797 0.6366} O2 5908 -1 14 {} Si 0.0 {0.639988 0.480499 0.631789} Si3 5909 -1 7 {} N 0.0 {0.646336 0.494582 0.629905} N1 5910 -1 14 {} Si 0.0 {0.692003 0.543675 0.643293} Si4 5911 -1 14 {} Si 0.0 {0.659712 0.499434 0.606296} Si5 5912 -1 7 {} N 0.0 {0.707097 0.533064 0.64972} N2 5913 -1 7 {} N 0.0 {0.695261 0.55755 0.63686} N3 5914 -1 7 {} N 0.0 {0.695142 0.480028 0.584389} N4 5915 -1 7 {} N 0.0 {0.644715 0.500915 0.616484} N5 5916 -1 7 {} N 0.0 {0.641769 0.482875 0.563777} N6 5917 -1 7 {} N 0.0 {0.653031 0.527498 0.573035} N7 5918 -1 8 {} O 0.0 {0.634142 0.471091 0.677434} O3 5919 -1 6 {} C 0.0 {0.512787 0.454151 0.6237} C1 5920 -1 8 {} O 0.0 {0.701913 0.469031 0.380342} O4 5921 -1 7 {} N 0.0 {0.494151 0.292531 0.690664} N8 5922 -1 8 {} O 0.0 {0.628974 0.46971 0.616899} O5 5923 -1 1 {} H 0.0 {0.645168 0.462374 0.643279} H1 5924 -1 1 {} H 0.0 {0.608951 0.471486 0.645313} H2 5925 -1 1 {} H 0.0 {0.705995 0.534703 0.659564} H3 5926 -1 1 {} H 0.0 {0.714132 0.54069 0.648543} H4 5927 -1 1 {} H 0.0 {0.687279 0.559762 0.630841} H5 5928 -1 1 {} H 0.0 {0.693043 0.722994 0.415795} H6 5929 -1 1 {} H 0.0 {0.658302 0.478653 0.684722} H7 5930 -1 1 {} H 0.0 {0.688954 0.484626 0.591254} H8 5931 -1 1 {} H 0.0 {0.625787 0.420669 0.630277} H9 5932 -1 1 {} H 0.0 {0.636536 0.4983 0.610654} H10 5933 -1 1 {} H 0.0 {0.633063 0.486261 0.561004} H11 5934 -1 1 {} H 0.0 {0.649027 0.48872 0.5595} H12 5935 -1 1 {} H 0.0 {0.652093 0.520401 0.580395} H13 5936 -1 1 {} H 0.0 {0.644275 0.526773 0.567703} H14 5937 -1 1 {} H 0.0 {0.461486 0.432777 0.628404} H15 5938 -1 1 {} H 0.0 {0.503025 0.456862 0.623271} H16 5939 -1 1 {} H 0.0 {0.518372 0.458423 0.615372} H17 5940 -1 1 {} H 0.0 {0.516909 0.454449 0.633516} H18 5941 -1 1 {} H 0.0 {0.0522754 0.364282 0.815629} H19 5942 -1 1 {} H 0.0 {0.500249 0.284887 0.69406} H20 5943 -1 1 {} H 0.0 {0.497879 0.300677 0.695875} H21 5944 -1 1 {} H 0.0 {0.636411 0.464248 0.612597} H22 5945 -1 14 {} Si 0.0 {0.574495 0.48539 0.581982} Si1 5946 -1 8 {} O 0.0 {0.563234 0.490015 0.571989} O1 5947 -1 14 {} Si 0.0 {0.563201 0.491452 0.556517} Si2 5948 -1 8 {} O 0.0 {0.568078 0.478127 0.551181} O2 5949 -1 14 {} Si 0.0 {0.567194 0.463344 0.548819} Si3 5950 -1 7 {} N 0.0 {0.584274 0.453227 0.546536} N1 5951 -1 14 {} Si 0.0 {0.584727 0.437361 0.541648} Si4 5952 -1 14 {} Si 0.0 {0.599379 0.458281 0.550996} Si5 5953 -1 7 {} N 0.0 {0.583031 0.437187 0.522325} N2 5954 -1 7 {} N 0.0 {0.568804 0.428611 0.54735} N3 5955 -1 7 {} N 0.0 {0.598844 0.426286 0.546676} N4 5956 -1 7 {} N 0.0 {0.612637 0.457912 0.537655} N5 5957 -1 7 {} N 0.0 {0.59845 0.477413 0.554087} N6 5958 -1 7 {} N 0.0 {0.607034 0.451358 0.567278} N7 5959 -1 8 {} O 0.0 {0.5345 0.4907 0.550148} O3 5960 -1 6 {} C 0.0 {0.577766 0.470372 0.588907} C1 5961 -1 8 {} O 0.0 {0.58416 0.497894 0.583152} O4 5962 -1 7 {} N 0.0 {0.557149 0.459158 0.533912} N8 5963 -1 8 {} O 0.0 {0.562045 0.457839 0.562346} O5 5964 -1 1 {} H 0.0 {0.598047 0.503797 0.530052} H1 5965 -1 1 {} H 0.0 {0.546545 0.492074 0.554028} H2 5966 -1 1 {} H 0.0 {0.588082 0.428297 0.52122} H3 5967 -1 1 {} H 0.0 {0.573336 0.435514 0.521622} H4 5968 -1 1 {} H 0.0 {0.567889 0.432501 0.556551} H5 5969 -1 1 {} H 0.0 {0.562448 0.434611 0.542013} H6 5970 -1 1 {} H 0.0 {0.596982 0.419862 0.554333} H7 5971 -1 1 {} H 0.0 {0.604753 0.433297 0.550346} H8 5972 -1 1 {} H 0.0 {0.621306 0.454756 0.542929} H9 5973 -1 1 {} H 0.0 {0.613771 0.467405 0.534131} H10 5974 -1 1 {} H 0.0 {0.60152 0.481426 0.545553} H11 5975 -1 1 {} H 0.0 {0.588847 0.479299 0.555131} H12 5976 -1 1 {} H 0.0 {0.616594 0.453257 0.565834} H13 5977 -1 1 {} H 0.0 {0.605436 0.44169 0.566635} H14 5978 -1 1 {} H 0.0 {0.530866 0.499534 0.554458} H15 5979 -1 1 {} H 0.0 {0.585601 0.467194 0.582384} H16 5980 -1 1 {} H 0.0 {0.569538 0.463959 0.590316} H17 5981 -1 1 {} H 0.0 {0.607914 0.567829 0.544418} H18 5982 -1 1 {} H 0.0 {0.586182 0.501903 0.574548} H19 5983 -1 1 {} H 0.0 {0.561873 0.451445 0.529474} H20 5984 -1 1 {} H 0.0 {0.556587 0.466421 0.526744} H21 5985 -1 1 {} H 0.0 {0.568509 0.452264 0.567543} H22 5986 -1 14 {} Si 0.0 {0.430588 0.456409 0.546483} Si1 5987 -1 8 {} O 0.0 {0.500449 0.430748 0.614977} O1 5988 -1 14 {} Si 0.0 {0.486582 0.43158 0.604816} Si2 5989 -1 8 {} O 0.0 {0.485676 0.416007 0.602427} O2 5990 -1 14 {} Si 0.0 {0.507711 0.431416 0.584187} Si3 5991 -1 7 {} N 0.0 {0.522563 0.437927 0.58897} N1 5992 -1 14 {} Si 0.0 {0.538119 0.438162 0.58242} Si4 5993 -1 14 {} Si 0.0 {0.514403 0.43678 0.616818} Si5 5994 -1 7 {} N 0.0 {0.536342 0.442134 0.562246} N2 5995 -1 7 {} N 0.0 {0.546215 0.454667 0.587464} N3 5996 -1 7 {} N 0.0 {0.533453 0.431468 0.550545} N4 5997 -1 7 {} N 0.0 {0.477033 0.364989 0.582406} N5 5998 -1 7 {} N 0.0 {0.524996 0.425202 0.629501} N6 5999 -1 7 {} N 0.0 {0.489824 0.372965 0.577749} N7 6000 -1 8 {} O 0.0 {0.534473 0.478237 0.499199} O3 6001 -1 6 {} C 0.0 {0.399713 0.468011 0.57955} C1 6002 -1 8 {} O 0.0 {0.43785 0.450996 0.53259} O4 6003 -1 7 {} N 0.0 {0.517472 0.361325 0.589314} N8 6004 -1 8 {} O 0.0 {0.494885 0.436109 0.592049} O5 6005 -1 1 {} H 0.0 {0.99358 0.904018 0.480323} H1 6006 -1 1 {} H 0.0 {0.275967 0.322354 0.556165} H2 6007 -1 1 {} H 0.0 {0.531047 0.451637 0.562377} H3 6008 -1 1 {} H 0.0 {0.546706 0.445432 0.56136} H4 6009 -1 1 {} H 0.0 {0.537937 0.459975 0.586294} H5 6010 -1 1 {} H 0.0 {0.553383 0.456394 0.580392} H6 6011 -1 1 {} H 0.0 {0.537944 0.422385 0.54997} H7 6012 -1 1 {} H 0.0 {0.535482 0.435441 0.541309} H8 6013 -1 1 {} H 0.0 {0.479562 0.355819 0.585418} H9 6014 -1 1 {} H 0.0 {0.473129 0.369661 0.590467} H10 6015 -1 1 {} H 0.0 {0.523391 0.430365 0.638033} H11 6016 -1 1 {} H 0.0 {0.518668 0.417295 0.629593} H12 6017 -1 1 {} H 0.0 {0.494226 0.369282 0.568831} H13 6018 -1 1 {} H 0.0 {0.497169 0.372687 0.584821} H14 6019 -1 1 {} H 0.0 {0.537704 0.478866 0.489107} H15 6020 -1 1 {} H 0.0 {0.395341 0.439486 0.584323} H16 6021 -1 1 {} H 0.0 {0.40522 0.474552 0.573437} H17 6022 -1 1 {} H 0.0 {0.439135 0.460206 0.56631} H18 6023 -1 1 {} H 0.0 {0.455083 0.445131 0.554429} H19 6024 -1 1 {} H 0.0 {0.512352 0.363021 0.598115} H20 6025 -1 1 {} H 0.0 {0.52089 0.370866 0.587172} H21 6026 -1 1 {} H 0.0 {0.533842 0.439206 0.607855} H22 6027 -1 14 {} Si 0.0 {0.551883 0.396174 0.625345} Si1 6028 -1 8 {} O 0.0 {0.606413 0.417041 0.640875} O1 6029 -1 14 {} Si 0.0 {0.61522 0.404213 0.637969} Si2 6030 -1 8 {} O 0.0 {0.609598 0.400031 0.62441} O2 6031 -1 14 {} Si 0.0 {0.602368 0.388905 0.615612} Si3 6032 -1 7 {} N 0.0 {0.602847 0.37292 0.626597} N1 6033 -1 14 {} Si 0.0 {0.591329 0.361731 0.628171} Si4 6034 -1 14 {} Si 0.0 {0.611387 0.369475 0.640655} Si5 6035 -1 7 {} N 0.0 {0.575301 0.365899 0.632183} N2 6036 -1 7 {} N 0.0 {0.568656 0.356933 0.642978} N3 6037 -1 7 {} N 0.0 {0.593946 0.348712 0.611665} N4 6038 -1 7 {} N 0.0 {0.620218 0.386881 0.645884} N5 6039 -1 7 {} N 0.0 {0.60012 0.362456 0.655212} N6 6040 -1 7 {} N 0.0 {0.624844 0.356842 0.63838} N7 6041 -1 8 {} O 0.0 {0.565351 0.39661 0.634692} O3 6042 -1 6 {} C 0.0 {0.549311 0.382415 0.61372} C1 6043 -1 8 {} O 0.0 {0.553759 0.415992 0.621794} O4 6044 -1 7 {} N 0.0 {0.607519 0.382219 0.598931} N8 6045 -1 8 {} O 0.0 {0.58888 0.396838 0.615508} O5 6046 -1 1 {} H 0.0 {0.538519 0.379962 0.614795} H1 6047 -1 1 {} H 0.0 {0.598637 0.418153 0.634712} H2 6048 -1 1 {} H 0.0 {0.573254 0.375903 0.632801} H3 6049 -1 1 {} H 0.0 {0.57647 0.312074 0.60197} H4 6050 -1 1 {} H 0.0 {0.559152 0.354743 0.640065} H5 6051 -1 1 {} H 0.0 {0.572019 0.347324 0.643161} H6 6052 -1 1 {} H 0.0 {0.600796 0.341102 0.612651} H7 6053 -1 1 {} H 0.0 {0.600185 0.356553 0.607108} H8 6054 -1 1 {} H 0.0 {0.629856 0.384154 0.645665} H9 6055 -1 1 {} H 0.0 {0.617701 0.388741 0.656126} H10 6056 -1 1 {} H 0.0 {0.599651 0.352236 0.652372} H11 6057 -1 1 {} H 0.0 {0.591323 0.367586 0.652731} H12 6058 -1 1 {} H 0.0 {0.620202 0.348153 0.642152} H13 6059 -1 1 {} H 0.0 {0.625215 0.354608 0.628353} H14 6060 -1 1 {} H 0.0 {0.573126 0.39978 0.628763} H15 6061 -1 1 {} H 0.0 {0.526103 0.355981 0.589645} H16 6062 -1 1 {} H 0.0 {0.550459 0.386679 0.603909} H17 6063 -1 1 {} H 0.0 {0.556936 0.374551 0.615294} H18 6064 -1 1 {} H 0.0 {0.543937 0.418822 0.62292} H19 6065 -1 1 {} H 0.0 {0.616213 0.376218 0.599785} H20 6066 -1 1 {} H 0.0 {0.609626 0.38894 0.591646} H21 6067 -1 1 {} H 0.0 {0.589917 0.405224 0.610618} H22 6068 -1 14 {} Si 0.0 {0.438009 0.552788 0.654876} Si1 6069 -1 8 {} O 0.0 {0.432488 0.541891 0.664038} O1 6070 -1 14 {} Si 0.0 {0.432256 0.527922 0.670834} Si2 6071 -1 8 {} O 0.0 {0.443495 0.520249 0.662774} O2 6072 -1 14 {} Si 0.0 {0.457181 0.519298 0.656675} Si3 6073 -1 7 {} N 0.0 {0.47075 0.512466 0.660886} N1 6074 -1 14 {} Si 0.0 {0.643479 0.550717 0.35953} Si4 6075 -1 14 {} Si 0.0 {0.486597 0.514355 0.658692} Si5 6076 -1 7 {} N 0.0 {0.563165 0.268898 0.390147} N2 6077 -1 7 {} N 0.0 {0.650284 0.556887 0.373785} N3 6078 -1 7 {} N 0.0 {0.449233 0.574213 0.676677} N4 6079 -1 7 {} N 0.0 {0.496926 0.507575 0.673709} N5 6080 -1 7 {} N 0.0 {0.492392 0.504346 0.646002} N6 6081 -1 7 {} N 0.0 {0.491597 0.532797 0.657503} N7 6082 -1 8 {} O 0.0 {0.428978 0.564847 0.659915} O3 6083 -1 6 {} C 0.0 {0.440223 0.549663 0.636267} C1 6084 -1 8 {} O 0.0 {0.453127 0.558498 0.666861} O4 6085 -1 7 {} N 0.0 {0.48495 0.469478 0.612281} N8 6086 -1 8 {} O 0.0 {0.455453 0.527147 0.643579} O5 6087 -1 1 {} H 0.0 {0.406417 0.504434 0.6436} H1 6088 -1 1 {} H 0.0 {0.436361 0.529624 0.684995} H2 6089 -1 1 {} H 0.0 {0.567746 0.274828 0.38322} H3 6090 -1 1 {} H 0.0 {0.552898 0.269786 0.389245} H4 6091 -1 1 {} H 0.0 {0.64891 0.566957 0.373069} H5 6092 -1 1 {} H 0.0 {0.645107 0.552786 0.38147} H6 6093 -1 1 {} H 0.0 {0.626791 0.546207 0.372323} H7 6094 -1 1 {} H 0.0 {0.695482 0.504509 0.321414} H8 6095 -1 1 {} H 0.0 {0.500068 0.516842 0.675728} H9 6096 -1 1 {} H 0.0 {0.503348 0.503584 0.666613} H10 6097 -1 1 {} H 0.0 {0.48714 0.495687 0.647626} H11 6098 -1 1 {} H 0.0 {0.4878 0.508359 0.637658} H12 6099 -1 1 {} H 0.0 {0.482812 0.536411 0.65935} H13 6100 -1 1 {} H 0.0 {0.493663 0.532989 0.647706} H14 6101 -1 1 {} H 0.0 {0.432639 0.568222 0.668448} H15 6102 -1 1 {} H 0.0 {0.448842 0.543305 0.634086} H16 6103 -1 1 {} H 0.0 {0.441091 0.559218 0.631526} H17 6104 -1 1 {} H 0.0 {0.430671 0.545444 0.632757} H18 6105 -1 1 {} H 0.0 {0.460812 0.56006 0.660457} H19 6106 -1 1 {} H 0.0 {0.486 0.475685 0.604154} H20 6107 -1 1 {} H 0.0 {0.49119 0.460972 0.609983} H21 6108 -1 1 {} H 0.0 {0.565214 0.259051 0.38929} H22 6109 -1 14 {} Si 0.0 {0.614848 0.335023 0.476854} Si1 6110 -1 8 {} O 0.0 {0.618162 0.330067 0.461381} O1 6111 -1 14 {} Si 0.0 {0.630341 0.33055 0.451204} Si2 6112 -1 8 {} O 0.0 {0.644796 0.30127 0.450054} O2 6113 -1 14 {} Si 0.0 {0.650959 0.311099 0.460783} Si3 6114 -1 7 {} N 0.0 {0.594446 0.687378 0.455185} N1 6115 -1 14 {} Si 0.0 {0.591353 0.681739 0.440819} Si4 6116 -1 14 {} Si 0.0 {0.601978 0.69641 0.466511} Si5 6117 -1 7 {} N 0.0 {0.47704 0.296297 0.4033} N2 6118 -1 7 {} N 0.0 {0.603946 0.682258 0.430483} N3 6119 -1 7 {} N 0.0 {0.57692 0.690427 0.431959} N4 6120 -1 7 {} N 0.0 {0.620639 0.700217 0.461769} N5 6121 -1 7 {} N 0.0 {0.677634 0.612465 0.502341} N6 6122 -1 7 {} N 0.0 {0.657066 0.681352 0.482518} N7 6123 -1 8 {} O 0.0 {0.634679 0.338098 0.484307} O3 6124 -1 6 {} C 0.0 {0.602631 0.326378 0.484743} C1 6125 -1 8 {} O 0.0 {0.612859 0.350784 0.472777} O4 6126 -1 7 {} N 0.0 {0.659898 0.314752 0.473888} N8 6127 -1 8 {} O 0.0 {0.28751 0.583777 0.537097} O5 6128 -1 1 {} H 0.0 {0.639772 0.32142 0.4559} H1 6129 -1 1 {} H 0.0 {0.646331 0.322123 0.427258} H2 6130 -1 1 {} H 0.0 {0.470661 0.290935 0.397996} H3 6131 -1 1 {} H 0.0 {0.486121 0.291777 0.401868} H4 6132 -1 1 {} H 0.0 {0.611576 0.687059 0.435392} H5 6133 -1 1 {} H 0.0 {0.616337 0.287999 0.552242} H6 6134 -1 1 {} H 0.0 {0.571022 0.682662 0.428267} H7 6135 -1 1 {} H 0.0 {0.578971 0.695061 0.422811} H8 6136 -1 1 {} H 0.0 {0.619619 0.710251 0.462943} H9 6137 -1 1 {} H 0.0 {0.621414 0.698775 0.451613} H10 6138 -1 1 {} H 0.0 {0.685486 0.618668 0.50075} H11 6139 -1 1 {} H 0.0 {0.681444 0.604334 0.508081} H12 6140 -1 1 {} H 0.0 {0.681605 0.540875 0.492997} H13 6141 -1 1 {} H 0.0 {0.649773 0.68774 0.486042} H14 6142 -1 1 {} H 0.0 {0.644664 0.333176 0.487583} H15 6143 -1 1 {} H 0.0 {0.599225 0.330378 0.493632} H16 6144 -1 1 {} H 0.0 {0.606536 0.316533 0.485715} H17 6145 -1 1 {} H 0.0 {0.589798 0.328174 0.47347} H18 6146 -1 1 {} H 0.0 {0.604122 0.351607 0.469438} H19 6147 -1 1 {} H 0.0 {0.4311 0.318716 0.474453} H20 6148 -1 1 {} H 0.0 {0.669986 0.316099 0.470838} H21 6149 -1 1 {} H 0.0 {0.295461 0.570727 0.542806} H22 6150 -1 14 {} Si 0.0 {0.470733 0.658548 0.279226} Si1 6151 -1 8 {} O 0.0 {0.483924 0.652199 0.285732} O1 6152 -1 14 {} Si 0.0 {0.490876 0.647765 0.300043} Si2 6153 -1 8 {} O 0.0 {0.506589 0.650356 0.301074} O2 6154 -1 14 {} Si 0.0 {0.519879 0.65244 0.310256} Si3 6155 -1 7 {} N 0.0 {0.514955 0.656866 0.325811} N1 6156 -1 14 {} Si 0.0 {0.510536 0.646544 0.3377} Si4 6157 -1 14 {} Si 0.0 {0.514156 0.676243 0.330862} Si5 6158 -1 7 {} N 0.0 {0.492687 0.647764 0.339032} N2 6159 -1 7 {} N 0.0 {0.518535 0.653624 0.353359} N3 6160 -1 7 {} N 0.0 {0.51635 0.628304 0.335346} N4 6161 -1 7 {} N 0.0 {0.51134 0.685887 0.314627} N5 6162 -1 7 {} N 0.0 {0.501824 0.679152 0.340322} N6 6163 -1 7 {} N 0.0 {0.53157 0.681474 0.338616} N7 6164 -1 8 {} O 0.0 {0.391391 0.648429 0.597888} O3 6165 -1 6 {} C 0.0 {0.455547 0.650117 0.276322} C1 6166 -1 8 {} O 0.0 {0.397928 0.697327 0.590997} O4 6167 -1 7 {} N 0.0 {0.569748 0.60092 0.303394} N8 6168 -1 8 {} O 0.0 {0.526669 0.638524 0.306896} O5 6169 -1 1 {} H 0.0 {0.486398 0.633272 0.303421} H1 6170 -1 1 {} H 0.0 {0.49439 0.672319 0.33988} H2 6171 -1 1 {} H 0.0 {0.488471 0.650939 0.330044} H3 6172 -1 1 {} H 0.0 {0.490561 0.637242 0.338856} H4 6173 -1 1 {} H 0.0 {0.522777 0.661705 0.349359} H5 6174 -1 1 {} H 0.0 {0.511397 0.658509 0.358455} H6 6175 -1 1 {} H 0.0 {0.52078 0.630889 0.325944} H7 6176 -1 1 {} H 0.0 {0.523824 0.625902 0.341682} H8 6177 -1 1 {} H 0.0 {0.50149 0.685963 0.315766} H9 6178 -1 1 {} H 0.0 {0.512823 0.678849 0.307627} H10 6179 -1 1 {} H 0.0 {0.485411 0.349065 0.352151} H11 6180 -1 1 {} H 0.0 {0.491437 0.352747 0.350553} H12 6181 -1 1 {} H 0.0 {0.529398 0.681673 0.348434} H13 6182 -1 1 {} H 0.0 {0.53005 0.691455 0.336741} H14 6183 -1 1 {} H 0.0 {0.447353 0.667656 0.301952} H15 6184 -1 1 {} H 0.0 {0.457459 0.643214 0.268516} H16 6185 -1 1 {} H 0.0 {0.451528 0.647693 0.285405} H17 6186 -1 1 {} H 0.0 {0.331564 0.665469 0.616617} H18 6187 -1 1 {} H 0.0 {0.426003 0.706468 0.574622} H19 6188 -1 1 {} H 0.0 {0.566203 0.604616 0.294662} H20 6189 -1 1 {} H 0.0 {0.568327 0.590524 0.303225} H21 6190 -1 1 {} H 0.0 {0.520176 0.631395 0.305415} H22 6191 -1 14 {} Si 0.0 {0.578018 0.380155 0.385576} Si1 6192 -1 8 {} O 0.0 {0.567892 0.384706 0.397572} O1 6193 -1 14 {} Si 0.0 {0.556701 0.380104 0.408444} Si2 6194 -1 8 {} O 0.0 {0.547002 0.39239 0.413308} O2 6195 -1 14 {} Si 0.0 {0.536653 0.426424 0.411532} Si3 6196 -1 7 {} N 0.0 {0.550653 0.428572 0.402058} N1 6197 -1 14 {} Si 0.0 {0.544064 0.420866 0.385357} Si4 6198 -1 14 {} Si 0.0 {0.565369 0.43042 0.39427} Si5 6199 -1 7 {} N 0.0 {0.561835 0.425486 0.374576} N2 6200 -1 7 {} N 0.0 {0.529321 0.430392 0.378086} N3 6201 -1 7 {} N 0.0 {0.543344 0.401711 0.384483} N4 6202 -1 7 {} N 0.0 {0.630946 0.479874 0.463822} N5 6203 -1 7 {} N 0.0 {0.57324 0.447781 0.395532} N6 6204 -1 7 {} N 0.0 {0.577489 0.417524 0.401209} N7 6205 -1 8 {} O 0.0 {0.565176 0.382729 0.370954} O3 6206 -1 6 {} C 0.0 {0.5892 0.365216 0.388328} C1 6207 -1 8 {} O 0.0 {0.584475 0.394572 0.384246} O4 6208 -1 7 {} N 0.0 {0.536987 0.442887 0.423852} N8 6209 -1 8 {} O 0.0 {0.517077 0.423857 0.405635} O5 6210 -1 1 {} H 0.0 {0.562912 0.373519 0.421935} H1 6211 -1 1 {} H 0.0 {0.54822 0.367984 0.402717} H2 6212 -1 1 {} H 0.0 {0.559442 0.434956 0.371007} H3 6213 -1 1 {} H 0.0 {0.559425 0.418683 0.366747} H4 6214 -1 1 {} H 0.0 {0.527345 0.424745 0.369981} H5 6215 -1 1 {} H 0.0 {0.533649 0.438422 0.374535} H6 6216 -1 1 {} H 0.0 {0.532829 0.401082 0.385463} H7 6217 -1 1 {} H 0.0 {0.546896 0.399004 0.393479} H8 6218 -1 1 {} H 0.0 {0.628301 0.47545 0.455091} H9 6219 -1 1 {} H 0.0 {0.623313 0.486613 0.466546} H10 6220 -1 1 {} H 0.0 {0.639679 0.48491 0.462969} H11 6221 -1 1 {} H 0.0 {0.567856 0.451944 0.387724} H12 6222 -1 1 {} H 0.0 {0.586741 0.421083 0.399813} H13 6223 -1 1 {} H 0.0 {0.574385 0.417913 0.410558} H14 6224 -1 1 {} H 0.0 {0.55983 0.388438 0.375607} H15 6225 -1 1 {} H 0.0 {0.598704 0.369831 0.389012} H16 6226 -1 1 {} H 0.0 {0.588734 0.358778 0.380331} H17 6227 -1 1 {} H 0.0 {0.586126 0.36136 0.39716} H18 6228 -1 1 {} H 0.0 {0.579211 0.401481 0.388828} H19 6229 -1 1 {} H 0.0 {0.530683 0.451055 0.421996} H20 6230 -1 1 {} H 0.0 {0.546231 0.446483 0.420578} H21 6231 -1 1 {} H 0.0 {0.517177 0.428452 0.397289} H22 6232 -1 14 {} Si 0.0 {0.639338 0.431057 0.535646} Si1 6233 -1 8 {} O 0.0 {0.63917 0.424531 0.549758} O1 6234 -1 14 {} Si 0.0 {0.642909 0.420385 0.565467} Si2 6235 -1 8 {} O 0.0 {0.64505 0.404163 0.564175} O2 6236 -1 14 {} Si 0.0 {0.640901 0.389882 0.567584} Si3 6237 -1 7 {} N 0.0 {0.647005 0.373696 0.559481} N1 6238 -1 14 {} Si 0.0 {0.662894 0.372548 0.554943} Si4 6239 -1 14 {} Si 0.0 {0.63982 0.358816 0.558399} Si5 6240 -1 7 {} N 0.0 {0.672595 0.360815 0.567853} N2 6241 -1 7 {} N 0.0 {0.671048 0.389762 0.556172} N3 6242 -1 7 {} N 0.0 {0.66546 0.36577 0.536765} N4 6243 -1 7 {} N 0.0 {0.633084 0.35419 0.573733} N5 6244 -1 7 {} N 0.0 {0.62414 0.360607 0.547785} N6 6245 -1 7 {} N 0.0 {0.650489 0.342713 0.551038} N7 6246 -1 8 {} O 0.0 {0.639269 0.445885 0.54204} O3 6247 -1 6 {} C 0.0 {0.626053 0.426257 0.521879} C1 6248 -1 8 {} O 0.0 {0.65454 0.428271 0.533089} O4 6249 -1 7 {} N 0.0 {0.621921 0.385755 0.567874} N8 6250 -1 8 {} O 0.0 {0.644657 0.390258 0.583328} O5 6251 -1 1 {} H 0.0 {0.631455 0.423828 0.573803} H1 6252 -1 1 {} H 0.0 {0.65979 0.420319 0.588227} H2 6253 -1 1 {} H 0.0 {0.665937 0.362462 0.57536} H3 6254 -1 1 {} H 0.0 {0.68001 0.367575 0.570301} H4 6255 -1 1 {} H 0.0 {0.66373 0.395967 0.55754} H5 6256 -1 1 {} H 0.0 {0.676069 0.389664 0.565176} H6 6257 -1 1 {} H 0.0 {0.655648 0.364705 0.534375} H7 6258 -1 1 {} H 0.0 {0.668113 0.374374 0.531544} H8 6259 -1 1 {} H 0.0 {0.627494 0.363607 0.575483} H9 6260 -1 1 {} H 0.0 {0.639619 0.353642 0.581364} H10 6261 -1 1 {} H 0.0 {0.626232 0.355112 0.539476} H11 6262 -1 1 {} H 0.0 {0.618006 0.355019 0.554043} H12 6263 -1 1 {} H 0.0 {0.660544 0.344908 0.553722} H13 6264 -1 1 {} H 0.0 {0.651112 0.345845 0.541226} H14 6265 -1 1 {} H 0.0 {0.647788 0.450074 0.540776} H15 6266 -1 1 {} H 0.0 {0.630801 0.425742 0.51248} H16 6267 -1 1 {} H 0.0 {0.617451 0.432848 0.521881} H17 6268 -1 1 {} H 0.0 {0.623358 0.41655 0.524573} H18 6269 -1 1 {} H 0.0 {0.660927 0.43251 0.539476} H19 6270 -1 1 {} H 0.0 {0.62226 0.376837 0.561909} H20 6271 -1 1 {} H 0.0 {0.621253 0.382453 0.577352} H21 6272 -1 1 {} H 0.0 {0.652039 0.38404 0.584343} H22 6273 -1 14 {} Si 0.0 {0.653799 0.44964 0.456277} Si1 6274 -1 8 {} O 0.0 {0.65222 0.445978 0.471617} O1 6275 -1 14 {} Si 0.0 {0.662659 0.428134 0.494172} Si2 6276 -1 8 {} O 0.0 {0.655788 0.438942 0.503638} O2 6277 -1 14 {} Si 0.0 {0.651857 0.401849 0.505542} Si3 6278 -1 7 {} N 0.0 {0.660714 0.388441 0.495771} N1 6279 -1 14 {} Si 0.0 {0.670526 0.392911 0.483251} Si4 6280 -1 14 {} Si 0.0 {0.658467 0.372817 0.498767} Si5 6281 -1 7 {} N 0.0 {0.667287 0.384736 0.466559} N2 6282 -1 7 {} N 0.0 {0.689152 0.387874 0.48602} N3 6283 -1 7 {} N 0.0 {0.671883 0.413884 0.48226} N4 6284 -1 7 {} N 0.0 {0.651478 0.361154 0.485637} N5 6285 -1 7 {} N 0.0 {0.675543 0.365908 0.505438} N6 6286 -1 7 {} N 0.0 {0.646549 0.36995 0.514307} N7 6287 -1 8 {} O 0.0 {0.634352 0.457941 0.439324} O3 6288 -1 6 {} C 0.0 {0.643564 0.444103 0.443839} C1 6289 -1 8 {} O 0.0 {0.67447 0.444338 0.460517} O4 6290 -1 7 {} N 0.0 {0.557935 0.531555 0.437865} N8 6291 -1 8 {} O 0.0 {0.63614 0.402608 0.503566} O5 6292 -1 1 {} H 0.0 {0.656976 0.414694 0.49971} H1 6293 -1 1 {} H 0.0 {0.629161 0.52344 0.364124} H2 6294 -1 1 {} H 0.0 {0.672102 0.390838 0.460237} H3 6295 -1 1 {} H 0.0 {0.673918 0.376869 0.467066} H4 6296 -1 1 {} H 0.0 {0.693985 0.39665 0.488229} H5 6297 -1 1 {} H 0.0 {0.688793 0.382891 0.494496} H6 6298 -1 1 {} H 0.0 {0.670939 0.41745 0.472377} H7 6299 -1 1 {} H 0.0 {0.682165 0.414326 0.484613} H8 6300 -1 1 {} H 0.0 {0.653908 0.365983 0.476484} H9 6301 -1 1 {} H 0.0 {0.658017 0.353709 0.486757} H10 6302 -1 1 {} H 0.0 {0.672027 0.358137 0.510604} H11 6303 -1 1 {} H 0.0 {0.67892 0.372154 0.512394} H12 6304 -1 1 {} H 0.0 {0.639376 0.364545 0.509755} H13 6305 -1 1 {} H 0.0 {0.64302 0.379213 0.515302} H14 6306 -1 1 {} H 0.0 {0.641661 0.464442 0.43717} H15 6307 -1 1 {} H 0.0 {0.637221 0.435873 0.446683} H16 6308 -1 1 {} H 0.0 {0.728421 0.490306 0.420209} H17 6309 -1 1 {} H 0.0 {0.650465 0.441425 0.436364} H18 6310 -1 1 {} H 0.0 {0.67362 0.447541 0.469979} H19 6311 -1 1 {} H 0.0 {0.566203 0.536154 0.44143} H20 6312 -1 1 {} H 0.0 {0.556632 0.535949 0.428655} H21 6313 -1 1 {} H 0.0 {0.631411 0.397643 0.510369} H22 6314 -1 14 {} Si 0.0 {0.336267 0.412879 0.597669} Si1 6315 -1 8 {} O 0.0 {0.345428 0.432397 0.62495} O1 6316 -1 14 {} Si 0.0 {0.40866 0.355761 0.256132} Si2 6317 -1 8 {} O 0.0 {0.409654 0.359879 0.271396} O2 6318 -1 14 {} Si 0.0 {0.41788 0.366729 0.283072} Si3 6319 -1 7 {} N 0.0 {0.43446 0.363191 0.283519} N1 6320 -1 14 {} Si 0.0 {0.445836 0.358393 0.295376} Si4 6321 -1 14 {} Si 0.0 {0.446278 0.367681 0.269181} Si5 6322 -1 7 {} N 0.0 {0.439619 0.343524 0.30296} N2 6323 -1 7 {} N 0.0 {0.445573 0.3703 0.309928} N3 6324 -1 7 {} N 0.0 {0.464573 0.353812 0.291414} N4 6325 -1 7 {} N 0.0 {0.439498 0.378085 0.25412} N5 6326 -1 7 {} N 0.0 {0.458972 0.381866 0.273335} N6 6327 -1 7 {} N 0.0 {0.455237 0.355579 0.263581} N7 6328 -1 8 {} O 0.0 {0.336046 0.426868 0.604812} O3 6329 -1 6 {} C 0.0 {0.34062 0.403206 0.635049} C1 6330 -1 8 {} O 0.0 {0.434572 0.342235 0.249249} O4 6331 -1 7 {} N 0.0 {0.410527 0.359074 0.299539} N8 6332 -1 8 {} O 0.0 {0.412594 0.381211 0.281759} O5 6333 -1 1 {} H 0.0 {0.422822 0.348414 0.251974} H1 6334 -1 1 {} H 0.0 {0.392198 0.344138 0.263887} H2 6335 -1 1 {} H 0.0 {0.42972 0.344108 0.302159} H3 6336 -1 1 {} H 0.0 {0.442498 0.345505 0.312716} H4 6337 -1 1 {} H 0.0 {0.454747 0.374616 0.30931} H5 6338 -1 1 {} H 0.0 {0.438865 0.377364 0.308189} H6 6339 -1 1 {} H 0.0 {0.468303 0.355371 0.300561} H7 6340 -1 1 {} H 0.0 {0.466384 0.362125 0.285888} H8 6341 -1 1 {} H 0.0 {0.435639 0.38591 0.25866} H9 6342 -1 1 {} H 0.0 {0.431956 0.372201 0.25116} H10 6343 -1 1 {} H 0.0 {0.461892 0.38651 0.264775} H11 6344 -1 1 {} H 0.0 {0.453366 0.38837 0.278423} H12 6345 -1 1 {} H 0.0 {0.447275 0.322837 0.298208} H13 6346 -1 1 {} H 0.0 {0.457191 0.347192 0.269204} H14 6347 -1 1 {} H 0.0 {0.341123 0.413618 0.634358} H15 6348 -1 1 {} H 0.0 {0.356646 0.409733 0.615654} H16 6349 -1 1 {} H 0.0 {0.320244 0.40098 0.609331} H17 6350 -1 1 {} H 0.0 {0.565682 0.405869 0.699787} H18 6351 -1 1 {} H 0.0 {0.441246 0.349975 0.250836} H19 6352 -1 1 {} H 0.0 {0.404415 0.35185 0.295458} H20 6353 -1 1 {} H 0.0 {0.405284 0.367736 0.301885} H21 6354 -1 1 {} H 0.0 {0.408641 0.383152 0.272395} H22 6355 -1 14 {} Si 0.0 {0.61978 0.419448 0.411365} Si1 6356 -1 8 {} O 0.0 {0.627292 0.434156 0.411967} O1 6357 -1 14 {} Si 0.0 {0.631257 0.448744 0.413576} Si2 6358 -1 8 {} O 0.0 {0.646119 0.446883 0.40931} O2 6359 -1 14 {} Si 0.0 {0.649168 0.4559 0.396948} Si3 6360 -1 7 {} N 0.0 {0.653962 0.446168 0.380231} N1 6361 -1 14 {} Si 0.0 {0.668709 0.445508 0.373213} Si4 6362 -1 14 {} Si 0.0 {0.641734 0.437411 0.37355} Si5 6363 -1 7 {} N 0.0 {0.671305 0.457488 0.358262} N2 6364 -1 7 {} N 0.0 {0.674145 0.427889 0.368895} N3 6365 -1 7 {} N 0.0 {0.680006 0.449865 0.387624} N4 6366 -1 7 {} N 0.0 {0.639149 0.440561 0.354933} N5 6367 -1 7 {} N 0.0 {0.644559 0.418057 0.374422} N6 6368 -1 7 {} N 0.0 {0.624171 0.441026 0.380884} N7 6369 -1 8 {} O 0.0 {0.605569 0.424385 0.405232} O3 6370 -1 6 {} C 0.0 {0.619662 0.407913 0.427391} C1 6371 -1 8 {} O 0.0 {0.624882 0.414659 0.396718} O4 6372 -1 7 {} N 0.0 {0.658934 0.471775 0.395229} N8 6373 -1 8 {} O 0.0 {0.630328 0.464761 0.400548} O5 6374 -1 1 {} H 0.0 {0.632299 0.454597 0.429627} H1 6375 -1 1 {} H 0.0 {0.550156 0.536185 0.443634} H2 6376 -1 1 {} H 0.0 {0.678467 0.463677 0.362237} H3 6377 -1 1 {} H 0.0 {0.662664 0.462442 0.356493} H4 6378 -1 1 {} H 0.0 {0.665487 0.42268 0.369595} H5 6379 -1 1 {} H 0.0 {0.679745 0.425204 0.377408} H6 6380 -1 1 {} H 0.0 {0.684907 0.441314 0.389764} H7 6381 -1 1 {} H 0.0 {0.672952 0.450993 0.39504} H8 6382 -1 1 {} H 0.0 {0.647752 0.445179 0.352596} H9 6383 -1 1 {} H 0.0 {0.631217 0.447113 0.354395} H10 6384 -1 1 {} H 0.0 {0.638277 0.415821 0.382187} H11 6385 -1 1 {} H 0.0 {0.639304 0.414819 0.366613} H12 6386 -1 1 {} H 0.0 {0.626849 0.451106 0.383792} H13 6387 -1 1 {} H 0.0 {0.622788 0.437069 0.390107} H14 6388 -1 1 {} H 0.0 {0.606836 0.430851 0.398194} H15 6389 -1 1 {} H 0.0 {0.621224 0.414992 0.435172} H16 6390 -1 1 {} H 0.0 {0.627326 0.400005 0.427384} H17 6391 -1 1 {} H 0.0 {0.61018 0.403273 0.428577} H18 6392 -1 1 {} H 0.0 {0.623654 0.405181 0.395087} H19 6393 -1 1 {} H 0.0 {0.663182 0.472485 0.404698} H20 6394 -1 1 {} H 0.0 {0.666987 0.470977 0.389137} H21 6395 -1 1 {} H 0.0 {0.632353 0.471946 0.407045} H22 6396 -1 14 {} Si 0.0 {0.611851 0.292238 0.636478} Si1 6397 -1 8 {} O 0.0 {0.611381 0.289777 0.620941} O1 6398 -1 14 {} Si 0.0 {0.617593 0.285206 0.607148} Si2 6399 -1 8 {} O 0.0 {0.625746 0.297006 0.601182} O2 6400 -1 14 {} Si 0.0 {0.640128 0.303133 0.597178} Si3 6401 -1 7 {} N 0.0 {0.644675 0.318119 0.601998} N1 6402 -1 14 {} Si 0.0 {0.636763 0.328515 0.611988} Si4 6403 -1 14 {} Si 0.0 {0.658747 0.327182 0.599831} Si5 6404 -1 7 {} N 0.0 {0.618152 0.322552 0.615253} N2 6405 -1 7 {} N 0.0 {0.632773 0.346055 0.604038} N3 6406 -1 7 {} N 0.0 {0.641296 0.328468 0.6316} N4 6407 -1 7 {} N 0.0 {0.65871 0.333058 0.581404} N5 6408 -1 7 {} N 0.0 {0.665087 0.338841 0.613751} N6 6409 -1 7 {} N 0.0 {0.671285 0.312339 0.599221} N7 6410 -1 8 {} O 0.0 {0.571125 0.318177 0.60831} O3 6411 -1 6 {} C 0.0 {0.608943 0.276644 0.64695} C1 6412 -1 8 {} O 0.0 {0.624752 0.300824 0.639657} O4 6413 -1 7 {} N 0.0 {0.646066 0.30091 0.579323} N8 6414 -1 8 {} O 0.0 {0.65085 0.288745 0.608384} O5 6415 -1 1 {} H 0.0 {0.621171 0.28522 0.57859} H1 6416 -1 1 {} H 0.0 {0.624395 0.267133 0.599449} H2 6417 -1 1 {} H 0.0 {0.620956 0.315724 0.622724} H3 6418 -1 1 {} H 0.0 {0.615538 0.315958 0.607756} H4 6419 -1 1 {} H 0.0 {0.63435 0.342093 0.594542} H5 6420 -1 1 {} H 0.0 {0.622709 0.34644 0.604525} H6 6421 -1 1 {} H 0.0 {0.632741 0.323991 0.634905} H7 6422 -1 1 {} H 0.0 {0.639064 0.338582 0.631358} H8 6423 -1 1 {} H 0.0 {0.661461 0.34296 0.583132} H9 6424 -1 1 {} H 0.0 {0.648937 0.334605 0.578635} H10 6425 -1 1 {} H 0.0 {0.657713 0.34382 0.618706} H11 6426 -1 1 {} H 0.0 {0.666947 0.331892 0.62091} H12 6427 -1 1 {} H 0.0 {0.665765 0.304634 0.601559} H13 6428 -1 1 {} H 0.0 {0.673109 0.312242 0.589554} H14 6429 -1 1 {} H 0.0 {0.561771 0.316695 0.604904} H15 6430 -1 1 {} H 0.0 {0.605094 0.269818 0.639887} H16 6431 -1 1 {} H 0.0 {0.600554 0.279647 0.653141} H17 6432 -1 1 {} H 0.0 {0.617595 0.273174 0.65166} H18 6433 -1 1 {} H 0.0 {0.631934 0.297626 0.633412} H19 6434 -1 1 {} H 0.0 {0.638072 0.304169 0.57403} H20 6435 -1 1 {} H 0.0 {0.651962 0.309066 0.578944} H21 6436 -1 1 {} H 0.0 {0.645093 0.281155 0.608009} H22 6437 -1 14 {} Si 0.0 {0.29304 0.348454 0.507263} Si1 6438 -1 8 {} O 0.0 {0.28231 0.358963 0.503378} O1 6439 -1 14 {} Si 0.0 {0.271989 0.364368 0.492939} Si2 6440 -1 8 {} O 0.0 {0.267239 0.351349 0.48625} O2 6441 -1 14 {} Si 0.0 {0.270457 0.33934 0.476382} Si3 6442 -1 7 {} N 0.0 {0.280233 0.341663 0.46236} N1 6443 -1 14 {} Si 0.0 {0.28586 0.332118 0.449855} Si4 6444 -1 14 {} Si 0.0 {0.284881 0.356856 0.45742} Si5 6445 -1 7 {} N 0.0 {0.295162 0.338687 0.433506} N2 6446 -1 7 {} N 0.0 {0.271396 0.319788 0.445716} N3 6447 -1 7 {} N 0.0 {0.299457 0.320316 0.456581} N4 6448 -1 7 {} N 0.0 {0.30545 0.360531 0.453391} N5 6449 -1 7 {} N 0.0 {0.274162 0.367902 0.445392} N6 6450 -1 7 {} N 0.0 {0.656922 0.399883 0.524485} N7 6451 -1 8 {} O 0.0 {0.257003 0.330736 0.477996} O3 6452 -1 6 {} C 0.0 {0.309894 0.345813 0.504332} C1 6453 -1 8 {} O 0.0 {0.281794 0.375586 0.478586} O4 6454 -1 7 {} N 0.0 {0.636107 0.377482 0.619319} N8 6455 -1 8 {} O 0.0 {0.698946 0.357661 0.526889} O5 6456 -1 1 {} H 0.0 {0.250566 0.335624 0.482036} H1 6457 -1 1 {} H 0.0 {0.261662 0.371599 0.500361} H2 6458 -1 1 {} H 0.0 {0.302609 0.332273 0.43122} H3 6459 -1 1 {} H 0.0 {0.288314 0.336791 0.42621} H4 6460 -1 1 {} H 0.0 {0.276074 0.311193 0.448054} H5 6461 -1 1 {} H 0.0 {0.264023 0.321142 0.452547} H6 6462 -1 1 {} H 0.0 {0.306802 0.320286 0.449592} H7 6463 -1 1 {} H 0.0 {0.304449 0.324544 0.464644} H8 6464 -1 1 {} H 0.0 {0.305378 0.351638 0.449053} H9 6465 -1 1 {} H 0.0 {0.309267 0.359551 0.463203} H10 6466 -1 1 {} H 0.0 {0.281641 0.371722 0.439762} H11 6467 -1 1 {} H 0.0 {0.270344 0.374675 0.451756} H12 6468 -1 1 {} H 0.0 {0.358612 0.650895 0.326023} H13 6469 -1 1 {} H 0.0 {0.654495 0.409571 0.528087} H14 6470 -1 1 {} H 0.0 {0.283028 0.367926 0.469714} H15 6471 -1 1 {} H 0.0 {0.315564 0.34562 0.513636} H16 6472 -1 1 {} H 0.0 {0.291052 0.308312 0.470567} H17 6473 -1 1 {} H 0.0 {0.311323 0.336217 0.498713} H18 6474 -1 1 {} H 0.0 {0.291161 0.376093 0.48186} H19 6475 -1 1 {} H 0.0 {0.635658 0.367159 0.617665} H20 6476 -1 1 {} H 0.0 {0.626786 0.379655 0.623205} H21 6477 -1 1 {} H 0.0 {0.275905 0.314142 0.534994} H22 6478 -1 14 {} Si 0.0 {0.596736 0.622971 0.585569} Si1 6479 -1 8 {} O 0.0 {0.583422 0.599266 0.587518} O1 6480 -1 14 {} Si 0.0 {0.595451 0.593213 0.595147} Si2 6481 -1 8 {} O 0.0 {0.605188 0.589539 0.583784} O2 6482 -1 14 {} Si 0.0 {0.60952 0.584412 0.569516} Si3 6483 -1 7 {} N 0.0 {0.626953 0.575778 0.569063} N1 6484 -1 14 {} Si 0.0 {0.635943 0.567514 0.557634} Si4 6485 -1 14 {} Si 0.0 {0.63391 0.574217 0.584165} Si5 6486 -1 7 {} N 0.0 {0.631997 0.548658 0.553549} N2 6487 -1 7 {} N 0.0 {0.654611 0.568364 0.561386} N3 6488 -1 7 {} N 0.0 {0.633062 0.577525 0.541355} N4 6489 -1 7 {} N 0.0 {0.642509 0.556912 0.585602} N5 6490 -1 7 {} N 0.0 {0.64645 0.588919 0.587799} N6 6491 -1 7 {} N 0.0 {0.622723 0.571986 0.599154} N7 6492 -1 8 {} O 0.0 {0.58913 0.633166 0.594541} O3 6493 -1 6 {} C 0.0 {0.597282 0.624635 0.566837} C1 6494 -1 8 {} O 0.0 {0.609278 0.621417 0.59544} O4 6495 -1 7 {} N 0.0 {0.609885 0.597163 0.555543} N8 6496 -1 8 {} O 0.0 {0.599509 0.57334 0.567435} O5 6497 -1 1 {} H 0.0 {0.601991 0.605023 0.601576} H1 6498 -1 1 {} H 0.0 {0.58656 0.608716 0.58592} H2 6499 -1 1 {} H 0.0 {0.622546 0.54696 0.55758} H3 6500 -1 1 {} H 0.0 {0.63784 0.545133 0.560085} H4 6501 -1 1 {} H 0.0 {0.656993 0.558881 0.563249} H5 6502 -1 1 {} H 0.0 {0.65534 0.573609 0.57035} H6 6503 -1 1 {} H 0.0 {0.642398 0.577971 0.537022} H7 6504 -1 1 {} H 0.0 {0.632801 0.587026 0.546019} H8 6505 -1 1 {} H 0.0 {0.643996 0.557309 0.595708} H9 6506 -1 1 {} H 0.0 {0.633617 0.552395 0.58508} H10 6507 -1 1 {} H 0.0 {0.644535 0.590657 0.597787} H11 6508 -1 1 {} H 0.0 {0.654122 0.582669 0.588941} H12 6509 -1 1 {} H 0.0 {0.616056 0.579453 0.596827} H13 6510 -1 1 {} H 0.0 {0.628046 0.573924 0.608113} H14 6511 -1 1 {} H 0.0 {0.591971 0.642466 0.59369} H15 6512 -1 1 {} H 0.0 {0.602843 0.616254 0.563686} H16 6513 -1 1 {} H 0.0 {0.600929 0.634437 0.564676} H17 6514 -1 1 {} H 0.0 {0.587093 0.624867 0.562918} H18 6515 -1 1 {} H 0.0 {0.617121 0.620761 0.590212} H19 6516 -1 1 {} H 0.0 {0.606872 0.592416 0.546855} H20 6517 -1 1 {} H 0.0 {0.620094 0.597882 0.554243} H21 6518 -1 1 {} H 0.0 {0.591045 0.573407 0.572425} H22 6519 -1 14 {} Si 0.0 {0.526549 0.399303 0.587259} Si1 6520 -1 8 {} O 0.0 {0.542128 0.403885 0.58922} O1 6521 -1 14 {} Si 0.0 {0.552571 0.415898 0.591317} Si2 6522 -1 8 {} O 0.0 {0.56686 0.415666 0.582657} O2 6523 -1 14 {} Si 0.0 {0.581631 0.420442 0.582375} Si3 6524 -1 7 {} N 0.0 {0.591542 0.421211 0.595988} N1 6525 -1 14 {} Si 0.0 {0.596602 0.430305 0.608722} Si4 6526 -1 14 {} Si 0.0 {0.641092 0.489394 0.581738} Si5 6527 -1 7 {} N 0.0 {0.701066 0.437973 0.4196} N2 6528 -1 7 {} N 0.0 {0.628443 0.510977 0.54987} N3 6529 -1 7 {} N 0.0 {0.655143 0.459155 0.602194} N4 6530 -1 7 {} N 0.0 {0.654931 0.49417 0.588491} N5 6531 -1 7 {} N 0.0 {0.681966 0.545812 0.656188} N6 6532 -1 7 {} N 0.0 {0.677285 0.496016 0.554896} N7 6533 -1 8 {} O 0.0 {0.552306 0.472919 0.613655} O3 6534 -1 6 {} C 0.0 {0.510986 0.417041 0.574214} C1 6535 -1 8 {} O 0.0 {0.523962 0.391458 0.601287} O4 6536 -1 7 {} N 0.0 {0.581477 0.438476 0.575366} N8 6537 -1 8 {} O 0.0 {0.586568 0.410291 0.571038} O5 6538 -1 1 {} H 0.0 {0.554297 0.416477 0.608024} H1 6539 -1 1 {} H 0.0 {0.544987 0.427806 0.586265} H2 6540 -1 1 {} H 0.0 {0.69617 0.446294 0.422661} H3 6541 -1 1 {} H 0.0 {0.699427 0.430659 0.426945} H4 6542 -1 1 {} H 0.0 {0.631369 0.520375 0.548882} H5 6543 -1 1 {} H 0.0 {0.634229 0.505532 0.543694} H6 6544 -1 1 {} H 0.0 {0.653951 0.468284 0.597172} H7 6545 -1 1 {} H 0.0 {0.665156 0.45836 0.604132} H8 6546 -1 1 {} H 0.0 {0.722128 0.0244947 0.364704} H9 6547 -1 1 {} H 0.0 {0.502336 0.48096 0.664568} H10 6548 -1 1 {} H 0.0 {0.690997 0.360502 0.52223} H11 6549 -1 1 {} H 0.0 {0.69351 0.345549 0.572766} H12 6550 -1 1 {} H 0.0 {0.675557 0.496803 0.544755} H13 6551 -1 1 {} H 0.0 {0.68585 0.490626 0.556558} H14 6552 -1 1 {} H 0.0 {0.549443 0.466781 0.607308} H15 6553 -1 1 {} H 0.0 {0.501857 0.413371 0.572364} H16 6554 -1 1 {} H 0.0 {0.517696 0.412478 0.590008} H17 6555 -1 1 {} H 0.0 {0.516715 0.419058 0.56592} H18 6556 -1 1 {} H 0.0 {0.523136 0.381761 0.599902} H19 6557 -1 1 {} H 0.0 {0.584934 0.4355 0.56599} H20 6558 -1 1 {} H 0.0 {0.589712 0.442347 0.580255} H21 6559 -1 1 {} H 0.0 {0.578225 0.407515 0.566526} 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 2344 2342 0 0 6122 1237 0 0 5295 5294 0 0 4625 4606 0 0 3892 3871 0 0 3317 3296 0 0 2694 2677 0 0 2068 2054 0 0 4983 4969 0 0 2194 2181 0 0 3763 3744 0 0 4623 4605 0 0 3890 3869 0 0 3889 3869 0 0 6129 588 0 0 4042 4027 0 0 81 59 0 0 514 500 0 0 4303 4281 0 0 1532 1517 0 0 3761 3743 0 0 4621 4604 0 0 3179 3165 0 0 78 57 0 0 6094 5264 0 0 5527 5508 0 0 4851 4078 0 0 2094 2093 0 0 3572 921 0 0 5027 5012 0 0 2898 2881 0 0 3758 3742 0 0 3885 3867 0 0 4665 4646 0 0 4165 4150 0 0 3525 3503 0 0 4117 3586 0 0 2896 2880 0 0 5152 5136 0 0 4440 4435 0 0 4439 4435 0 0 3756 3741 0 0 5672 3381 0 0 1614 1599 0 0 3883 3866 0 0 1083 207 0 0 2663 2641 0 0 4790 4771 0 0 3523 3502 0 0 1338 1322 0 0 4290 4274 0 0 4289 4274 0 0 3627 3614 0 0 3577 3573 0 0 3952 3685 0 0 3754 3740 0 0 3713 3699 0 0 2325 2308 0 0 2480 2477 0 0 455 454 0 0 2787 2765 0 0 5382 2628 0 0 885 870 0 0 6473 6452 0 0 6412 6396 0 0 2824 2803 0 0 1463 1446 0 0 5775 5755 0 0 3330 292 0 2 151 134 0 0 619 618 0 0 1009 994 0 0 1010 994 0 0 4188 4187 0 2 2785 2764 0 0 2211 2190 0 0 3749 3737 0 0 2948 2927 0 0 5636 4893 0 0 4769 2592 0 0 2529 2512 0 0 5399 5383 0 0 2656 2637 0 0 397 380 0 0 5667 787 0 0 2223 2220 0 0 2152 418 0 0 470 453 0 0 696 657 0 0 823 820 0 0 5174 5172 0 0 6416 2023 0 0 2527 2511 0 0 238 219 0 0 3934 3912 0 0 3377 3362 0 3 2654 2636 0 0 2573 2555 0 0 4237 4223 0 0 2781 2762 0 0 2113 2099 0 0 6385 6367 0 0 5921 2405 0 0 4421 4402 0 0 2525 2510 0 0 6160 6156 0 0 6159 6156 0 0 2652 2635 0 0 6314 5795 0 2 3558 3539 0 0 1485 1482 0 0 5807 5791 0 0 4419 4400 0 0 3058 3043 0 0 881 863 0 0 5348 5334 0 0 694 673 0 0 1789 1773 0 0 4045 4029 0 0 3333 3328 0 0 2649 2634 0 0 2650 2634 0 0 3499 3485 0 0 2776 2759 0 0 4360 4346 0 0 1534 1521 0 0 1556 1534 0 0 3683 3664 0 0 858 837 0 0 3183 3167 0 0 1787 1772 0 0 6228 6207 0 0 2647 2633 0 0 2774 2758 0 0 6459 6445 0 0 5031 5014 0 0 3779 881 0 0 1554 1533 0 0 5239 5220 0 0 5366 5345 0 0 5305 5289 0 0 2541 2519 0 0 1785 1771 0 0 6226 6206 0 0 5493 5471 0 0 5471 5457 0 0 2645 2632 0 0 2605 2591 0 0 1217 1200 0 0 6331 6318 0 0 4168 4152 0 0 2772 2757 0 0 2148 2132 0 2 2095 2094 0 0 1552 1532 0 0 1678 1657 0 0 1104 1083 0 0 6224 6205 0 0 5491 5470 0 0 2770 2756 0 0 1342 1324 0 0 5654 5633 0 0 4293 4276 0 0 5801 4839 0 0 3081 3078 0 0 363 343 0 0 5362 5343 0 0 903 902 0 0 1116 1113 0 0 6222 6204 0 0 5488 5468 0 0 192 175 0 0 808 791 0 0 2827 2805 0 0 2271 2255 0 0 527 507 0 0 642 626 0 0 1466 1448 0 0 1547 1529 0 0 5778 5757 0 0 4499 4481 0 0 3131 3116 0 0 5360 5342 0 0 5359 5342 0 0 6139 6121 0 0 5486 5467 0 0 356 339 0 0 1418 1403 0 0 6451 6441 0 0 4939 4927 0 0 4793 1861 0 0 1545 1528 0 0 5357 5341 0 0 2452 2433 0 0 521 504 0 0 774 753 0 0 888 872 0 0 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0 5050 4777 5707 {0 0 0} 0 5051 6030 6029 {0 0 0} 0 5052 5618 4879 {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 ? {} {} {} {}}} } } }