job.id 437 job.name {??? From job 435, 3D WY-9 cubic init velocity-NVT 0.2.fs, 500 to sphere} job.description {} job.status finished job.submitted {2025-01-01 09:09:31} job.started {2025-01-01 09:09:32} job.finished {2025-01-01 10:53:02} 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-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-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-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,anchor n in,connectedFrom {md-stage-start-37236be7-3b54-4e52-901f-584d592c5d5a out}} 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-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} } 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 $T No net translation Random seed: 72489} -fill LightBlue -x 110 -width 160 -y 234 -title velocities -stage md-lammps-stage-a63087b7-1b9b-4a9d-893a-8c328b41c799} } } Connections { md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a,md-flowchart-rectangle-7cb8b2e0-86eb-4836-955a-66c72e0d2537 66 md-flowchart-circle1-fc28b922-a803-4ca3-a22a-0b37997aa0e2,md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0 70 md-flowchart-oval-50eadf97-4747-4b35-a22d-951918fac5d0,md-flowchart-rectangle-92ba8937-3371-4ba8-b8d9-5ca99991011a 76 } } } } md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-17772738-608a-45f6-a07f-ffd8493a21d9 Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$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 300 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 112 -width 160 -y 245 -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 = 300 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 56 } } } 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 {0.466151 0.718121 0.496382} Si1 1 -1 8 {} O 0.0 {0.480837 0.716003 0.502343} O1 2 -1 14 {} Si 0.0 {0.496454 0.715224 0.500518} Si2 3 -1 8 {} O 0.0 {0.49685 0.714085 0.485017} O2 4 -1 14 {} Si 0.0 {0.486237 0.716315 0.473162} Si3 5 -1 7 {} N 0.0 {0.484578 0.699528 0.462892} N1 6 -1 14 {} Si 0.0 {0.497067 0.690875 0.456363} Si4 7 -1 14 {} Si 0.0 {0.470965 0.690334 0.460767} Si5 8 -1 7 {} N 0.0 {0.498474 0.671807 0.460813} N2 9 -1 7 {} N 0.0 {0.511796 0.699408 0.464045} N3 10 -1 7 {} N 0.0 {0.499669 0.692311 0.437599} N4 11 -1 7 {} N 0.0 {0.455825 0.700871 0.462329} N5 12 -1 7 {} N 0.0 {0.468708 0.682479 0.443486} N6 13 -1 7 {} N 0.0 {0.469278 0.677538 0.473224} N7 14 -1 8 {} O 0.0 {0.630339 0.286162 0.448625} O3 15 -1 6 {} C 0.0 {0.457101 0.733247 0.504006} C1 16 -1 8 {} O 0.0 {0.470413 0.301173 0.466217} O4 17 -1 7 {} N 0.0 {0.493579 0.72878 0.460364} N8 18 -1 8 {} O 0.0 {0.472315 0.717415 0.481271} O5 19 -1 1 {} H 0.0 {0.503678 0.702115 0.507388} H1 20 -1 1 {} H 0.0 {0.503161 0.728 0.502261} H2 21 -1 1 {} H 0.0 {0.505006 0.669778 0.45396} H3 22 -1 1 {} H 0.0 {0.489413 0.668276 0.457768} H4 23 -1 1 {} H 0.0 {0.506885 0.705775 0.469862} H5 24 -1 1 {} H 0.0 {0.515498 0.691671 0.469655} H6 25 -1 1 {} H 0.0 {0.497952 0.682959 0.434997} H7 26 -1 1 {} H 0.0 {0.509915 0.692403 0.437636} H8 27 -1 1 {} H 0.0 {0.448558 0.694939 0.466406} H9 28 -1 1 {} H 0.0 {0.458618 0.708426 0.469259} H10 29 -1 1 {} H 0.0 {0.475959 0.687895 0.439403} H11 30 -1 1 {} H 0.0 {0.460146 0.688193 0.442033} H12 31 -1 1 {} H 0.0 {0.466238 0.683025 0.481112} H13 32 -1 1 {} H 0.0 {0.478407 0.673742 0.475954} H14 33 -1 1 {} H 0.0 {0.2422 0.584548 0.317097} H15 34 -1 1 {} H 0.0 {0.458315 0.741288 0.496905} H16 35 -1 1 {} H 0.0 {0.462958 0.735375 0.51248} H17 36 -1 1 {} H 0.0 {0.446849 0.729795 0.504076} H18 37 -1 1 {} H 0.0 {0.621892 0.285726 0.443005} H19 38 -1 1 {} H 0.0 {0.503197 0.725801 0.459757} H20 39 -1 1 {} H 0.0 {0.489942 0.724906 0.451752} H21 40 -1 1 {} H 0.0 {0.40426 0.6379 0.393261} H22 41 -1 14 {} Si 0.0 {0.661603 0.295363 0.315494} Si1 42 -1 8 {} O 0.0 {0.665938 0.304005 0.327543} O1 43 -1 14 {} Si 0.0 {0.675496 0.304821 0.339721} Si2 44 -1 8 {} O 0.0 {0.619867 0.697444 0.378365} O2 45 -1 14 {} Si 0.0 {0.651335 0.706109 0.356137} Si3 46 -1 7 {} N 0.0 {0.67566 0.302272 0.414484} N1 47 -1 14 {} Si 0.0 {0.610071 0.68232 0.327534} Si4 48 -1 14 {} Si 0.0 {0.680895 0.301405 0.399366} Si5 49 -1 7 {} N 0.0 {0.636997 0.700911 0.348841} N2 50 -1 7 {} N 0.0 {0.387569 0.42896 0.294815} N3 51 -1 7 {} N 0.0 {0.610684 0.631413 0.284288} N4 52 -1 7 {} N 0.0 {0.695104 0.288935 0.396835} N5 53 -1 7 {} N 0.0 {0.668183 0.304204 0.384028} N6 54 -1 7 {} N 0.0 {0.649655 0.677924 0.33344} N7 55 -1 8 {} O 0.0 {0.673961 0.287806 0.309272} O3 56 -1 6 {} C 0.0 {0.564897 0.600372 0.267349} C1 57 -1 8 {} O 0.0 {0.649804 0.286491 0.321763} O4 58 -1 7 {} N 0.0 {0.654775 0.695546 0.372177} N8 59 -1 8 {} O 0.0 {0.591812 0.319777 0.392751} O5 60 -1 1 {} H 0.0 {0.689505 0.307657 0.334311} H1 61 -1 1 {} H 0.0 {0.673468 0.319001 0.346311} H2 62 -1 1 {} H 0.0 {0.617523 0.717317 0.344605} H3 63 -1 1 {} H 0.0 {0.61379 0.285055 0.587254} H4 64 -1 1 {} H 0.0 {0.387794 0.423098 0.303092} H5 65 -1 1 {} H 0.0 {0.03564 0.621336 0.103682} H6 66 -1 1 {} H 0.0 {0.642485 0.606827 0.311457} H7 67 -1 1 {} H 0.0 {0.61972 0.634047 0.287879} H8 68 -1 1 {} H 0.0 {0.692543 0.284212 0.387809} H9 69 -1 1 {} H 0.0 {0.69385 0.283401 0.40521} H10 70 -1 1 {} H 0.0 {0.659186 0.302338 0.389363} H11 71 -1 1 {} H 0.0 {0.667728 0.314824 0.384101} H12 72 -1 1 {} H 0.0 {0.641462 0.672387 0.331664} H13 73 -1 1 {} H 0.0 {0.652594 0.675129 0.342981} H14 74 -1 1 {} H 0.0 {0.675435 0.279478 0.313804} H15 75 -1 1 {} H 0.0 {0.56175 0.594196 0.259415} H16 76 -1 1 {} H 0.0 {0.563956 0.595767 0.276683} H17 77 -1 1 {} H 0.0 {0.537311 0.128336 0.466611} H18 78 -1 1 {} H 0.0 {0.641766 0.291006 0.320221} H19 79 -1 1 {} H 0.0 {0.651641 0.686173 0.369816} H20 80 -1 1 {} H 0.0 {0.664885 0.694731 0.37069} H21 81 -1 1 {} H 0.0 {0.594156 0.322455 0.4025} H22 82 -1 14 {} Si 0.0 {0.456768 0.342952 0.33187} Si1 83 -1 8 {} O 0.0 {0.450389 0.333283 0.343459} O1 84 -1 14 {} Si 0.0 {0.444559 0.319362 0.347894} Si2 85 -1 8 {} O 0.0 {0.451085 0.318697 0.362181} O2 86 -1 14 {} Si 0.0 {0.460167 0.324397 0.374492} Si3 87 -1 7 {} N 0.0 {0.497987 0.355402 0.370733} N1 88 -1 14 {} Si 0.0 {0.507398 0.349718 0.383463} Si4 89 -1 14 {} Si 0.0 {0.481724 0.357326 0.374205} Si5 90 -1 7 {} N 0.0 {0.524934 0.342258 0.375209} N2 91 -1 7 {} N 0.0 {0.497491 0.331894 0.389703} N3 92 -1 7 {} N 0.0 {0.508325 0.356264 0.402019} N4 93 -1 7 {} N 0.0 {0.477633 0.360126 0.39065} N5 94 -1 7 {} N 0.0 {0.474719 0.371691 0.362867} N6 95 -1 7 {} N 0.0 {0.46995 0.341795 0.367924} N7 96 -1 8 {} O 0.0 {0.438923 0.349684 0.327085} O3 97 -1 6 {} C 0.0 {0.467501 0.336138 0.317903} C1 98 -1 8 {} O 0.0 {0.462028 0.353818 0.3422} O4 99 -1 7 {} N 0.0 {0.472272 0.314022 0.378977} N8 100 -1 8 {} O 0.0 {0.448412 0.327796 0.384834} O5 101 -1 1 {} H 0.0 {0.448882 0.308188 0.338561} H1 102 -1 1 {} H 0.0 {0.429532 0.320784 0.348728} H2 103 -1 1 {} H 0.0 {0.525511 0.344782 0.364857} H3 104 -1 1 {} H 0.0 {0.522363 0.332626 0.375973} H4 105 -1 1 {} H 0.0 {0.495758 0.334872 0.399093} H5 106 -1 1 {} H 0.0 {0.506238 0.326802 0.39023} H6 107 -1 1 {} H 0.0 {0.500994 0.349526 0.405767} H7 108 -1 1 {} H 0.0 {0.517463 0.353464 0.404968} H8 109 -1 1 {} H 0.0 {0.48334 0.352957 0.395348} H9 110 -1 1 {} H 0.0 {0.481565 0.369125 0.393702} H10 111 -1 1 {} H 0.0 {0.472958 0.367968 0.353523} H11 112 -1 1 {} H 0.0 {0.465941 0.371553 0.367459} H12 113 -1 1 {} H 0.0 {0.463903 0.345408 0.359826} H13 114 -1 1 {} H 0.0 {0.477358 0.336905 0.363311} H14 115 -1 1 {} H 0.0 {0.440164 0.359378 0.325152} H15 116 -1 1 {} H 0.0 {0.462737 0.336463 0.308224} H16 117 -1 1 {} H 0.0 {0.469747 0.326722 0.321736} H17 118 -1 1 {} H 0.0 {0.476408 0.341343 0.31763} H18 119 -1 1 {} H 0.0 {0.470435 0.357727 0.338901} H19 120 -1 1 {} H 0.0 {0.472297 0.30489 0.375489} H20 121 -1 1 {} H 0.0 {0.396914 0.315493 0.30407} H21 122 -1 1 {} H 0.0 {0.452353 0.33235 0.392702} H22 123 -1 14 {} Si 0.0 {0.565615 0.509748 0.314719} Si1 124 -1 8 {} O 0.0 {0.556374 0.518355 0.324095} O1 125 -1 14 {} Si 0.0 {0.552369 0.524489 0.33742} Si2 126 -1 8 {} O 0.0 {0.565258 0.527416 0.344969} O2 127 -1 14 {} Si 0.0 {0.580519 0.525005 0.346386} Si3 128 -1 7 {} N 0.0 {0.5866 0.535933 0.361879} N1 129 -1 14 {} Si 0.0 {0.595605 0.549573 0.36097} Si4 130 -1 14 {} Si 0.0 {0.580558 0.529768 0.376051} Si5 131 -1 7 {} N 0.0 {0.593407 0.560111 0.37669} N2 132 -1 7 {} N 0.0 {0.591589 0.558883 0.344934} N3 133 -1 7 {} N 0.0 {0.613845 0.543703 0.359661} N4 134 -1 7 {} N 0.0 {0.56373 0.538684 0.380705} N5 135 -1 7 {} N 0.0 {0.577063 0.510647 0.375067} N6 136 -1 7 {} N 0.0 {0.591413 0.53133 0.39223} N7 137 -1 8 {} O 0.0 {0.554678 0.510383 0.303176} O3 138 -1 6 {} C 0.0 {0.57504 0.494641 0.319494} C1 139 -1 8 {} O 0.0 {0.577338 0.526629 0.308423} O4 140 -1 7 {} N 0.0 {0.596424 0.528336 0.334989} N8 141 -1 8 {} O 0.0 {0.578442 0.509331 0.346124} O5 142 -1 1 {} H 0.0 {0.545585 0.51209 0.346278} H1 143 -1 1 {} H 0.0 {0.567438 0.546196 0.356288} H2 144 -1 1 {} H 0.0 {0.600951 0.556873 0.382461} H3 145 -1 1 {} H 0.0 {0.585196 0.555262 0.380623} H4 146 -1 1 {} H 0.0 {0.586976 0.552127 0.339076} H5 147 -1 1 {} H 0.0 {0.600829 0.561159 0.340986} H6 148 -1 1 {} H 0.0 {0.615636 0.538878 0.368308} H7 149 -1 1 {} H 0.0 {0.618098 0.553193 0.360931} H8 150 -1 1 {} H 0.0 {0.565761 0.54386 0.389022} H9 151 -1 1 {} H 0.0 {0.561444 0.54525 0.373523} H10 152 -1 1 {} H 0.0 {0.57234 0.509422 0.383888} H11 153 -1 1 {} H 0.0 {0.586742 0.507746 0.376307} H12 154 -1 1 {} H 0.0 {0.600434 0.531654 0.387312} H13 155 -1 1 {} H 0.0 {0.59146 0.521773 0.395915} H14 156 -1 1 {} H 0.0 {0.557338 0.516458 0.295866} H15 157 -1 1 {} H 0.0 {0.578344 0.497384 0.329788} H16 158 -1 1 {} H 0.0 {0.582921 0.492882 0.312297} H17 159 -1 1 {} H 0.0 {0.568632 0.48633 0.320261} H18 160 -1 1 {} H 0.0 {0.584244 0.526277 0.316867} H19 161 -1 1 {} H 0.0 {0.60091 0.519486 0.333831} H20 162 -1 1 {} H 0.0 {0.601947 0.534394 0.340617} H21 163 -1 1 {} H 0.0 {0.57601 0.505842 0.354597} H22 164 -1 14 {} Si 0.0 {0.368648 0.50133 0.323653} Si1 165 -1 8 {} O 0.0 {0.375097 0.498071 0.309597} O1 166 -1 14 {} Si 0.0 {0.369143 0.495447 0.294973} Si2 167 -1 8 {} O 0.0 {0.367219 0.480011 0.295292} O2 168 -1 14 {} Si 0.0 {0.370798 0.464561 0.295433} Si3 169 -1 7 {} N 0.0 {0.387194 0.45994 0.296429} N1 170 -1 14 {} Si 0.0 {0.426549 0.487897 0.342657} Si4 171 -1 14 {} Si 0.0 {0.402741 0.462079 0.297423} Si5 172 -1 7 {} N 0.0 {0.432953 0.516955 0.371001} N2 173 -1 7 {} N 0.0 {0.415731 0.493818 0.330442} N3 174 -1 7 {} N 0.0 {0.440037 0.498951 0.344603} N4 175 -1 7 {} N 0.0 {0.409618 0.480123 0.297126} N5 176 -1 7 {} N 0.0 {0.41156 0.452069 0.283064} N6 177 -1 7 {} N 0.0 {0.45177 0.345577 0.690599} N7 178 -1 8 {} O 0.0 {0.356014 0.483645 0.324048} O3 179 -1 6 {} C 0.0 {0.366257 0.523685 0.333448} C1 180 -1 8 {} O 0.0 {0.359508 0.513663 0.31963} O4 181 -1 7 {} N 0.0 {0.363147 0.456232 0.279852} N8 182 -1 8 {} O 0.0 {0.362184 0.460244 0.307818} O5 183 -1 1 {} H 0.0 {0.380815 0.497811 0.285264} H1 184 -1 1 {} H 0.0 {0.356419 0.502977 0.291571} H2 185 -1 1 {} H 0.0 {0.429064 0.51535 0.361772} H3 186 -1 1 {} H 0.0 {0.687431 0.600836 0.687065} H4 187 -1 1 {} H 0.0 {0.406361 0.49298 0.334027} H5 188 -1 1 {} H 0.0 {0.416656 0.503794 0.328965} H6 189 -1 1 {} H 0.0 {0.439896 0.50258 0.354342} H7 190 -1 1 {} H 0.0 {0.448385 0.492959 0.344572} H8 191 -1 1 {} H 0.0 {0.401377 0.484601 0.293921} H9 192 -1 1 {} H 0.0 {0.410555 0.483514 0.306715} H10 193 -1 1 {} H 0.0 {0.402965 0.450011 0.277322} H11 194 -1 1 {} H 0.0 {0.414858 0.460341 0.278137} H12 195 -1 1 {} H 0.0 {0.453923 0.337713 0.684466} H13 196 -1 1 {} H 0.0 {0.448127 0.352604 0.684576} H14 197 -1 1 {} H 0.0 {0.361643 0.476839 0.328352} H15 198 -1 1 {} H 0.0 {0.358497 0.531489 0.330494} H16 199 -1 1 {} H 0.0 {0.376555 0.526595 0.33103} H17 200 -1 1 {} H 0.0 {0.364771 0.52049 0.343399} H18 201 -1 1 {} H 0.0 {0.363535 0.518842 0.31205} H19 202 -1 1 {} H 0.0 {0.369435 0.447598 0.279438} H20 203 -1 1 {} H 0.0 {0.354986 0.453007 0.284851} H21 204 -1 1 {} H 0.0 {0.368081 0.454888 0.313629} H22 205 -1 14 {} Si 0.0 {0.502793 0.679562 0.6273} Si1 206 -1 8 {} O 0.0 {0.493238 0.677987 0.639666} O1 207 -1 14 {} Si 0.0 {0.495561 0.674201 0.654624} Si2 208 -1 8 {} O 0.0 {0.503131 0.664391 0.62473} O2 209 -1 14 {} Si 0.0 {0.509719 0.650358 0.627022} Si3 210 -1 7 {} N 0.0 {0.453471 0.591378 0.618688} N1 211 -1 14 {} Si 0.0 {0.463756 0.587646 0.630015} Si4 212 -1 14 {} Si 0.0 {0.442523 0.602959 0.617393} Si5 213 -1 7 {} N 0.0 {0.461456 0.570274 0.636835} N2 214 -1 7 {} N 0.0 {0.462848 0.597862 0.646839} N3 215 -1 7 {} N 0.0 {0.481864 0.589608 0.623522} N4 216 -1 7 {} N 0.0 {0.43683 0.602021 0.598746} N5 217 -1 7 {} N 0.0 {0.472251 0.606904 0.595453} N6 218 -1 7 {} N 0.0 {0.452112 0.620209 0.618531} N7 219 -1 8 {} O 0.0 {0.493554 0.636865 0.567787} O3 220 -1 6 {} C 0.0 {0.700178 0.677938 0.568019} C1 221 -1 8 {} O 0.0 {0.539715 0.652948 0.634877} O4 222 -1 7 {} N 0.0 {0.503081 0.564104 0.622259} N8 223 -1 8 {} O 0.0 {0.559346 0.70121 0.576947} O5 224 -1 1 {} H 0.0 {0.478405 0.665976 0.630955} H1 225 -1 1 {} H 0.0 {0.491277 0.68564 0.662103} H2 226 -1 1 {} H 0.0 {0.462982 0.571953 0.647501} H3 227 -1 1 {} H 0.0 {0.4512 0.569 0.634887} H4 228 -1 1 {} H 0.0 {0.457509 0.591158 0.651476} H5 229 -1 1 {} H 0.0 {0.455743 0.60496 0.644049} H6 230 -1 1 {} H 0.0 {0.485893 0.581518 0.627699} H7 231 -1 1 {} H 0.0 {0.484065 0.597918 0.628956} H8 232 -1 1 {} H 0.0 {0.446517 0.600658 0.596032} H9 233 -1 1 {} H 0.0 {0.433411 0.59193 0.598382} H10 234 -1 1 {} H 0.0 {0.481206 0.611402 0.5943} H11 235 -1 1 {} H 0.0 {0.471809 0.600013 0.587709} H12 236 -1 1 {} H 0.0 {0.457308 0.616651 0.626435} H13 237 -1 1 {} H 0.0 {0.458796 0.618421 0.611295} H14 238 -1 1 {} H 0.0 {0.484963 0.638833 0.564668} H15 239 -1 1 {} H 0.0 {0.543634 0.655937 0.626521} H16 240 -1 1 {} H 0.0 {0.69018 0.676435 0.56385} H17 241 -1 1 {} H 0.0 {0.700838 0.67874 0.578652} H18 242 -1 1 {} H 0.0 {0.542333 0.643722 0.633182} H19 243 -1 1 {} H 0.0 {0.510837 0.557322 0.622999} H20 244 -1 1 {} H 0.0 {0.498034 0.56281 0.613618} H21 245 -1 1 {} H 0.0 {0.334631 0.677807 0.48666} H22 246 -1 14 {} Si 0.0 {0.617908 0.599377 0.460484} Si1 247 -1 8 {} O 0.0 {0.621256 0.583666 0.463961} O1 248 -1 14 {} Si 0.0 {0.648463 0.559142 0.467379} Si2 249 -1 8 {} O 0.0 {0.657087 0.571263 0.47126} O2 250 -1 14 {} Si 0.0 {0.667869 0.583023 0.467987} Si3 251 -1 7 {} N 0.0 {0.686185 0.580684 0.475709} N1 252 -1 14 {} Si 0.0 {0.689492 0.565592 0.471958} Si4 253 -1 14 {} Si 0.0 {0.698881 0.586607 0.483672} Si5 254 -1 7 {} N 0.0 {0.680973 0.524997 0.467341} N2 255 -1 7 {} N 0.0 {0.680232 0.552718 0.483496} N3 256 -1 7 {} N 0.0 {0.689685 0.561081 0.45351} N4 257 -1 7 {} N 0.0 {0.697024 0.605588 0.483678} N5 258 -1 7 {} N 0.0 {0.700184 0.58042 0.501923} N6 259 -1 7 {} N 0.0 {0.716093 0.581785 0.475282} N7 260 -1 8 {} O 0.0 {0.604985 0.597473 0.450864} O3 261 -1 6 {} C 0.0 {0.631014 0.613077 0.457893} C1 262 -1 8 {} O 0.0 {0.60928 0.600159 0.474879} O4 263 -1 7 {} N 0.0 {0.662081 0.599115 0.476411} N8 264 -1 8 {} O 0.0 {0.667964 0.579853 0.452506} O5 265 -1 1 {} H 0.0 {0.648683 0.558844 0.452618} H1 266 -1 1 {} H 0.0 {0.633859 0.563854 0.469152} H2 267 -1 1 {} H 0.0 {0.671664 0.529735 0.467407} H3 268 -1 1 {} H 0.0 {0.681055 0.518176 0.459406} H4 269 -1 1 {} H 0.0 {0.681302 0.557233 0.492808} H5 270 -1 1 {} H 0.0 {0.67047 0.553827 0.481194} H6 271 -1 1 {} H 0.0 {0.698289 0.564373 0.449805} H7 272 -1 1 {} H 0.0 {0.688748 0.551093 0.451353} H8 273 -1 1 {} H 0.0 {0.68998 0.605683 0.476205} H9 274 -1 1 {} H 0.0 {0.705649 0.607288 0.478744} H10 275 -1 1 {} H 0.0 {0.690499 0.577094 0.50339} H11 276 -1 1 {} H 0.0 {0.705443 0.571468 0.500263} H12 277 -1 1 {} H 0.0 {0.71276 0.57443 0.469196} H13 278 -1 1 {} H 0.0 {0.719731 0.57678 0.483278} H14 279 -1 1 {} H 0.0 {0.602913 0.587748 0.44993} H15 280 -1 1 {} H 0.0 {0.640251 0.607911 0.456675} H16 281 -1 1 {} H 0.0 {0.630492 0.619596 0.465853} H17 282 -1 1 {} H 0.0 {0.629156 0.618062 0.448514} H18 283 -1 1 {} H 0.0 {0.600181 0.600258 0.472578} H19 284 -1 1 {} H 0.0 {0.669308 0.600023 0.483679} H20 285 -1 1 {} H 0.0 {0.653553 0.595344 0.480999} H21 286 -1 1 {} H 0.0 {0.675773 0.574439 0.44965} H22 287 -1 14 {} Si 0.0 {0.554132 0.378047 0.686762} Si1 288 -1 8 {} O 0.0 {0.547549 0.375783 0.672368} O1 289 -1 14 {} Si 0.0 {0.553369 0.373232 0.658286} Si2 290 -1 8 {} O 0.0 {0.574525 0.369097 0.655005} O2 291 -1 14 {} Si 0.0 {0.574588 0.387474 0.666696} Si3 292 -1 7 {} N 0.0 {0.572485 0.410131 0.660489} N1 293 -1 14 {} Si 0.0 {0.427338 0.404423 0.69547} Si4 294 -1 14 {} Si 0.0 {0.57049 0.417191 0.646798} Si5 295 -1 7 {} N 0.0 {0.5167 0.405563 0.67396} N2 296 -1 7 {} N 0.0 {0.412441 0.41161 0.703369} N3 297 -1 7 {} N 0.0 {0.622632 0.267211 0.572705} N4 298 -1 7 {} N 0.0 {0.614372 0.414808 0.628455} N5 299 -1 7 {} N 0.0 {0.565654 0.427447 0.635591} N6 300 -1 7 {} N 0.0 {0.543359 0.46495 0.598622} N7 301 -1 8 {} O 0.0 {0.55333 0.427835 0.294349} O3 302 -1 6 {} C 0.0 {0.538909 0.413856 0.330388} C1 303 -1 8 {} O 0.0 {0.560614 0.364106 0.688226} O4 304 -1 7 {} N 0.0 {0.562405 0.346437 0.609809} N8 305 -1 8 {} O 0.0 {0.566441 0.38561 0.68026} O5 306 -1 1 {} H 0.0 {0.547199 0.383939 0.647886} H1 307 -1 1 {} H 0.0 {0.546706 0.360747 0.652741} H2 308 -1 1 {} H 0.0 {0.508715 0.410329 0.669185} H3 309 -1 1 {} H 0.0 {0.515095 0.39498 0.671714} H4 310 -1 1 {} H 0.0 {0.405936 0.403202 0.702177} H5 311 -1 1 {} H 0.0 {0.409325 0.417509 0.696011} H6 312 -1 1 {} H 0.0 {0.61786 0.267791 0.564936} H7 313 -1 1 {} H 0.0 {0.632261 0.267541 0.569793} H8 314 -1 1 {} H 0.0 {0.613457 0.406133 0.633355} H9 315 -1 1 {} H 0.0 {0.607765 0.41499 0.621035} H10 316 -1 1 {} H 0.0 {0.576894 0.357283 0.673329} H11 317 -1 1 {} H 0.0 {0.455365 0.449976 0.634438} H12 318 -1 1 {} H 0.0 {0.539521 0.465825 0.589129} H13 319 -1 1 {} H 0.0 {0.547294 0.455753 0.600114} H14 320 -1 1 {} H 0.0 {0.561932 0.432934 0.29426} H15 321 -1 1 {} H 0.0 {0.544023 0.408229 0.337802} H16 322 -1 1 {} H 0.0 {0.544698 0.418 0.322779} H17 323 -1 1 {} H 0.0 {0.524797 0.407948 0.668443} H18 324 -1 1 {} H 0.0 {0.567613 0.363397 0.680674} H19 325 -1 1 {} H 0.0 {0.562577 0.335866 0.609301} H20 326 -1 1 {} H 0.0 {0.563247 0.347741 0.619766} H21 327 -1 1 {} H 0.0 {0.618673 0.359753 0.658892} H22 328 -1 14 {} Si 0.0 {0.410704 0.381486 0.614833} Si1 329 -1 8 {} O 0.0 {0.417554 0.383954 0.600007} O1 330 -1 14 {} Si 0.0 {0.414267 0.385768 0.585039} Si2 331 -1 8 {} O 0.0 {0.413504 0.370607 0.579628} O2 332 -1 14 {} Si 0.0 {0.405492 0.357617 0.578507} Si3 333 -1 7 {} N 0.0 {0.394731 0.34826 0.592173} N1 334 -1 14 {} Si 0.0 {0.393686 0.333152 0.597977} Si4 335 -1 14 {} Si 0.0 {0.380439 0.354949 0.593572} Si5 336 -1 7 {} N 0.0 {0.380803 0.331452 0.612413} N2 337 -1 7 {} N 0.0 {0.411259 0.328574 0.604838} N3 338 -1 7 {} N 0.0 {0.390977 0.317581 0.583488} N4 339 -1 7 {} N 0.0 {0.383503 0.345818 0.553273} N5 340 -1 7 {} N 0.0 {0.376968 0.361945 0.611826} N6 341 -1 7 {} N 0.0 {0.36533 0.347739 0.582409} N7 342 -1 8 {} O 0.0 {0.395735 0.384407 0.61256} O3 343 -1 6 {} C 0.0 {0.421052 0.390781 0.630438} C1 344 -1 8 {} O 0.0 {0.410418 0.365911 0.61299} O4 345 -1 7 {} N 0.0 {0.415586 0.342166 0.572051} N8 346 -1 8 {} O 0.0 {0.393334 0.364678 0.571207} O5 347 -1 1 {} H 0.0 {0.426432 0.391421 0.5789} H1 348 -1 1 {} H 0.0 {0.399763 0.394082 0.585068} H2 349 -1 1 {} H 0.0 {0.383294 0.339333 0.618594} H3 350 -1 1 {} H 0.0 {0.372458 0.333824 0.607793} H4 351 -1 1 {} H 0.0 {0.411213 0.334027 0.613781} H5 352 -1 1 {} H 0.0 {0.409999 0.318838 0.607745} H6 353 -1 1 {} H 0.0 {0.381392 0.317984 0.579461} H7 354 -1 1 {} H 0.0 {0.397059 0.320742 0.576297} H8 355 -1 1 {} H 0.0 {0.383319 0.351357 0.562426} H9 356 -1 1 {} H 0.0 {0.380107 0.351625 0.545564} H10 357 -1 1 {} H 0.0 {0.366618 0.363792 0.611975} H11 358 -1 1 {} H 0.0 {0.381639 0.370736 0.613226} H12 359 -1 1 {} H 0.0 {0.361553 0.35645 0.578718} H13 360 -1 1 {} H 0.0 {0.369968 0.342675 0.575205} H14 361 -1 1 {} H 0.0 {0.393628 0.388539 0.603846} H15 362 -1 1 {} H 0.0 {0.430939 0.387216 0.63107} H16 363 -1 1 {} H 0.0 {0.415121 0.387985 0.639072} H17 364 -1 1 {} H 0.0 {0.420521 0.400918 0.629699} H18 365 -1 1 {} H 0.0 {0.403317 0.362032 0.6077} H19 366 -1 1 {} H 0.0 {0.417786 0.337 0.580568} H20 367 -1 1 {} H 0.0 {0.42465 0.346451 0.569705} H21 368 -1 1 {} H 0.0 {0.384997 0.36462 0.577437} H22 369 -1 14 {} Si 0.0 {0.684817 0.501135 0.378686} Si1 370 -1 8 {} O 0.0 {0.678463 0.498214 0.391972} O1 371 -1 14 {} Si 0.0 {0.665924 0.494803 0.39991} Si2 372 -1 8 {} O 0.0 {0.655344 0.49637 0.388688} O2 373 -1 14 {} Si 0.0 {0.647486 0.488462 0.3782} Si3 374 -1 7 {} N 0.0 {0.632185 0.496123 0.368245} N1 375 -1 14 {} Si 0.0 {0.636989 0.505287 0.355165} Si4 376 -1 14 {} Si 0.0 {0.616445 0.49741 0.371584} Si5 377 -1 7 {} N 0.0 {0.644209 0.49411 0.339872} N2 378 -1 7 {} N 0.0 {0.648569 0.519132 0.361182} N3 379 -1 7 {} N 0.0 {0.622068 0.514218 0.346787} N4 380 -1 7 {} N 0.0 {0.604623 0.490072 0.358927} N5 381 -1 7 {} N 0.0 {0.613509 0.487655 0.387644} N6 382 -1 7 {} N 0.0 {0.610234 0.515514 0.375834} N7 383 -1 8 {} O 0.0 {0.687748 0.486334 0.374199} O3 384 -1 6 {} C 0.0 {0.684938 0.515887 0.37043} C1 385 -1 8 {} O 0.0 {0.329769 0.476554 0.437968} O4 386 -1 7 {} N 0.0 {0.641615 0.469349 0.38073} N8 387 -1 8 {} O 0.0 {0.660945 0.484778 0.369674} O5 388 -1 1 {} H 0.0 {0.656303 0.516419 0.402607} H1 389 -1 1 {} H 0.0 {0.665631 0.478453 0.403549} H2 390 -1 1 {} H 0.0 {0.638628 0.497515 0.331823} H3 391 -1 1 {} H 0.0 {0.641531 0.484681 0.34221} H4 392 -1 1 {} H 0.0 {0.648385 0.51702 0.371495} H5 393 -1 1 {} H 0.0 {0.643213 0.527331 0.360565} H6 394 -1 1 {} H 0.0 {0.625601 0.518261 0.338205} H7 395 -1 1 {} H 0.0 {0.62065 0.522864 0.3524} H8 396 -1 1 {} H 0.0 {0.604546 0.498382 0.352843} H9 397 -1 1 {} H 0.0 {0.595281 0.490584 0.362587} H10 398 -1 1 {} H 0.0 {0.604761 0.483066 0.386526} H11 399 -1 1 {} H 0.0 {0.620989 0.48108 0.387153} H12 400 -1 1 {} H 0.0 {0.606732 0.518416 0.366641} H13 401 -1 1 {} H 0.0 {0.618718 0.520289 0.377386} H14 402 -1 1 {} H 0.0 {0.356502 0.479544 0.314468} H15 403 -1 1 {} H 0.0 {0.680114 0.522939 0.376525} H16 404 -1 1 {} H 0.0 {0.675308 0.514024 0.3576} H17 405 -1 1 {} H 0.0 {0.694447 0.517918 0.3664} H18 406 -1 1 {} H 0.0 {0.339402 0.472251 0.436025} H19 407 -1 1 {} H 0.0 {0.634426 0.469155 0.37263} H20 408 -1 1 {} H 0.0 {0.650347 0.464195 0.377629} H21 409 -1 1 {} H 0.0 {0.658956 0.48909 0.360733} H22 410 -1 14 {} Si 0.0 {0.605627 0.663228 0.577758} Si1 411 -1 8 {} O 0.0 {0.52421 0.288676 0.553823} O1 412 -1 14 {} Si 0.0 {0.523215 0.284756 0.538873} Si2 413 -1 8 {} O 0.0 {0.513092 0.29531 0.533193} O2 414 -1 14 {} Si 0.0 {0.518989 0.294063 0.56761} Si3 415 -1 7 {} N 0.0 {0.509698 0.308265 0.570381} N1 416 -1 14 {} Si 0.0 {0.488583 0.309684 0.568645} Si4 417 -1 14 {} Si 0.0 {0.507638 0.318704 0.582563} Si5 418 -1 7 {} N 0.0 {0.559621 0.657749 0.608085} N2 419 -1 7 {} N 0.0 {0.572801 0.682308 0.629947} N3 420 -1 7 {} N 0.0 {0.481902 0.31949 0.558782} N4 421 -1 7 {} N 0.0 {0.516821 0.332976 0.581079} N5 422 -1 7 {} N 0.0 {0.478494 0.293348 0.573866} N6 423 -1 7 {} N 0.0 {0.509961 0.311528 0.59961} N7 424 -1 8 {} O 0.0 {0.615256 0.654804 0.56028} O3 425 -1 6 {} C 0.0 {0.619029 0.66769 0.570017} C1 426 -1 8 {} O 0.0 {0.719127 0.394782 0.400085} O4 427 -1 7 {} N 0.0 {0.534464 0.299149 0.578114} N8 428 -1 8 {} O 0.0 {0.510576 0.281627 0.573035} O5 429 -1 1 {} H 0.0 {0.788517 0.995123 0.371993} H1 430 -1 1 {} H 0.0 {0.568752 0.99162 0.749652} H2 431 -1 1 {} H 0.0 {0.565277 0.657081 0.599583} H3 432 -1 1 {} H 0.0 {0.562224 0.649491 0.613471} H4 433 -1 1 {} H 0.0 {0.399136 0.702014 0.348565} H5 434 -1 1 {} H 0.0 {0.578643 0.673825 0.631552} H6 435 -1 1 {} H 0.0 {0.430992 0.660367 0.447551} H7 436 -1 1 {} H 0.0 {0.578779 0.689186 0.635311} H8 437 -1 1 {} H 0.0 {0.512915 0.338061 0.573113} H9 438 -1 1 {} H 0.0 {0.526336 0.33001 0.578146} H10 439 -1 1 {} H 0.0 {0.479806 0.29347 0.583821} H11 440 -1 1 {} H 0.0 {0.469029 0.295028 0.571565} H12 441 -1 1 {} H 0.0 {0.512813 0.30184 0.596796} H13 442 -1 1 {} H 0.0 {0.518746 0.315236 0.601479} H14 443 -1 1 {} H 0.0 {0.611176 0.659197 0.552877} H15 444 -1 1 {} H 0.0 {0.412976 0.676767 0.348854} H16 445 -1 1 {} H 0.0 {0.416963 0.681743 0.352563} H17 446 -1 1 {} H 0.0 {0.624468 0.67664 0.570488} H18 447 -1 1 {} H 0.0 {0.712905 0.39285 0.393286} H19 448 -1 1 {} H 0.0 {0.542754 0.297249 0.572644} H20 449 -1 1 {} H 0.0 {0.533286 0.309178 0.576825} H21 450 -1 1 {} H 0.0 {0.501077 0.282558 0.571883} H22 451 -1 14 {} Si 0.0 {0.342222 0.321344 0.330943} Si1 452 -1 8 {} O 0.0 {0.342252 0.308966 0.34061} O1 453 -1 14 {} Si 0.0 {0.337062 0.298505 0.351208} Si2 454 -1 8 {} O 0.0 {0.322207 0.303652 0.352285} O2 455 -1 14 {} Si 0.0 {0.31068 0.314147 0.357585} Si3 456 -1 7 {} N 0.0 {0.295934 0.314563 0.350605} N1 457 -1 14 {} Si 0.0 {0.634888 0.325805 0.320833} Si4 458 -1 14 {} Si 0.0 {0.400029 0.37279 0.666237} Si5 459 -1 7 {} N 0.0 {0.62907 0.308091 0.322353} N2 460 -1 7 {} N 0.0 {0.30395 0.506264 0.556632} N3 461 -1 7 {} N 0.0 {0.645739 0.327761 0.335001} N4 462 -1 7 {} N 0.0 {0.377361 0.529991 0.296519} N5 463 -1 7 {} N 0.0 {0.389827 0.35938 0.676357} N6 464 -1 7 {} N 0.0 {0.389651 0.383312 0.652209} N7 465 -1 8 {} O 0.0 {0.343917 0.331456 0.343763} O3 466 -1 6 {} C 0.0 {0.326956 0.325289 0.318649} C1 467 -1 8 {} O 0.0 {0.35804 0.322156 0.32747} O4 468 -1 7 {} N 0.0 {0.318673 0.332863 0.357219} N8 469 -1 8 {} O 0.0 {0.311517 0.309146 0.373398} O5 470 -1 1 {} H 0.0 {0.343743 0.298885 0.364173} H1 471 -1 1 {} H 0.0 {0.384265 0.534603 0.302588} H2 472 -1 1 {} H 0.0 {0.632263 0.306494 0.332169} H3 473 -1 1 {} H 0.0 {0.618952 0.309059 0.323202} H4 474 -1 1 {} H 0.0 {0.379226 0.43509 0.295718} H5 475 -1 1 {} H 0.0 {0.388737 0.728631 0.684789} H6 476 -1 1 {} H 0.0 {0.653677 0.321495 0.332324} H7 477 -1 1 {} H 0.0 {0.648718 0.337263 0.334659} H8 478 -1 1 {} H 0.0 {0.381252 0.520825 0.293635} H9 479 -1 1 {} H 0.0 {0.426163 0.553919 0.613251} H10 480 -1 1 {} H 0.0 {0.393014 0.362306 0.685824} H11 481 -1 1 {} H 0.0 {0.395004 0.350586 0.675007} H12 482 -1 1 {} H 0.0 {0.43192 0.549929 0.615745} H13 483 -1 1 {} H 0.0 {0.35548 0.339401 0.278844} H14 484 -1 1 {} H 0.0 {0.335066 0.333564 0.347334} H15 485 -1 1 {} H 0.0 {0.319544 0.330279 0.324397} H16 486 -1 1 {} H 0.0 {0.323753 0.316002 0.314907} H17 487 -1 1 {} H 0.0 {0.330288 0.331566 0.311183} H18 488 -1 1 {} H 0.0 {0.362223 0.331205 0.330411} H19 489 -1 1 {} H 0.0 {0.317799 0.336238 0.366574} H20 490 -1 1 {} H 0.0 {0.312008 0.338245 0.351525} H21 491 -1 1 {} H 0.0 {0.305227 0.314043 0.378789} H22 492 -1 14 {} Si 0.0 {0.520147 0.576246 0.5875} Si1 493 -1 8 {} O 0.0 {0.5304 0.586485 0.58252} O1 494 -1 14 {} Si 0.0 {0.543332 0.593335 0.577138} Si2 495 -1 8 {} O 0.0 {0.550017 0.579355 0.574104} O2 496 -1 14 {} Si 0.0 {0.560415 0.568936 0.577786} Si3 497 -1 7 {} N 0.0 {0.574657 0.57069 0.56553} N1 498 -1 14 {} Si 0.0 {0.58052 0.564104 0.55175} Si4 499 -1 14 {} Si 0.0 {0.579528 0.58516 0.570118} Si5 500 -1 7 {} N 0.0 {0.574808 0.545852 0.550603} N2 501 -1 7 {} N 0.0 {0.599044 0.563023 0.550107} N3 502 -1 7 {} N 0.0 {0.571767 0.570648 0.535468} N4 503 -1 7 {} N 0.0 {0.563744 0.601749 0.637214} N5 504 -1 7 {} N 0.0 {0.578048 0.597831 0.555687} N6 505 -1 7 {} N 0.0 {0.596293 0.588151 0.579092} N7 506 -1 8 {} O 0.0 {0.512372 0.586839 0.596635} O3 507 -1 6 {} C 0.0 {0.512838 0.561561 0.579356} C1 508 -1 8 {} O 0.0 {0.513385 0.533047 0.583271} O4 509 -1 7 {} N 0.0 {0.559733 0.549661 0.581494} N8 510 -1 8 {} O 0.0 {0.56639 0.571748 0.597939} O5 511 -1 1 {} H 0.0 {0.501909 0.611925 0.62178} H1 512 -1 1 {} H 0.0 {0.540152 0.59714 0.562585} H2 513 -1 1 {} H 0.0 {0.576269 0.543769 0.560189} H3 514 -1 1 {} H 0.0 {0.582992 0.542127 0.54496} H4 515 -1 1 {} H 0.0 {0.60217 0.572653 0.551324} H5 516 -1 1 {} H 0.0 {0.676974 0.219964 0.199104} H6 517 -1 1 {} H 0.0 {0.574489 0.580414 0.534956} H7 518 -1 1 {} H 0.0 {0.562131 0.570893 0.53824} H8 519 -1 1 {} H 0.0 {0.564833 0.592246 0.633214} H9 520 -1 1 {} H 0.0 {0.573245 0.60511 0.638424} H10 521 -1 1 {} H 0.0 {0.571788 0.60474 0.559688} H11 522 -1 1 {} H 0.0 {0.587166 0.602256 0.555681} H12 523 -1 1 {} H 0.0 {0.603195 0.58721 0.571635} H13 524 -1 1 {} H 0.0 {0.596566 0.579511 0.584346} H14 525 -1 1 {} H 0.0 {0.514283 0.58363 0.607164} H15 526 -1 1 {} H 0.0 {0.486 0.557568 0.569968} H16 527 -1 1 {} H 0.0 {0.518242 0.553456 0.583757} H17 528 -1 1 {} H 0.0 {0.513684 0.562684 0.568784} H18 529 -1 1 {} H 0.0 {0.507684 0.52557 0.580576} H19 530 -1 1 {} H 0.0 {0.550423 0.548279 0.577936} H20 531 -1 1 {} H 0.0 {0.558337 0.550401 0.591405} H21 532 -1 1 {} H 0.0 {0.559602 0.575955 0.603721} H22 533 -1 14 {} Si 0.0 {0.410691 0.331079 0.368545} Si1 534 -1 8 {} O 0.0 {0.417264 0.340479 0.358087} O1 535 -1 14 {} Si 0.0 {0.42094 0.354641 0.351984} Si2 536 -1 8 {} O 0.0 {0.428439 0.360619 0.365673} O2 537 -1 14 {} Si 0.0 {0.430617 0.37289 0.374429} Si3 538 -1 7 {} N 0.0 {0.434159 0.389372 0.364659} N1 539 -1 14 {} Si 0.0 {0.443585 0.402805 0.365427} Si4 540 -1 14 {} Si 0.0 {0.425213 0.390252 0.350765} Si5 541 -1 7 {} N 0.0 {0.436695 0.419588 0.358969} N2 542 -1 7 {} N 0.0 {0.460716 0.400552 0.355808} N3 543 -1 7 {} N 0.0 {0.447702 0.403765 0.384977} N4 544 -1 7 {} N 0.0 {0.426886 0.373287 0.340788} N5 545 -1 7 {} N 0.0 {0.406949 0.39711 0.352137} N6 546 -1 7 {} N 0.0 {0.431243 0.402965 0.334335} N7 547 -1 8 {} O 0.0 {0.407354 0.345271 0.384132} O3 548 -1 6 {} C 0.0 {0.420138 0.316542 0.375504} C1 549 -1 8 {} O 0.0 {0.396196 0.330963 0.361756} O4 550 -1 7 {} N 0.0 {0.446261 0.371689 0.386626} N8 551 -1 8 {} O 0.0 {0.41619 0.374894 0.379924} O5 552 -1 1 {} H 0.0 {0.4067 0.361963 0.350291} H1 553 -1 1 {} H 0.0 {0.431938 0.350888 0.339153} H2 554 -1 1 {} H 0.0 {0.435718 0.423955 0.36802} H3 555 -1 1 {} H 0.0 {0.42795 0.417846 0.355126} H4 556 -1 1 {} H 0.0 {0.466521 0.405115 0.3628} H5 557 -1 1 {} H 0.0 {0.462368 0.390774 0.356962} H6 558 -1 1 {} H 0.0 {0.449072 0.393554 0.385185} H7 559 -1 1 {} H 0.0 {0.456154 0.408593 0.385145} H8 560 -1 1 {} H 0.0 {0.424677 0.372928 0.330534} H9 561 -1 1 {} H 0.0 {0.437171 0.372819 0.340521} H10 562 -1 1 {} H 0.0 {0.408189 0.40643 0.34942} H11 563 -1 1 {} H 0.0 {0.406938 0.398127 0.361994} H12 564 -1 1 {} H 0.0 {0.441387 0.401222 0.334989} H13 565 -1 1 {} H 0.0 {0.429938 0.412221 0.336813} H14 566 -1 1 {} H 0.0 {0.397718 0.346134 0.383752} H15 567 -1 1 {} H 0.0 {0.429716 0.319657 0.379121} H16 568 -1 1 {} H 0.0 {0.420308 0.309957 0.366908} H17 569 -1 1 {} H 0.0 {0.413842 0.312205 0.382602} H18 570 -1 1 {} H 0.0 {0.395544 0.321819 0.357189} H19 571 -1 1 {} H 0.0 {0.441802 0.368444 0.395388} H20 572 -1 1 {} H 0.0 {0.450503 0.363008 0.382924} H21 573 -1 1 {} H 0.0 {0.414156 0.367893 0.386284} H22 574 -1 14 {} Si 0.0 {0.605514 0.318462 0.385001} Si1 575 -1 8 {} O 0.0 {0.61107 0.692669 0.34052} O1 576 -1 14 {} Si 0.0 {0.620169 0.702698 0.347847} Si2 577 -1 8 {} O 0.0 {0.62208 0.284789 0.581236} O2 578 -1 14 {} Si 0.0 {0.642476 0.695155 0.334933} Si3 579 -1 7 {} N 0.0 {0.641375 0.646346 0.333291} N1 580 -1 14 {} Si 0.0 {0.627782 0.645753 0.3246} Si4 581 -1 14 {} Si 0.0 {0.654832 0.63821 0.331986} Si5 582 -1 7 {} N 0.0 {0.61857 0.663303 0.328524} N2 583 -1 7 {} N 0.0 {0.615226 0.631719 0.330794} N3 584 -1 7 {} N 0.0 {0.63055 0.646653 0.305622} N4 585 -1 7 {} N 0.0 {0.668037 0.651452 0.334791} N5 586 -1 7 {} N 0.0 {0.65564 0.627033 0.347207} N6 587 -1 7 {} N 0.0 {0.657611 0.629112 0.315126} N7 588 -1 8 {} O 0.0 {0.607098 0.330613 0.374652} O3 589 -1 6 {} C 0.0 {0.677713 0.292196 0.353964} C1 590 -1 8 {} O 0.0 {0.600996 0.375458 0.361809} O4 591 -1 7 {} N 0.0 {0.652812 0.721547 0.358282} N8 592 -1 8 {} O 0.0 {0.61217 0.634282 0.366275} O5 593 -1 1 {} H 0.0 {0.619411 0.699988 0.366412} H1 594 -1 1 {} H 0.0 {0.670762 0.310688 0.417156} H2 595 -1 1 {} H 0.0 {0.624811 0.666373 0.336403} H3 596 -1 1 {} H 0.0 {0.609413 0.659641 0.331398} H4 597 -1 1 {} H 0.0 {0.61215 0.63548 0.339523} H5 598 -1 1 {} H 0.0 {0.617563 0.621873 0.332698} H6 599 -1 1 {} H 0.0 {0.63476 0.65626 0.30577} H7 600 -1 1 {} H 0.0 {0.621603 0.647214 0.301479} H8 601 -1 1 {} H 0.0 {0.671063 0.650989 0.344168} H9 602 -1 1 {} H 0.0 {0.663064 0.660028 0.332395} H10 603 -1 1 {} H 0.0 {0.645992 0.628148 0.350732} H11 604 -1 1 {} H 0.0 {0.662027 0.629178 0.355151} H12 605 -1 1 {} H 0.0 {0.656904 0.619141 0.316901} H13 606 -1 1 {} H 0.0 {0.649458 0.63269 0.310599} H14 607 -1 1 {} H 0.0 {0.626685 0.679675 0.369956} H15 608 -1 1 {} H 0.0 {0.673835 0.28315 0.349388} H16 609 -1 1 {} H 0.0 {0.687218 0.292607 0.356802} H17 610 -1 1 {} H 0.0 {0.672071 0.295213 0.362937} H18 611 -1 1 {} H 0.0 {0.603282 0.368755 0.354555} H19 612 -1 1 {} H 0.0 {0.641215 0.301467 0.365236} H20 613 -1 1 {} H 0.0 {0.693488 0.542477 0.346702} H21 614 -1 1 {} H 0.0 {0.610769 0.635339 0.375882} H22 615 -1 14 {} Si 0.0 {0.30882 0.639723 0.409822} Si1 616 -1 8 {} O 0.0 {0.314203 0.649277 0.421741} O1 617 -1 14 {} Si 0.0 {0.338873 0.632659 0.427975} Si2 618 -1 8 {} O 0.0 {0.348487 0.644978 0.429371} O2 619 -1 14 {} Si 0.0 {0.363113 0.650824 0.427926} Si3 620 -1 7 {} N 0.0 {0.371263 0.656866 0.444659} N1 621 -1 14 {} Si 0.0 {0.374666 0.672042 0.449353} Si4 622 -1 14 {} Si 0.0 {0.381117 0.647107 0.454301} Si5 623 -1 7 {} N 0.0 {0.390568 0.677916 0.440191} N2 624 -1 7 {} N 0.0 {0.378866 0.674391 0.467947} N3 625 -1 7 {} N 0.0 {0.360033 0.683428 0.446229} N4 626 -1 7 {} N 0.0 {0.398124 0.653795 0.460166} N5 627 -1 7 {} N 0.0 {0.371324 0.638454 0.468239} N6 628 -1 7 {} N 0.0 {0.387072 0.6343 0.443236} N7 629 -1 8 {} O 0.0 {0.303886 0.657515 0.401752} O3 630 -1 6 {} C 0.0 {0.299315 0.62519 0.411392} C1 631 -1 8 {} O 0.0 {0.327006 0.638566 0.400675} O4 632 -1 7 {} N 0.0 {0.361704 0.666993 0.419742} N8 633 -1 8 {} O 0.0 {0.368303 0.638132 0.420543} O5 634 -1 1 {} H 0.0 {0.332934 0.634908 0.411504} H1 635 -1 1 {} H 0.0 {0.346291 0.62031 0.42714} H2 636 -1 1 {} H 0.0 {0.398052 0.676258 0.446657} H3 637 -1 1 {} H 0.0 {0.390631 0.669825 0.43372} H4 638 -1 1 {} H 0.0 {0.375704 0.664459 0.470341} H5 639 -1 1 {} H 0.0 {0.388954 0.673399 0.468866} H6 640 -1 1 {} H 0.0 {0.364135 0.6912 0.451756} H7 641 -1 1 {} H 0.0 {0.353552 0.67891 0.452863} H8 642 -1 1 {} H 0.0 {0.403236 0.644587 0.458117} H9 643 -1 1 {} H 0.0 {0.396635 0.652385 0.470204} H10 644 -1 1 {} H 0.0 {0.36471 0.645469 0.470892} H11 645 -1 1 {} H 0.0 {0.366809 0.631633 0.461626} H12 646 -1 1 {} H 0.0 {0.381059 0.634691 0.435368} H13 647 -1 1 {} H 0.0 {0.385564 0.626414 0.449522} H14 648 -1 1 {} H 0.0 {0.609181 0.606424 0.516989} H15 649 -1 1 {} H 0.0 {0.291238 0.625147 0.404413} H16 650 -1 1 {} H 0.0 {0.29598 0.622792 0.421131} H17 651 -1 1 {} H 0.0 {0.308438 0.613552 0.406424} H18 652 -1 1 {} H 0.0 {0.330319 0.647486 0.39914} H19 653 -1 1 {} H 0.0 {0.368412 0.673287 0.424492} H20 654 -1 1 {} H 0.0 {0.363912 0.66602 0.409882} H21 655 -1 1 {} H 0.0 {0.368454 0.638862 0.410731} H22 656 -1 14 {} Si 0.0 {0.6825 0.333878 0.392798} Si1 657 -1 8 {} O 0.0 {0.361477 0.366464 0.414388} O1 658 -1 14 {} Si 0.0 {0.3707 0.357939 0.424102} Si2 659 -1 8 {} O 0.0 {0.360718 0.348251 0.431021} O2 660 -1 14 {} Si 0.0 {0.347424 0.340724 0.429054} Si3 661 -1 7 {} N 0.0 {0.334785 0.344176 0.442881} N1 662 -1 14 {} Si 0.0 {0.327564 0.3356 0.454253} Si4 663 -1 14 {} Si 0.0 {0.334057 0.360984 0.432341} Si5 664 -1 7 {} N 0.0 {0.335988 0.318692 0.457252} N2 665 -1 7 {} N 0.0 {0.309885 0.334672 0.451685} N3 666 -1 7 {} N 0.0 {0.327973 0.344565 0.470703} N4 667 -1 7 {} N 0.0 {0.337451 0.373654 0.441241} N5 668 -1 7 {} N 0.0 {0.697353 0.30037 0.602927} N6 669 -1 7 {} N 0.0 {0.336457 0.294811 0.47863} N7 670 -1 8 {} O 0.0 {0.686315 0.348427 0.388018} O3 671 -1 6 {} C 0.0 {0.693224 0.320554 0.391649} C1 672 -1 8 {} O 0.0 {0.666681 0.334719 0.390322} O4 673 -1 7 {} N 0.0 {0.340935 0.323191 0.419838} N8 674 -1 8 {} O 0.0 {0.337774 0.355327 0.418305} O5 675 -1 1 {} H 0.0 {0.376446 0.366769 0.435444} H1 676 -1 1 {} H 0.0 {0.380525 0.350132 0.41571} H2 677 -1 1 {} H 0.0 {0.34233 0.321918 0.46464} H3 678 -1 1 {} H 0.0 {0.340934 0.317601 0.448387} H4 679 -1 1 {} H 0.0 {0.305212 0.343351 0.455315} H5 680 -1 1 {} H 0.0 {0.308384 0.334774 0.44124} H6 681 -1 1 {} H 0.0 {0.335948 0.351168 0.470839} H7 682 -1 1 {} H 0.0 {0.320367 0.350743 0.469793} H8 683 -1 1 {} H 0.0 {0.338676 0.372516 0.451312} H9 684 -1 1 {} H 0.0 {0.537441 0.393753 0.695499} H10 685 -1 1 {} H 0.0 {0.687603 0.298241 0.60451} H11 686 -1 1 {} H 0.0 {0.700049 0.29745 0.5929} H12 687 -1 1 {} H 0.0 {0.337021 0.301767 0.471372} H13 688 -1 1 {} H 0.0 {0.344571 0.297128 0.484928} H14 689 -1 1 {} H 0.0 {0.687172 0.354194 0.395675} H15 690 -1 1 {} H 0.0 {0.696725 0.320158 0.381905} H16 691 -1 1 {} H 0.0 {0.701317 0.322414 0.398464} H17 692 -1 1 {} H 0.0 {0.675745 0.362297 0.424207} H18 693 -1 1 {} H 0.0 {0.661965 0.331662 0.398322} H19 694 -1 1 {} H 0.0 {0.332802 0.32833 0.417899} H20 695 -1 1 {} H 0.0 {0.346982 0.323767 0.411363} H21 696 -1 1 {} H 0.0 {0.352268 0.360922 0.414277} H22 697 -1 14 {} Si 0.0 {0.531312 0.307027 0.378468} Si1 698 -1 8 {} O 0.0 {0.534046 0.317322 0.390181} O1 699 -1 14 {} Si 0.0 {0.547143 0.710382 0.371243} Si2 700 -1 8 {} O 0.0 {0.550585 0.708087 0.356386} O2 701 -1 14 {} Si 0.0 {0.534664 0.689664 0.370328} Si3 702 -1 7 {} N 0.0 {0.533469 0.683106 0.355478} N1 703 -1 14 {} Si 0.0 {0.523591 0.686701 0.338454} Si4 704 -1 14 {} Si 0.0 {0.541674 0.670585 0.34798} Si5 705 -1 7 {} N 0.0 {0.504271 0.687822 0.341035} N2 706 -1 7 {} N 0.0 {0.523559 0.290087 0.387303} N3 707 -1 7 {} N 0.0 {0.530008 0.700667 0.333078} N4 708 -1 7 {} N 0.0 {0.560826 0.673129 0.345843} N5 709 -1 7 {} N 0.0 {0.536729 0.653704 0.357882} N6 710 -1 7 {} N 0.0 {0.53206 0.669758 0.328953} N7 711 -1 8 {} O 0.0 {0.456728 0.342061 0.407613} O3 712 -1 6 {} C 0.0 {0.543656 0.301525 0.36514} C1 713 -1 8 {} O 0.0 {0.545803 0.293037 0.406108} O4 714 -1 7 {} N 0.0 {0.516997 0.69454 0.376888} N8 715 -1 8 {} O 0.0 {0.54489 0.685538 0.382256} O5 716 -1 1 {} H 0.0 {0.543321 0.702894 0.352611} H1 717 -1 1 {} H 0.0 {0.561919 0.70893 0.378949} H2 718 -1 1 {} H 0.0 {0.502418 0.678413 0.344883} H3 719 -1 1 {} H 0.0 {0.499873 0.687289 0.332139} H4 720 -1 1 {} H 0.0 {0.514049 0.293495 0.388901} H5 721 -1 1 {} H 0.0 {0.53159 0.284324 0.387267} H6 722 -1 1 {} H 0.0 {0.531971 0.701748 0.32257} H7 723 -1 1 {} H 0.0 {0.460035 0.349201 0.402234} H8 724 -1 1 {} H 0.0 {0.563559 0.672569 0.355497} H9 725 -1 1 {} H 0.0 {0.563391 0.66438 0.340821} H10 726 -1 1 {} H 0.0 {0.54496 0.65165 0.363684} H11 727 -1 1 {} H 0.0 {0.529849 0.657507 0.364161} H12 728 -1 1 {} H 0.0 {0.524106 0.663506 0.33146} H13 729 -1 1 {} H 0.0 {0.539122 0.664045 0.323816} H14 730 -1 1 {} H 0.0 {0.474527 0.300294 0.474171} H15 731 -1 1 {} H 0.0 {0.540022 0.292639 0.360417} H16 732 -1 1 {} H 0.0 {0.552859 0.299876 0.369647} H17 733 -1 1 {} H 0.0 {0.545967 0.309448 0.358315} H18 734 -1 1 {} H 0.0 {0.548474 0.296214 0.415111} H19 735 -1 1 {} H 0.0 {0.511409 0.689729 0.37027} H20 736 -1 1 {} H 0.0 {0.518136 0.689063 0.385372} H21 737 -1 1 {} H 0.0 {0.553854 0.684034 0.379625} H22 738 -1 14 {} Si 0.0 {0.371678 0.402272 0.437509} Si1 739 -1 8 {} O 0.0 {0.38197 0.396996 0.447213} O1 740 -1 14 {} Si 0.0 {0.407906 0.399755 0.474804} Si2 741 -1 8 {} O 0.0 {0.398317 0.322011 0.399388} O2 742 -1 14 {} Si 0.0 {0.409006 0.333516 0.400562} Si3 743 -1 7 {} N 0.0 {0.437162 0.36145 0.420577} N1 744 -1 14 {} Si 0.0 {0.440282 0.377118 0.422401} Si4 745 -1 14 {} Si 0.0 {0.481376 0.350579 0.438536} Si5 746 -1 7 {} N 0.0 {0.458517 0.379832 0.416468} N2 747 -1 7 {} N 0.0 {0.440848 0.381998 0.441192} N3 748 -1 7 {} N 0.0 {0.42905 0.387378 0.411068} N4 749 -1 7 {} N 0.0 {0.542394 0.319898 0.454263} N5 750 -1 7 {} N 0.0 {0.48903 0.354156 0.451788} N6 751 -1 7 {} N 0.0 {0.540628 0.386566 0.702121} N7 752 -1 8 {} O 0.0 {0.376429 0.417442 0.442766} O3 753 -1 6 {} C 0.0 {0.354569 0.394364 0.435192} C1 754 -1 8 {} O 0.0 {0.381127 0.399959 0.425035} O4 755 -1 7 {} N 0.0 {0.397935 0.374673 0.404161} N8 756 -1 8 {} O 0.0 {0.393428 0.341877 0.410236} O5 757 -1 1 {} H 0.0 {0.382469 0.392981 0.487585} H1 758 -1 1 {} H 0.0 {0.359704 0.348363 0.479214} H2 759 -1 1 {} H 0.0 {0.456948 0.37985 0.405744} H3 760 -1 1 {} H 0.0 {0.463498 0.371299 0.417168} H4 761 -1 1 {} H 0.0 {0.433099 0.389261 0.441795} H5 762 -1 1 {} H 0.0 {0.44941 0.387125 0.441066} H6 763 -1 1 {} H 0.0 {0.42561 0.394634 0.417204} H7 764 -1 1 {} H 0.0 {0.434186 0.391835 0.403564} H8 765 -1 1 {} H 0.0 {0.548112 0.318958 0.462461} H9 766 -1 1 {} H 0.0 {0.456919 0.367141 0.476367} H10 767 -1 1 {} H 0.0 {0.488053 0.36352 0.454878} H11 768 -1 1 {} H 0.0 {0.488327 0.284839 0.381607} H12 769 -1 1 {} H 0.0 {0.544512 0.391345 0.710509} H13 770 -1 1 {} H 0.0 {0.531191 0.382306 0.704632} H14 771 -1 1 {} H 0.0 {0.382561 0.420951 0.435705} H15 772 -1 1 {} H 0.0 {0.35522 0.384518 0.431279} H16 773 -1 1 {} H 0.0 {0.349219 0.400049 0.428646} H17 774 -1 1 {} H 0.0 {0.349734 0.393766 0.444415} H18 775 -1 1 {} H 0.0 {0.382486 0.407867 0.418957} H19 776 -1 1 {} H 0.0 {0.393693 0.380856 0.411233} H20 777 -1 1 {} H 0.0 {0.395541 0.365317 0.405357} H21 778 -1 1 {} H 0.0 {0.408012 0.375224 0.405321} H22 779 -1 14 {} Si 0.0 {0.632949 0.410727 0.364834} Si1 780 -1 8 {} O 0.0 {0.624626 0.398196 0.364544} O1 781 -1 14 {} Si 0.0 {0.620754 0.383199 0.367214} Si2 782 -1 8 {} O 0.0 {0.63246 0.37659 0.358907} O2 783 -1 14 {} Si 0.0 {0.636921 0.366116 0.348535} Si3 784 -1 7 {} N 0.0 {0.651861 0.355449 0.354593} N1 785 -1 14 {} Si 0.0 {0.645705 0.352732 0.369021} Si4 786 -1 14 {} Si 0.0 {0.667145 0.351541 0.352316} Si5 787 -1 7 {} N 0.0 {0.322927 0.363279 0.335668} N2 788 -1 7 {} N 0.0 {0.641724 0.333271 0.372886} N3 789 -1 7 {} N 0.0 {0.654392 0.363124 0.383299} N4 790 -1 7 {} N 0.0 {0.671563 0.333153 0.355415} N5 791 -1 7 {} N 0.0 {0.671928 0.353967 0.330322} N6 792 -1 7 {} N 0.0 {0.680148 0.362284 0.361706} N7 793 -1 8 {} O 0.0 {0.627681 0.415448 0.378921} O3 794 -1 6 {} C 0.0 {0.630222 0.421272 0.349662} C1 795 -1 8 {} O 0.0 {0.651261 0.405251 0.373106} O4 796 -1 7 {} N 0.0 {0.644516 0.374806 0.333752} N8 797 -1 8 {} O 0.0 {0.61952 0.353988 0.346471} O5 798 -1 1 {} H 0.0 {0.583047 0.394167 0.39499} H1 799 -1 1 {} H 0.0 {0.623039 0.380116 0.380406} H2 800 -1 1 {} H 0.0 {0.328389 0.357208 0.329187} H3 801 -1 1 {} H 0.0 {0.329359 0.368952 0.341193} H4 802 -1 1 {} H 0.0 {0.646289 0.330297 0.364071} H5 803 -1 1 {} H 0.0 {0.648906 0.330787 0.380381} H6 804 -1 1 {} H 0.0 {0.660936 0.355658 0.386339} H7 805 -1 1 {} H 0.0 {0.660168 0.369066 0.377061} H8 806 -1 1 {} H 0.0 {0.67768 0.333019 0.362913} H9 807 -1 1 {} H 0.0 {0.662411 0.331256 0.359869} H10 808 -1 1 {} H 0.0 {0.673083 0.350656 0.32056} H11 809 -1 1 {} H 0.0 {0.680781 0.358774 0.332173} H12 810 -1 1 {} H 0.0 {0.674057 0.370435 0.363489} H13 811 -1 1 {} H 0.0 {0.680923 0.358081 0.37077} H14 812 -1 1 {} H 0.0 {0.631889 0.410723 0.386154} H15 813 -1 1 {} H 0.0 {0.622934 0.41679 0.343612} H16 814 -1 1 {} H 0.0 {0.639219 0.424344 0.344879} H17 815 -1 1 {} H 0.0 {0.626596 0.429975 0.354113} H18 816 -1 1 {} H 0.0 {0.649999 0.403069 0.382385} H19 817 -1 1 {} H 0.0 {0.653304 0.377938 0.337938} H20 818 -1 1 {} H 0.0 {0.639627 0.384064 0.334227} H21 819 -1 1 {} H 0.0 {0.612782 0.361184 0.34893} H22 820 -1 14 {} Si 0.0 {0.611572 0.423394 0.406979} Si1 821 -1 8 {} O 0.0 {0.62333 0.432445 0.413866} O1 822 -1 14 {} Si 0.0 {0.629911 0.445774 0.418194} Si2 823 -1 8 {} O 0.0 {0.600082 0.433037 0.404877} O2 824 -1 14 {} Si 0.0 {0.587783 0.437716 0.412214} Si3 825 -1 7 {} N 0.0 {0.54196 0.486823 0.473733} N1 826 -1 14 {} Si 0.0 {0.554223 0.476895 0.476383} Si4 827 -1 14 {} Si 0.0 {0.543435 0.500711 0.465979} Si5 828 -1 7 {} N 0.0 {0.562065 0.46864 0.461198} N2 829 -1 7 {} N 0.0 {0.546634 0.461718 0.484657} N3 830 -1 7 {} N 0.0 {0.565586 0.482269 0.486141} N4 831 -1 7 {} N 0.0 {0.524134 0.504505 0.458402} N5 832 -1 7 {} N 0.0 {0.522403 0.514769 0.445659} N6 833 -1 7 {} N 0.0 {0.557453 0.500509 0.452223} N7 834 -1 8 {} O 0.0 {0.672629 0.512463 0.344771} O3 835 -1 6 {} C 0.0 {0.608659 0.400336 0.407134} C1 836 -1 8 {} O 0.0 {0.579871 0.425397 0.417168} O4 837 -1 7 {} N 0.0 {0.558791 0.38639 0.377967} N8 838 -1 8 {} O 0.0 {0.607765 0.411713 0.420901} O5 839 -1 1 {} H 0.0 {0.618774 0.455754 0.425053} H1 840 -1 1 {} H 0.0 {0.671258 0.407926 0.438839} H2 841 -1 1 {} H 0.0 {0.556496 0.472827 0.453486} H3 842 -1 1 {} H 0.0 {0.557748 0.459348 0.462494} H4 843 -1 1 {} H 0.0 {0.552789 0.454274 0.481651} H5 844 -1 1 {} H 0.0 {0.549571 0.462816 0.493899} H6 845 -1 1 {} H 0.0 {0.571928 0.488595 0.481691} H7 846 -1 1 {} H 0.0 {0.501195 0.404004 0.478826} H8 847 -1 1 {} H 0.0 {0.521299 0.494831 0.456293} H9 848 -1 1 {} H 0.0 {0.519956 0.507549 0.467293} H10 849 -1 1 {} H 0.0 {0.512953 0.515823 0.443137} H11 850 -1 1 {} H 0.0 {0.525608 0.524315 0.448034} H12 851 -1 1 {} H 0.0 {0.550749 0.494604 0.446183} H13 852 -1 1 {} H 0.0 {0.562859 0.493118 0.456626} H14 853 -1 1 {} H 0.0 {0.663119 0.510838 0.345913} H15 854 -1 1 {} H 0.0 {0.598334 0.397851 0.407442} H16 855 -1 1 {} H 0.0 {0.616033 0.39342 0.412163} H17 856 -1 1 {} H 0.0 {0.609604 0.400346 0.396786} H18 857 -1 1 {} H 0.0 {0.586696 0.419 0.421161} H19 858 -1 1 {} H 0.0 {0.558852 0.392178 0.386054} H20 859 -1 1 {} H 0.0 {0.549278 0.385002 0.374651} H21 860 -1 1 {} H 0.0 {0.616049 0.410207 0.424973} H22 861 -1 14 {} Si 0.0 {0.69787 0.597494 0.624467} Si1 862 -1 8 {} O 0.0 {0.687867 0.597532 0.612486} O1 863 -1 14 {} Si 0.0 {0.683158 0.605243 0.599697} Si2 864 -1 8 {} O 0.0 {0.688143 0.620813 0.600201} O2 865 -1 14 {} Si 0.0 {0.690582 0.635373 0.594208} Si3 866 -1 7 {} N 0.0 {0.705772 0.638819 0.58927} N1 867 -1 14 {} Si 0.0 {0.723206 0.647173 0.593403} Si4 868 -1 14 {} Si 0.0 {0.70918 0.63052 0.575792} Si5 869 -1 7 {} N 0.0 {0.731683 0.641544 0.60551} N2 870 -1 7 {} N 0.0 {0.449323 0.278398 0.58391} N3 871 -1 7 {} N 0.0 {0.671697 0.262359 0.58291} N4 872 -1 7 {} N 0.0 {0.701686 0.639031 0.560403} N5 873 -1 7 {} N 0.0 {0.631781 0.282929 0.54483} N6 874 -1 7 {} N 0.0 {0.604358 0.280979 0.523448} N7 875 -1 8 {} O 0.0 {0.710721 0.594172 0.615803} O3 876 -1 6 {} C 0.0 {0.693155 0.590527 0.641408} C1 877 -1 8 {} O 0.0 {0.69899 0.617899 0.626481} O4 878 -1 7 {} N 0.0 {0.699301 0.66097 0.705994} N8 879 -1 8 {} O 0.0 {0.678432 0.634241 0.583747} O5 880 -1 1 {} H 0.0 {0.664862 0.60798 0.597018} H1 881 -1 1 {} H 0.0 {0.692303 0.599417 0.590086} H2 882 -1 1 {} H 0.0 {0.729498 0.631886 0.608045} H3 883 -1 1 {} H 0.0 {0.642066 0.0779313 0.411205} H4 884 -1 1 {} H 0.0 {0.443082 0.27377 0.577858} H5 885 -1 1 {} H 0.0 {0.447453 0.289021 0.583332} H6 886 -1 1 {} H 0.0 {0.340666 0.292691 0.579027} H7 887 -1 1 {} H 0.0 {0.362122 0.320517 0.56706} H8 888 -1 1 {} H 0.0 {0.700043 0.647767 0.565571} H9 889 -1 1 {} H 0.0 {0.692471 0.63499 0.560514} H10 890 -1 1 {} H 0.0 {0.634416 0.278617 0.553317} H11 891 -1 1 {} H 0.0 {0.622917 0.280305 0.542024} H12 892 -1 1 {} H 0.0 {0.594081 0.280105 0.520576} H13 893 -1 1 {} H 0.0 {0.347044 0.562296 0.341923} H14 894 -1 1 {} H 0.0 {0.713833 0.602027 0.610531} H15 895 -1 1 {} H 0.0 {0.691158 0.598386 0.647337} H16 896 -1 1 {} H 0.0 {0.700271 0.583054 0.643532} H17 897 -1 1 {} H 0.0 {0.684373 0.585288 0.638957} H18 898 -1 1 {} H 0.0 {0.698049 0.619611 0.617052} H19 899 -1 1 {} H 0.0 {0.691069 0.665923 0.708266} H20 900 -1 1 {} H 0.0 {0.699653 0.653453 0.712942} H21 901 -1 1 {} H 0.0 {0.680423 0.628979 0.5762} H22 902 -1 14 {} Si 0.0 {0.315203 0.308329 0.555221} Si1 903 -1 8 {} O 0.0 {0.324827 0.301211 0.545321} O1 904 -1 14 {} Si 0.0 {0.335373 0.289841 0.545049} Si2 905 -1 8 {} O 0.0 {0.326579 0.278102 0.551314} O2 906 -1 14 {} Si 0.0 {0.689527 0.320969 0.482544} Si3 907 -1 7 {} N 0.0 {0.699415 0.667731 0.525031} N1 908 -1 14 {} Si 0.0 {0.709991 0.673578 0.536101} Si4 909 -1 14 {} Si 0.0 {0.686524 0.664552 0.534234} Si5 910 -1 7 {} N 0.0 {0.652761 0.350201 0.52203} N2 911 -1 7 {} N 0.0 {0.722184 0.662274 0.541041} N3 912 -1 7 {} N 0.0 {0.714965 0.69095 0.534106} N4 913 -1 7 {} N 0.0 {0.486094 0.275913 0.537418} N5 914 -1 7 {} N 0.0 {0.307415 0.649916 0.495068} N6 915 -1 7 {} N 0.0 {0.681759 0.645408 0.535216} N7 916 -1 8 {} O 0.0 {0.328319 0.288261 0.579767} O3 917 -1 6 {} C 0.0 {0.304072 0.302394 0.56688} C1 918 -1 8 {} O 0.0 {0.638005 0.356414 0.532373} O4 919 -1 7 {} N 0.0 {0.697632 0.338158 0.486538} N8 920 -1 8 {} O 0.0 {0.71271 0.598189 0.545135} O5 921 -1 1 {} H 0.0 {0.344641 0.649441 0.551422} H1 922 -1 1 {} H 0.0 {0.357433 0.284938 0.537988} H2 923 -1 1 {} H 0.0 {0.649597 0.343714 0.51505} H3 924 -1 1 {} H 0.0 {0.656348 0.357594 0.515962} H4 925 -1 1 {} H 0.0 {0.729847 0.660379 0.534123} H5 926 -1 1 {} H 0.0 {0.71658 0.653376 0.542219} H6 927 -1 1 {} H 0.0 {0.713964 0.692216 0.52367} H7 928 -1 1 {} H 0.0 {0.707314 0.696914 0.53792} H8 929 -1 1 {} H 0.0 {0.494092 0.281097 0.541612} H9 930 -1 1 {} H 0.0 {0.477486 0.278253 0.542144} H10 931 -1 1 {} H 0.0 {0.303965 0.651448 0.505077} H11 932 -1 1 {} H 0.0 {0.299287 0.647608 0.48871} H12 933 -1 1 {} H 0.0 {0.690969 0.642399 0.539711} H13 934 -1 1 {} H 0.0 {0.674834 0.645849 0.541813} H14 935 -1 1 {} H 0.0 {0.305823 0.292302 0.570419} H15 936 -1 1 {} H 0.0 {0.306345 0.323604 0.573144} H16 937 -1 1 {} H 0.0 {0.367478 0.644667 0.582651} H17 938 -1 1 {} H 0.0 {0.293834 0.303138 0.563098} H18 939 -1 1 {} H 0.0 {0.640465 0.364433 0.537659} H19 940 -1 1 {} H 0.0 {0.689211 0.343238 0.487295} H20 941 -1 1 {} H 0.0 {0.700214 0.33632 0.496417} H21 942 -1 1 {} H 0.0 {0.7025 0.661404 0.516954} H22 943 -1 14 {} Si 0.0 {0.53302 0.589755 0.415672} Si1 944 -1 8 {} O 0.0 {0.534521 0.574349 0.417874} O1 945 -1 14 {} Si 0.0 {0.537576 0.559888 0.412305} Si2 946 -1 8 {} O 0.0 {0.541728 0.56226 0.397669} O2 947 -1 14 {} Si 0.0 {0.542186 0.567201 0.382897} Si3 948 -1 7 {} N 0.0 {0.539493 0.555021 0.367563} N1 949 -1 14 {} Si 0.0 {0.544052 0.554906 0.351696} Si4 950 -1 14 {} Si 0.0 {0.52778 0.543417 0.371521} Si5 951 -1 7 {} N 0.0 {0.539276 0.537874 0.341062} N2 952 -1 7 {} N 0.0 {0.562756 0.554005 0.351399} N3 953 -1 7 {} N 0.0 {0.538671 0.570325 0.341807} N4 954 -1 7 {} N 0.0 {0.518067 0.548244 0.387488} N5 955 -1 7 {} N 0.0 {0.512388 0.542364 0.359869} N6 956 -1 7 {} N 0.0 {0.535789 0.526208 0.374194} N7 957 -1 8 {} O 0.0 {0.514974 0.591721 0.424253} O3 958 -1 6 {} C 0.0 {0.536009 0.598996 0.399633} C1 959 -1 8 {} O 0.0 {0.541137 0.595987 0.427858} O4 960 -1 7 {} N 0.0 {0.559209 0.574154 0.377821} N8 961 -1 8 {} O 0.0 {0.529752 0.576975 0.381147} O5 962 -1 1 {} H 0.0 {0.523955 0.552476 0.411922} H1 963 -1 1 {} H 0.0 {0.548184 0.553332 0.420065} H2 964 -1 1 {} H 0.0 {0.534937 0.537923 0.331598} H3 965 -1 1 {} H 0.0 {0.532656 0.532136 0.346843} H4 966 -1 1 {} H 0.0 {0.565726 0.554523 0.341299} H5 967 -1 1 {} H 0.0 {0.0248159 0.608087 0.0988735} H6 968 -1 1 {} H 0.0 {0.547805 0.574345 0.339685} H7 969 -1 1 {} H 0.0 {0.5359 0.565318 0.333171} H8 970 -1 1 {} H 0.0 {0.510694 0.552759 0.382328} H9 971 -1 1 {} H 0.0 {0.5228 0.556241 0.392379} H10 972 -1 1 {} H 0.0 {0.506859 0.549257 0.36476} H11 973 -1 1 {} H 0.0 {0.516388 0.54711 0.352057} H12 974 -1 1 {} H 0.0 {0.529095 0.523484 0.381068} H13 975 -1 1 {} H 0.0 {0.543706 0.529705 0.379041} H14 976 -1 1 {} H 0.0 {0.51676 0.587623 0.432822} H15 977 -1 1 {} H 0.0 {0.530545 0.607965 0.399047} H16 978 -1 1 {} H 0.0 {0.532085 0.59216 0.391957} H17 979 -1 1 {} H 0.0 {0.546745 0.600274 0.399179} H18 980 -1 1 {} H 0.0 {0.54799 0.588855 0.431438} H19 981 -1 1 {} H 0.0 {0.564834 0.57059 0.385892} H20 982 -1 1 {} H 0.0 {0.561565 0.569051 0.369145} H21 983 -1 1 {} H 0.0 {0.522438 0.571798 0.376943} H22 984 -1 14 {} Si 0.0 {0.581493 0.695476 0.367032} Si1 985 -1 8 {} O 0.0 {0.595781 0.694357 0.373472} O1 986 -1 14 {} Si 0.0 {0.605928 0.700725 0.384041} Si2 987 -1 8 {} O 0.0 {0.604646 0.689357 0.395083} O2 988 -1 14 {} Si 0.0 {0.613385 0.677756 0.388547} Si3 989 -1 7 {} N 0.0 {0.625143 0.670858 0.374795} N1 990 -1 14 {} Si 0.0 {0.634842 0.658305 0.371269} Si4 991 -1 14 {} Si 0.0 {0.677254 0.667393 0.401896} Si5 992 -1 7 {} N 0.0 {0.625103 0.64746 0.358891} N2 993 -1 7 {} N 0.0 {0.637989 0.651482 0.388285} N3 994 -1 7 {} N 0.0 {0.651741 0.662789 0.364079} N4 995 -1 7 {} N 0.0 {0.65933 0.677161 0.402379} N5 996 -1 7 {} N 0.0 {0.679268 0.665298 0.382133} N6 997 -1 7 {} N 0.0 {0.689003 0.676136 0.407414} N7 998 -1 8 {} O 0.0 {0.575216 0.682502 0.373858} O3 999 -1 6 {} C 0.0 {0.578401 0.700027 0.34953} C1 1000 -1 8 {} O 0.0 {0.573303 0.707145 0.382601} O4 1001 -1 7 {} N 0.0 {0.625779 0.675145 0.405926} N8 1002 -1 8 {} O 0.0 {0.562183 0.681511 0.314253} O5 1003 -1 1 {} H 0.0 {0.651848 0.726524 0.367426} H1 1004 -1 1 {} H 0.0 {0.680758 0.650251 0.367933} H2 1005 -1 1 {} H 0.0 {0.633006 0.643919 0.352594} H3 1006 -1 1 {} H 0.0 {0.619664 0.654274 0.353048} H4 1007 -1 1 {} H 0.0 {0.629706 0.652183 0.393623} H5 1008 -1 1 {} H 0.0 {0.644103 0.658218 0.392053} H6 1009 -1 1 {} H 0.0 {0.657461 0.654798 0.368636} H7 1010 -1 1 {} H 0.0 {0.65095 0.660652 0.353847} H8 1011 -1 1 {} H 0.0 {0.65767 0.678355 0.392147} H9 1012 -1 1 {} H 0.0 {0.661868 0.686601 0.406014} H10 1013 -1 1 {} H 0.0 {0.688005 0.670233 0.380542} H11 1014 -1 1 {} H 0.0 {0.671327 0.670387 0.378635} H12 1015 -1 1 {} H 0.0 {0.697497 0.672172 0.410998} H13 1016 -1 1 {} H 0.0 {0.704126 0.296345 0.60899} H14 1017 -1 1 {} H 0.0 {0.576143 0.683105 0.383889} H15 1018 -1 1 {} H 0.0 {0.575809 0.6916 0.343289} H16 1019 -1 1 {} H 0.0 {0.587163 0.70474 0.346823} H17 1020 -1 1 {} H 0.0 {0.569817 0.706604 0.349928} H18 1021 -1 1 {} H 0.0 {0.572021 0.700035 0.390034} H19 1022 -1 1 {} H 0.0 {0.622049 0.682115 0.412411} H20 1023 -1 1 {} H 0.0 {0.62085 0.666993 0.409231} H21 1024 -1 1 {} H 0.0 {0.56136 0.681989 0.323722} H22 1025 -1 14 {} Si 0.0 {0.658657 0.304616 0.617012} Si1 1026 -1 8 {} O 0.0 {0.654757 0.312871 0.59839} O1 1027 -1 14 {} Si 0.0 {0.630833 0.408878 0.618523} Si2 1028 -1 8 {} O 0.0 {0.677992 0.398742 0.337953} O2 1029 -1 14 {} Si 0.0 {0.647614 0.433989 0.319243} Si3 1030 -1 7 {} N 0.0 {0.399599 0.266013 0.35897} N1 1031 -1 14 {} Si 0.0 {0.306562 0.428919 0.306249} Si4 1032 -1 14 {} Si 0.0 {0.32226 0.444519 0.313575} Si5 1033 -1 7 {} N 0.0 {0.317033 0.421886 0.291622} N2 1034 -1 7 {} N 0.0 {0.84366 0.507802 0.77737} N3 1035 -1 7 {} N 0.0 {0.289602 0.434355 0.300469} N4 1036 -1 7 {} N 0.0 {0.315443 0.456245 0.325455} N5 1037 -1 7 {} N 0.0 {0.658888 0.661967 0.305061} N6 1038 -1 7 {} N 0.0 {0.329251 0.452144 0.299785} N7 1039 -1 8 {} O 0.0 {0.67071 0.294443 0.612684} O3 1040 -1 6 {} C 0.0 {0.66242 0.326024 0.588337} C1 1041 -1 8 {} O 0.0 {0.667963 0.317998 0.618195} O4 1042 -1 7 {} N 0.0 {0.633749 0.4237 0.311765} N8 1043 -1 8 {} O 0.0 {0.644624 0.449316 0.321657} O5 1044 -1 1 {} H 0.0 {0.625676 0.397959 0.607303} H1 1045 -1 1 {} H 0.0 {0.635772 0.418754 0.60994} H2 1046 -1 1 {} H 0.0 {0.320988 0.429415 0.286635} H3 1047 -1 1 {} H 0.0 {0.324443 0.418025 0.296627} H4 1048 -1 1 {} H 0.0 {0.836282 0.506535 0.770247} H5 1049 -1 1 {} H 0.0 {0.847662 0.49801 0.778553} H6 1050 -1 1 {} H 0.0 {0.288209 0.428509 0.292253} H7 1051 -1 1 {} H 0.0 {0.283409 0.43028 0.3076} H8 1052 -1 1 {} H 0.0 {0.31433 0.450552 0.333995} H9 1053 -1 1 {} H 0.0 {0.322479 0.463451 0.326909} H10 1054 -1 1 {} H 0.0 {0.651373 0.66497 0.31116} H11 1055 -1 1 {} H 0.0 {0.667284 0.666492 0.308136} H12 1056 -1 1 {} H 0.0 {0.337981 0.457081 0.301778} H13 1057 -1 1 {} H 0.0 {0.323333 0.45959 0.296697} H14 1058 -1 1 {} H 0.0 {0.66442 0.254775 0.583572} H15 1059 -1 1 {} H 0.0 {0.655927 0.333754 0.586482} H16 1060 -1 1 {} H 0.0 {0.290502 0.367307 0.439235} H17 1061 -1 1 {} H 0.0 {0.671131 0.324073 0.582425} H18 1062 -1 1 {} H 0.0 {0.640498 0.338459 0.634028} H19 1063 -1 1 {} H 0.0 {0.632247 0.427745 0.302589} H20 1064 -1 1 {} H 0.0 {0.636172 0.413979 0.310699} H21 1065 -1 1 {} H 0.0 {0.651551 0.454444 0.316493} H22 1066 -1 14 {} Si 0.0 {0.435887 0.652136 0.660382} Si1 1067 -1 8 {} O 0.0 {0.444219 0.665443 0.663338} O1 1068 -1 14 {} Si 0.0 {0.452001 0.67803 0.658134} Si2 1069 -1 8 {} O 0.0 {0.466526 0.672328 0.658546} O2 1070 -1 14 {} Si 0.0 {0.474748 0.659997 0.654687} Si3 1071 -1 7 {} N 0.0 {0.475315 0.644529 0.659477} N1 1072 -1 14 {} Si 0.0 {0.46922 0.639087 0.677106} Si4 1073 -1 14 {} Si 0.0 {0.490446 0.636243 0.639985} Si5 1074 -1 7 {} N 0.0 {0.458714 0.627356 0.675581} N2 1075 -1 7 {} N 0.0 {0.461659 0.654879 0.685454} N3 1076 -1 7 {} N 0.0 {0.483058 0.63314 0.686905} N4 1077 -1 7 {} N 0.0 {0.487179 0.635743 0.656209} N5 1078 -1 7 {} N 0.0 {0.483546 0.620357 0.631744} N6 1079 -1 7 {} N 0.0 {0.506985 0.636921 0.637238} N7 1080 -1 8 {} O 0.0 {0.435467 0.647488 0.680675} O3 1081 -1 6 {} C 0.0 {0.4363 0.642239 0.646926} C1 1082 -1 8 {} O 0.0 {0.416843 0.661524 0.664941} O4 1083 -1 7 {} N 0.0 {0.509385 0.666578 0.662108} N8 1084 -1 8 {} O 0.0 {0.472738 0.658481 0.633185} O5 1085 -1 1 {} H 0.0 {0.446226 0.694337 0.68102} H1 1086 -1 1 {} H 0.0 {0.447405 0.679966 0.643769} H2 1087 -1 1 {} H 0.0 {0.493769 0.655497 0.27276} H3 1088 -1 1 {} H 0.0 {0.460268 0.620925 0.68332} H4 1089 -1 1 {} H 0.0 {0.468703 0.657625 0.692308} H5 1090 -1 1 {} H 0.0 {0.463434 0.661479 0.677811} H6 1091 -1 1 {} H 0.0 {0.490892 0.635048 0.68046} H7 1092 -1 1 {} H 0.0 {0.481653 0.62327 0.687975} H8 1093 -1 1 {} H 0.0 {0.580135 0.254221 0.065492} H9 1094 -1 1 {} H 0.0 {0.487514 0.625378 0.658875} H10 1095 -1 1 {} H 0.0 {0.481787 0.625388 0.623003} H11 1096 -1 1 {} H 0.0 {0.474459 0.618178 0.635591} H12 1097 -1 1 {} H 0.0 {0.508896 0.628379 0.632195} H13 1098 -1 1 {} H 0.0 {0.381723 0.701812 0.643352} H14 1099 -1 1 {} H 0.0 {0.442075 0.654592 0.684733} H15 1100 -1 1 {} H 0.0 {0.427979 0.636157 0.647181} H16 1101 -1 1 {} H 0.0 {0.335563 0.676264 0.502439} H17 1102 -1 1 {} H 0.0 {0.445176 0.636819 0.64768} H18 1103 -1 1 {} H 0.0 {0.411927 0.664079 0.656558} H19 1104 -1 1 {} H 0.0 {0.510035 0.656714 0.659321} H20 1105 -1 1 {} H 0.0 {0.517549 0.671762 0.65945} H21 1106 -1 1 {} H 0.0 {0.480087 0.648946 0.634542} H22 1107 -1 14 {} Si 0.0 {0.530604 0.378519 0.302938} Si1 1108 -1 8 {} O 0.0 {0.529797 0.393058 0.309617} O1 1109 -1 14 {} Si 0.0 {0.526313 0.402336 0.322015} Si2 1110 -1 8 {} O 0.0 {0.512998 0.408244 0.315875} O2 1111 -1 14 {} Si 0.0 {0.505452 0.420236 0.30981} Si3 1112 -1 7 {} N 0.0 {0.486134 0.42413 0.313632} N1 1113 -1 14 {} Si 0.0 {0.479514 0.413305 0.324326} Si4 1114 -1 14 {} Si 0.0 {0.475827 0.434599 0.306544} Si5 1115 -1 7 {} N 0.0 {0.460444 0.416685 0.328144} N2 1116 -1 7 {} N 0.0 {0.487898 0.412047 0.342079} N3 1117 -1 7 {} N 0.0 {0.481198 0.395517 0.317946} N4 1118 -1 7 {} N 0.0 {0.463747 0.425891 0.294423} N5 1119 -1 7 {} N 0.0 {0.46459 0.44548 0.31755} N6 1120 -1 7 {} N 0.0 {0.486566 0.446018 0.295338} N7 1121 -1 8 {} O 0.0 {0.545616 0.380604 0.299089} O3 1122 -1 6 {} C 0.0 {0.517098 0.370734 0.292417} C1 1123 -1 8 {} O 0.0 {0.534954 0.37036 0.3204} O4 1124 -1 7 {} N 0.0 {0.509182 0.422727 0.291411} N8 1125 -1 8 {} O 0.0 {0.511573 0.430509 0.319826} O5 1126 -1 1 {} H 0.0 {0.533773 0.421994 0.335679} H1 1127 -1 1 {} H 0.0 {0.520927 0.392819 0.335653} H2 1128 -1 1 {} H 0.0 {0.459613 0.410585 0.335756} H3 1129 -1 1 {} H 0.0 {0.46085 0.42625 0.331267} H4 1130 -1 1 {} H 0.0 {0.48432 0.403486 0.345434} H5 1131 -1 1 {} H 0.0 {0.481694 0.418847 0.34644} H6 1132 -1 1 {} H 0.0 {0.491747 0.394858 0.319461} H7 1133 -1 1 {} H 0.0 {0.477612 0.390189 0.325704} H8 1134 -1 1 {} H 0.0 {0.461733 0.417038 0.299327} H9 1135 -1 1 {} H 0.0 {0.456229 0.432555 0.295963} H10 1136 -1 1 {} H 0.0 {0.45548 0.442531 0.31416} H11 1137 -1 1 {} H 0.0 {0.466127 0.454456 0.313722} H12 1138 -1 1 {} H 0.0 {0.493621 0.439952 0.292126} H13 1139 -1 1 {} H 0.0 {0.490722 0.451614 0.302701} H14 1140 -1 1 {} H 0.0 {0.554474 0.384614 0.299244} H15 1141 -1 1 {} H 0.0 {0.521922 0.365553 0.284626} H16 1142 -1 1 {} H 0.0 {0.512098 0.378762 0.288685} H17 1143 -1 1 {} H 0.0 {0.511214 0.363209 0.297623} H18 1144 -1 1 {} H 0.0 {0.544495 0.370574 0.319891} H19 1145 -1 1 {} H 0.0 {0.517643 0.417419 0.288721} H20 1146 -1 1 {} H 0.0 {0.512327 0.432621 0.292178} H21 1147 -1 1 {} H 0.0 {0.504462 0.433602 0.326256} H22 1148 -1 14 {} Si 0.0 {0.577477 0.381045 0.53362} Si1 1149 -1 8 {} O 0.0 {0.576473 0.386584 0.518822} O1 1150 -1 14 {} Si 0.0 {0.576168 0.386474 0.503093} Si2 1151 -1 8 {} O 0.0 {0.572876 0.372554 0.49732} O2 1152 -1 14 {} Si 0.0 {0.582818 0.360964 0.489501} Si3 1153 -1 7 {} N 0.0 {0.596087 0.36934 0.48183} N1 1154 -1 14 {} Si 0.0 {0.604338 0.386235 0.488145} Si4 1155 -1 14 {} Si 0.0 {0.596101 0.375124 0.466156} Si5 1156 -1 7 {} N 0.0 {0.592585 0.401846 0.486127} N2 1157 -1 7 {} N 0.0 {0.623734 0.388899 0.487109} N3 1158 -1 7 {} N 0.0 {0.606509 0.381341 0.507215} N4 1159 -1 7 {} N 0.0 {0.579251 0.382142 0.461487} N5 1160 -1 7 {} N 0.0 {0.611678 0.383677 0.457998} N6 1161 -1 7 {} N 0.0 {0.59788 0.358067 0.457019} N7 1162 -1 8 {} O 0.0 {0.593654 0.382077 0.534119} O3 1163 -1 6 {} C 0.0 {0.568939 0.363726 0.538776} C1 1164 -1 8 {} O 0.0 {0.574177 0.395378 0.540028} O4 1165 -1 7 {} N 0.0 {0.57198 0.354324 0.474812} N8 1166 -1 8 {} O 0.0 {0.585807 0.352307 0.502193} O5 1167 -1 1 {} H 0.0 {0.589898 0.386655 0.495922} H1 1168 -1 1 {} H 0.0 {0.568526 0.39828 0.496485} H2 1169 -1 1 {} H 0.0 {0.590827 0.401861 0.475972} H3 1170 -1 1 {} H 0.0 {0.598373 0.410222 0.486792} H4 1171 -1 1 {} H 0.0 {0.625307 0.394868 0.494428} H5 1172 -1 1 {} H 0.0 {0.6267 0.379834 0.490196} H6 1173 -1 1 {} H 0.0 {0.604758 0.371596 0.50577} H7 1174 -1 1 {} H 0.0 {0.616747 0.381989 0.508723} H8 1175 -1 1 {} H 0.0 {0.579048 0.391828 0.465175} H9 1176 -1 1 {} H 0.0 {0.57304 0.3772 0.468089} H10 1177 -1 1 {} H 0.0 {0.611666 0.37674 0.450369} H11 1178 -1 1 {} H 0.0 {0.618078 0.379474 0.464439} H12 1179 -1 1 {} H 0.0 {0.592582 0.351897 0.463432} H13 1180 -1 1 {} H 0.0 {0.607186 0.356094 0.460637} H14 1181 -1 1 {} H 0.0 {0.597951 0.384737 0.525217} H15 1182 -1 1 {} H 0.0 {0.575711 0.360079 0.546179} H16 1183 -1 1 {} H 0.0 {0.568428 0.357774 0.52999} H17 1184 -1 1 {} H 0.0 {0.559589 0.366826 0.542841} H18 1185 -1 1 {} H 0.0 {0.582727 0.399074 0.543608} H19 1186 -1 1 {} H 0.0 {0.565233 0.361714 0.475192} H20 1187 -1 1 {} H 0.0 {0.568277 0.345758 0.479252} H21 1188 -1 1 {} H 0.0 {0.583237 0.343087 0.5001} H22 1189 -1 14 {} Si 0.0 {0.486149 0.314084 0.393703} Si1 1190 -1 8 {} O 0.0 {0.489442 0.321516 0.41349} O1 1191 -1 14 {} Si 0.0 {0.486629 0.319931 0.428417} Si2 1192 -1 8 {} O 0.0 {0.501493 0.315821 0.432789} O2 1193 -1 14 {} Si 0.0 {0.515698 0.31408 0.426376} Si3 1194 -1 7 {} N 0.0 {0.521335 0.305823 0.414055} N1 1195 -1 14 {} Si 0.0 {0.532438 0.728328 0.36371} Si4 1196 -1 14 {} Si 0.0 {0.531951 0.299483 0.403948} Si5 1197 -1 7 {} N 0.0 {0.517016 0.724716 0.356755} N2 1198 -1 7 {} N 0.0 {0.534012 0.723091 0.379074} N3 1199 -1 7 {} N 0.0 {0.535996 0.745324 0.359812} N4 1200 -1 7 {} N 0.0 {0.473502 0.38303 0.447493} N5 1201 -1 7 {} N 0.0 {0.305884 0.556095 0.383582} N6 1202 -1 7 {} N 0.0 {0.486057 0.362324 0.42438} N7 1203 -1 8 {} O 0.0 {0.49654 0.301694 0.394122} O3 1204 -1 6 {} C 0.0 {0.474151 0.317411 0.406307} C1 1205 -1 8 {} O 0.0 {0.403313 0.322916 0.301742} O4 1206 -1 7 {} N 0.0 {0.526567 0.710888 0.434906} N8 1207 -1 8 {} O 0.0 {0.521062 0.327155 0.432575} O5 1208 -1 1 {} H 0.0 {0.449385 0.34637 0.412291} H1 1209 -1 1 {} H 0.0 {0.484377 0.335267 0.433856} H2 1210 -1 1 {} H 0.0 {0.512389 0.721629 0.365297} H3 1211 -1 1 {} H 0.0 {0.518512 0.715977 0.351933} H4 1212 -1 1 {} H 0.0 {0.688219 0.137107 0.188415} H5 1213 -1 1 {} H 0.0 {0.526709 0.716037 0.379453} H6 1214 -1 1 {} H 0.0 {0.529013 0.746552 0.352612} H7 1215 -1 1 {} H 0.0 {0.532362 0.749953 0.367917} H8 1216 -1 1 {} H 0.0 {0.473108 0.39149 0.441659} H9 1217 -1 1 {} H 0.0 {0.482708 0.378755 0.44569} H10 1218 -1 1 {} H 0.0 {0.299748 0.547971 0.383745} H11 1219 -1 1 {} H 0.0 {0.667141 0.290169 0.604837} H12 1220 -1 1 {} H 0.0 {0.496009 0.361084 0.421834} H13 1221 -1 1 {} H 0.0 {0.486176 0.371453 0.428756} H14 1222 -1 1 {} H 0.0 {0.502218 0.303587 0.402132} H15 1223 -1 1 {} H 0.0 {0.532832 0.321644 0.457785} H16 1224 -1 1 {} H 0.0 {0.465222 0.304002 0.408739} H17 1225 -1 1 {} H 0.0 {0.46873 0.326303 0.405065} H18 1226 -1 1 {} H 0.0 {0.398276 0.331287 0.305483} H19 1227 -1 1 {} H 0.0 {0.523716 0.703244 0.428537} H20 1228 -1 1 {} H 0.0 {0.523102 0.708874 0.444547} H21 1229 -1 1 {} H 0.0 {0.528954 0.324531 0.43749} H22 1230 -1 14 {} Si 0.0 {0.694621 0.313498 0.449609} Si1 1231 -1 8 {} O 0.0 {0.703728 0.321776 0.440302} O1 1232 -1 14 {} Si 0.0 {0.70374 0.336738 0.434916} Si2 1233 -1 8 {} O 0.0 {0.691372 0.33687 0.425355} O2 1234 -1 14 {} Si 0.0 {0.677327 0.340878 0.419902} Si3 1235 -1 7 {} N 0.0 {0.662876 0.334021 0.422552} N1 1236 -1 14 {} Si 0.0 {0.649279 0.325993 0.422405} Si4 1237 -1 14 {} Si 0.0 {0.643032 0.671679 0.413637} Si5 1238 -1 7 {} N 0.0 {0.645043 0.316493 0.439993} N2 1239 -1 7 {} N 0.0 {0.496258 0.664371 0.553027} N3 1240 -1 7 {} N 0.0 {0.661831 0.280972 0.493235} N4 1241 -1 7 {} N 0.0 {0.607322 0.616363 0.516843} N5 1242 -1 7 {} N 0.0 {0.674647 0.618612 0.557507} N6 1243 -1 7 {} N 0.0 {0.583269 0.708785 0.442688} N7 1244 -1 8 {} O 0.0 {0.680804 0.319077 0.445542} O3 1245 -1 6 {} C 0.0 {0.700037 0.31201 0.471304} C1 1246 -1 8 {} O 0.0 {0.69487 0.300851 0.43974} O4 1247 -1 7 {} N 0.0 {0.721243 0.627374 0.537476} N8 1248 -1 8 {} O 0.0 {0.679507 0.356211 0.416783} O5 1249 -1 1 {} H 0.0 {0.395328 0.435173 0.295983} H1 1250 -1 1 {} H 0.0 {0.701931 0.346347 0.447999} H2 1251 -1 1 {} H 0.0 {0.654006 0.31836 0.445414} H3 1252 -1 1 {} H 0.0 {0.644015 0.306974 0.436783} H4 1253 -1 1 {} H 0.0 {0.486557 0.667524 0.555244} H5 1254 -1 1 {} H 0.0 {0.496727 0.665411 0.542832} H6 1255 -1 1 {} H 0.0 {0.657827 0.290549 0.491379} H7 1256 -1 1 {} H 0.0 {0.670131 0.283069 0.498694} H8 1257 -1 1 {} H 0.0 {0.599682 0.61768 0.51009} H9 1258 -1 1 {} H 0.0 {0.61588 0.620331 0.512078} H10 1259 -1 1 {} H 0.0 {0.677918 0.60875 0.556763} H11 1260 -1 1 {} H 0.0 {0.663639 0.617219 0.557072} H12 1261 -1 1 {} H 0.0 {0.573951 0.709565 0.439218} H13 1262 -1 1 {} H 0.0 {0.775984 0.985014 0.366174} H14 1263 -1 1 {} H 0.0 {0.680483 0.325691 0.438586} H15 1264 -1 1 {} H 0.0 {0.698051 0.302032 0.472766} H16 1265 -1 1 {} H 0.0 {0.686316 0.311131 0.495286} H17 1266 -1 1 {} H 0.0 {0.709626 0.314987 0.472929} H18 1267 -1 1 {} H 0.0 {0.689032 0.300721 0.43222} H19 1268 -1 1 {} H 0.0 {0.728895 0.621349 0.540418} H20 1269 -1 1 {} H 0.0 {0.658884 0.299077 0.475918} H21 1270 -1 1 {} H 0.0 {0.719396 0.634181 0.545282} H22 1271 -1 14 {} Si 0.0 {0.592443 0.656935 0.307916} Si1 1272 -1 8 {} O 0.0 {0.595326 0.641479 0.310409} O1 1273 -1 14 {} Si 0.0 {0.599961 0.629271 0.319313} Si2 1274 -1 8 {} O 0.0 {0.588327 0.62315 0.327279} O2 1275 -1 14 {} Si 0.0 {0.573697 0.624401 0.331352} Si3 1276 -1 7 {} N 0.0 {0.571182 0.612848 0.347625} N1 1277 -1 14 {} Si 0.0 {0.555595 0.611976 0.353928} Si4 1278 -1 14 {} Si 0.0 {0.578163 0.598743 0.351032} Si5 1279 -1 7 {} N 0.0 {0.543559 0.603541 0.341337} N2 1280 -1 7 {} N 0.0 {0.550852 0.631219 0.354728} N3 1281 -1 7 {} N 0.0 {0.553836 0.604924 0.372103} N4 1282 -1 7 {} N 0.0 {0.566941 0.584121 0.345636} N5 1283 -1 7 {} N 0.0 {0.593266 0.597476 0.339416} N6 1284 -1 7 {} N 0.0 {0.585491 0.594126 0.367935} N7 1285 -1 8 {} O 0.0 {0.600479 0.658504 0.293621} O3 1286 -1 6 {} C 0.0 {0.588239 0.669529 0.319845} C1 1287 -1 8 {} O 0.0 {0.574047 0.661949 0.285142} O4 1288 -1 7 {} N 0.0 {0.559909 0.619139 0.319791} N8 1289 -1 8 {} O 0.0 {0.573257 0.639334 0.336666} O5 1290 -1 1 {} H 0.0 {0.674728 0.636888 0.371193} H1 1291 -1 1 {} H 0.0 {0.603863 0.617167 0.307937} H2 1292 -1 1 {} H 0.0 {0.549082 0.602348 0.333314} H3 1293 -1 1 {} H 0.0 {0.542653 0.593912 0.345343} H4 1294 -1 1 {} H 0.0 {0.55937 0.636083 0.350682} H5 1295 -1 1 {} H 0.0 {0.545449 0.630721 0.346222} H6 1296 -1 1 {} H 0.0 {0.555623 0.594964 0.369314} H7 1297 -1 1 {} H 0.0 {0.562396 0.609411 0.375812} H8 1298 -1 1 {} H 0.0 {0.563611 0.581432 0.354891} H9 1299 -1 1 {} H 0.0 {0.575205 0.577721 0.344818} H10 1300 -1 1 {} H 0.0 {0.594203 0.607439 0.338225} H11 1301 -1 1 {} H 0.0 {0.58739 0.594238 0.330859} H12 1302 -1 1 {} H 0.0 {0.589734 0.585988 0.364096} H13 1303 -1 1 {} H 0.0 {0.593509 0.600004 0.368056} H14 1304 -1 1 {} H 0.0 {0.602493 0.649253 0.289836} H15 1305 -1 1 {} H 0.0 {0.578807 0.674246 0.317278} H16 1306 -1 1 {} H 0.0 {0.59702 0.684168 0.318283} H17 1307 -1 1 {} H 0.0 {0.586542 0.663007 0.327756} H18 1308 -1 1 {} H 0.0 {0.583227 0.663434 0.28684} H19 1309 -1 1 {} H 0.0 {0.56205 0.608919 0.318675} H20 1310 -1 1 {} H 0.0 {0.550317 0.620602 0.323225} H21 1311 -1 1 {} H 0.0 {0.578592 0.640158 0.344837} H22 1312 -1 14 {} Si 0.0 {0.611912 0.563973 0.274548} Si1 1313 -1 8 {} O 0.0 {0.603108 0.551602 0.278664} O1 1314 -1 14 {} Si 0.0 {0.589009 0.545624 0.283097} Si2 1315 -1 8 {} O 0.0 {0.578535 0.556815 0.279267} O2 1316 -1 14 {} Si 0.0 {0.569602 0.568668 0.286205} Si3 1317 -1 7 {} N 0.0 {0.554483 0.567714 0.292606} N1 1318 -1 14 {} Si 0.0 {0.549859 0.583909 0.303226} Si4 1319 -1 14 {} Si 0.0 {0.539936 0.559415 0.296222} Si5 1320 -1 7 {} N 0.0 {0.538727 0.580142 0.314681} N2 1321 -1 7 {} N 0.0 {0.546177 0.599296 0.292141} N3 1322 -1 7 {} N 0.0 {0.566169 0.588283 0.312238} N4 1323 -1 7 {} N 0.0 {0.540573 0.543826 0.306832} N5 1324 -1 7 {} N 0.0 {0.527483 0.570481 0.309019} N6 1325 -1 7 {} N 0.0 {0.529247 0.554684 0.28291} N7 1326 -1 8 {} O 0.0 {0.617958 0.565487 0.288722} O3 1327 -1 6 {} C 0.0 {0.604299 0.578142 0.265018} C1 1328 -1 8 {} O 0.0 {0.624765 0.551668 0.264409} O4 1329 -1 7 {} N 0.0 {0.637263 0.607272 0.302396} N8 1330 -1 8 {} O 0.0 {0.579386 0.580391 0.285589} O5 1331 -1 1 {} H 0.0 {0.590647 0.545335 0.299524} H1 1332 -1 1 {} H 0.0 {0.584472 0.531517 0.273141} H2 1333 -1 1 {} H 0.0 {0.535038 0.588922 0.318803} H3 1334 -1 1 {} H 0.0 {0.488472 0.611101 0.352286} H4 1335 -1 1 {} H 0.0 {0.535996 0.598665 0.294065} H5 1336 -1 1 {} H 0.0 {0.549418 0.60639 0.299281} H6 1337 -1 1 {} H 0.0 {0.563727 0.58252 0.320301} H7 1338 -1 1 {} H 0.0 {0.573337 0.584142 0.306545} H8 1339 -1 1 {} H 0.0 {0.539547 0.548324 0.315966} H9 1340 -1 1 {} H 0.0 {0.550801 0.541655 0.306288} H10 1341 -1 1 {} H 0.0 {0.521869 0.573766 0.300642} H11 1342 -1 1 {} H 0.0 {0.520901 0.563223 0.313453} H12 1343 -1 1 {} H 0.0 {0.519958 0.555443 0.287349} H13 1344 -1 1 {} H 0.0 {0.531078 0.544616 0.281116} H14 1345 -1 1 {} H 0.0 {0.611248 0.567698 0.295149} H15 1346 -1 1 {} H 0.0 {0.600476 0.574241 0.255607} H16 1347 -1 1 {} H 0.0 {0.612148 0.584707 0.262711} H17 1348 -1 1 {} H 0.0 {0.596974 0.582397 0.270819} H18 1349 -1 1 {} H 0.0 {0.620677 0.552514 0.255494} H19 1350 -1 1 {} H 0.0 {0.642374 0.60206 0.295138} H20 1351 -1 1 {} H 0.0 {0.637496 0.617 0.299513} H21 1352 -1 1 {} H 0.0 {0.587452 0.579492 0.291239} H22 1353 -1 14 {} Si 0.0 {0.363773 0.582362 0.633271} Si1 1354 -1 8 {} O 0.0 {0.367106 0.595432 0.625475} O1 1355 -1 14 {} Si 0.0 {0.374083 0.604402 0.61582} Si2 1356 -1 8 {} O 0.0 {0.375495 0.596149 0.602028} O2 1357 -1 14 {} Si 0.0 {0.37132 0.595452 0.587207} Si3 1358 -1 7 {} N 0.0 {0.370163 0.57999 0.580389} N1 1359 -1 14 {} Si 0.0 {0.358993 0.571641 0.588255} Si4 1360 -1 14 {} Si 0.0 {0.376503 0.57051 0.568368} Si5 1361 -1 7 {} N 0.0 {0.362545 0.554605 0.595695} N2 1362 -1 7 {} N 0.0 {0.341471 0.571975 0.579965} N3 1363 -1 7 {} N 0.0 {0.44887 0.519379 0.55636} N4 1364 -1 7 {} N 0.0 {0.380947 0.580412 0.553078} N5 1365 -1 7 {} N 0.0 {0.390144 0.557415 0.574008} N6 1366 -1 7 {} N 0.0 {0.364464 0.557686 0.561046} N7 1367 -1 8 {} O 0.0 {0.354718 0.590706 0.643505} O3 1368 -1 6 {} C 0.0 {0.37687 0.570287 0.638622} C1 1369 -1 8 {} O 0.0 {0.347514 0.579497 0.620698} O4 1370 -1 7 {} N 0.0 {0.381898 0.605794 0.572257} N8 1371 -1 8 {} O 0.0 {0.355295 0.610752 0.586578} O5 1372 -1 1 {} H 0.0 {0.388149 0.610023 0.621174} H1 1373 -1 1 {} H 0.0 {0.363538 0.616952 0.613493} H2 1374 -1 1 {} H 0.0 {0.353697 0.553415 0.600599} H3 1375 -1 1 {} H 0.0 {0.369386 0.556882 0.602468} H4 1376 -1 1 {} H 0.0 {0.339538 0.581759 0.580453} H5 1377 -1 1 {} H 0.0 {0.344766 0.571305 0.57022} H6 1378 -1 1 {} H 0.0 {0.454716 0.527263 0.558835} H7 1379 -1 1 {} H 0.0 {0.454341 0.510881 0.557359} H8 1380 -1 1 {} H 0.0 {0.376294 0.589181 0.554786} H9 1381 -1 1 {} H 0.0 {0.374337 0.575625 0.5467} H10 1382 -1 1 {} H 0.0 {0.384769 0.549046 0.573478} H11 1383 -1 1 {} H 0.0 {0.390129 0.559174 0.584156} H12 1384 -1 1 {} H 0.0 {0.361087 0.562208 0.553078} H13 1385 -1 1 {} H 0.0 {0.356296 0.554811 0.566102} H14 1386 -1 1 {} H 0.0 {0.345156 0.59086 0.640747} H15 1387 -1 1 {} H 0.0 {0.385693 0.571722 0.632426} H16 1388 -1 1 {} H 0.0 {0.371357 0.561338 0.635571} H17 1389 -1 1 {} H 0.0 {0.378554 0.570847 0.649333} H18 1390 -1 1 {} H 0.0 {0.347845 0.587494 0.615131} H19 1391 -1 1 {} H 0.0 {0.388562 0.597702 0.571099} H20 1392 -1 1 {} H 0.0 {0.375508 0.604762 0.564185} H21 1393 -1 1 {} H 0.0 {0.319783 0.584434 0.515389} H22 1394 -1 14 {} Si 0.0 {0.520616 0.501374 0.348998} Si1 1395 -1 8 {} O 0.0 {0.518086 0.496608 0.363944} O1 1396 -1 14 {} Si 0.0 {0.506628 0.490524 0.373251} Si2 1397 -1 8 {} O 0.0 {0.495545 0.500104 0.369158} O2 1398 -1 14 {} Si 0.0 {0.480821 0.502074 0.362253} Si3 1399 -1 7 {} N 0.0 {0.477096 0.521305 0.360295} N1 1400 -1 14 {} Si 0.0 {0.477369 0.529761 0.374417} Si4 1401 -1 14 {} Si 0.0 {0.472304 0.528988 0.347036} Si5 1402 -1 7 {} N 0.0 {0.493527 0.525973 0.384271} N2 1403 -1 7 {} N 0.0 {0.459918 0.528727 0.383085} N3 1404 -1 7 {} N 0.0 {0.480255 0.54955 0.370367} N4 1405 -1 7 {} N 0.0 {0.467271 0.516688 0.333289} N5 1406 -1 7 {} N 0.0 {0.454902 0.541252 0.34878} N6 1407 -1 7 {} N 0.0 {0.486563 0.539912 0.338218} N7 1408 -1 8 {} O 0.0 {0.541714 0.503182 0.352293} O3 1409 -1 6 {} C 0.0 {0.509091 0.512766 0.341073} C1 1410 -1 8 {} O 0.0 {0.52153 0.485782 0.344053} O4 1411 -1 7 {} N 0.0 {0.465277 0.495651 0.370884} N8 1412 -1 8 {} O 0.0 {0.485474 0.498862 0.347356} O5 1413 -1 1 {} H 0.0 {0.512297 0.492875 0.389561} H1 1414 -1 1 {} H 0.0 {0.504364 0.477267 0.368365} H2 1415 -1 1 {} H 0.0 {0.500451 0.531735 0.379651} H3 1416 -1 1 {} H 0.0 {0.493989 0.516433 0.381466} H4 1417 -1 1 {} H 0.0 {0.4517 0.525638 0.378472} H5 1418 -1 1 {} H 0.0 {0.45803 0.537998 0.386818} H6 1419 -1 1 {} H 0.0 {0.485511 0.548936 0.361236} H7 1420 -1 1 {} H 0.0 {0.470774 0.549844 0.366265} H8 1421 -1 1 {} H 0.0 {0.461298 0.510204 0.338363} H9 1422 -1 1 {} H 0.0 {0.476286 0.511974 0.331547} H10 1423 -1 1 {} H 0.0 {0.45728 0.550697 0.349057} H11 1424 -1 1 {} H 0.0 {0.454395 0.538055 0.358844} H12 1425 -1 1 {} H 0.0 {0.492048 0.541062 0.346408} H13 1426 -1 1 {} H 0.0 {0.491764 0.531936 0.334082} H14 1427 -1 1 {} H 0.0 {0.540777 0.507095 0.362097} H15 1428 -1 1 {} H 0.0 {0.499203 0.509593 0.339352} H16 1429 -1 1 {} H 0.0 {0.513725 0.515164 0.331324} H17 1430 -1 1 {} H 0.0 {0.509502 0.521173 0.34748} H18 1431 -1 1 {} H 0.0 {0.512057 0.481774 0.342883} H19 1432 -1 1 {} H 0.0 {0.465465 0.502047 0.378993} H20 1433 -1 1 {} H 0.0 {0.467628 0.486553 0.375002} H21 1434 -1 1 {} H 0.0 {0.483647 0.48924 0.344933} H22 1435 -1 14 {} Si 0.0 {0.598883 0.343024 0.543225} Si1 1436 -1 8 {} O 0.0 {0.612039 0.339608 0.553218} O1 1437 -1 14 {} Si 0.0 {0.627611 0.336767 0.553553} Si2 1438 -1 8 {} O 0.0 {0.626101 0.324546 0.544725} O2 1439 -1 14 {} Si 0.0 {0.619479 0.310257 0.543533} Si3 1440 -1 7 {} N 0.0 {0.614392 0.315564 0.513382} N1 1441 -1 14 {} Si 0.0 {0.607009 0.642617 0.597263} Si4 1442 -1 14 {} Si 0.0 {0.628898 0.308229 0.522042} Si5 1443 -1 7 {} N 0.0 {0.593687 0.64449 0.608435} N2 1444 -1 7 {} N 0.0 {0.621242 0.645583 0.605669} N3 1445 -1 7 {} N 0.0 {0.60658 0.621222 0.591305} N4 1446 -1 7 {} N 0.0 {0.64388 0.319695 0.517694} N5 1447 -1 7 {} N 0.0 {0.630745 0.292499 0.51346} N6 1448 -1 7 {} N 0.0 {0.683141 0.211112 0.227255} N7 1449 -1 8 {} O 0.0 {0.591774 0.328433 0.544802} O3 1450 -1 6 {} C 0.0 {0.601297 0.352689 0.526184} C1 1451 -1 8 {} O 0.0 {0.589174 0.346967 0.55509} O4 1452 -1 7 {} N 0.0 {0.603539 0.30142 0.550253} N8 1453 -1 8 {} O 0.0 {0.633024 0.302136 0.542147} O5 1454 -1 1 {} H 0.0 {0.629022 0.32953 0.568785} H1 1455 -1 1 {} H 0.0 {0.634652 0.348252 0.540542} H2 1456 -1 1 {} H 0.0 {0.596706 0.651612 0.614891} H3 1457 -1 1 {} H 0.0 {0.593622 0.635948 0.615097} H4 1458 -1 1 {} H 0.0 {0.616782 0.312742 0.50339} H5 1459 -1 1 {} H 0.0 {0.619828 0.646829 0.615822} H6 1460 -1 1 {} H 0.0 {0.600417 0.625151 0.584365} H7 1461 -1 1 {} H 0.0 {0.605267 0.610719 0.590243} H8 1462 -1 1 {} H 0.0 {0.649804 0.3157 0.525195} H9 1463 -1 1 {} H 0.0 {0.640014 0.328229 0.520808} H10 1464 -1 1 {} H 0.0 {0.630188 0.294673 0.503604} H11 1465 -1 1 {} H 0.0 {0.640743 0.290189 0.515288} H12 1466 -1 1 {} H 0.0 {0.681164 0.202546 0.231941} H13 1467 -1 1 {} H 0.0 {0.607719 0.307793 0.517489} H14 1468 -1 1 {} H 0.0 {0.597053 0.322201 0.549659} H15 1469 -1 1 {} H 0.0 {0.611286 0.350887 0.522086} H16 1470 -1 1 {} H 0.0 {0.600646 0.363143 0.527842} H17 1471 -1 1 {} H 0.0 {0.592812 0.349481 0.52016} H18 1472 -1 1 {} H 0.0 {0.609998 0.280288 0.514705} H19 1473 -1 1 {} H 0.0 {0.601119 0.294904 0.54302} H20 1474 -1 1 {} H 0.0 {0.60634 0.295726 0.557962} H21 1475 -1 1 {} H 0.0 {0.589887 0.281266 0.55925} H22 1476 -1 14 {} Si 0.0 {0.604656 0.291047 0.643528} Si1 1477 -1 8 {} O 0.0 {0.732867 0.656956 0.573544} O1 1478 -1 14 {} Si 0.0 {0.729323 0.668237 0.584096} Si2 1479 -1 8 {} O 0.0 {0.740136 0.669038 0.595308} O2 1480 -1 14 {} Si 0.0 {0.604914 0.616499 0.28104} Si3 1481 -1 7 {} N 0.0 {0.590145 0.61592 0.274229} N1 1482 -1 14 {} Si 0.0 {0.627595 0.318362 0.373268} Si4 1483 -1 14 {} Si 0.0 {0.580077 0.607679 0.264685} Si5 1484 -1 7 {} N 0.0 {0.650976 0.315363 0.292183} N2 1485 -1 7 {} N 0.0 {0.634184 0.306129 0.359804} N3 1486 -1 7 {} N 0.0 {0.687616 0.135048 0.178925} N4 1487 -1 7 {} N 0.0 {0.589776 0.601389 0.248554} N5 1488 -1 7 {} N 0.0 {0.452777 0.459652 0.670569} N6 1489 -1 7 {} N 0.0 {0.561361 0.615905 0.263232} N7 1490 -1 8 {} O 0.0 {0.715026 0.670148 0.589106} O3 1491 -1 6 {} C 0.0 {0.611107 0.298056 0.658125} C1 1492 -1 8 {} O 0.0 {0.601547 0.275892 0.641172} O4 1493 -1 7 {} N 0.0 {0.618375 0.606548 0.270706} N8 1494 -1 8 {} O 0.0 {0.606501 0.608315 0.301004} O5 1495 -1 1 {} H 0.0 {0.616903 0.622933 0.588301} H1 1496 -1 1 {} H 0.0 {0.712147 0.668923 0.598957} H2 1497 -1 1 {} H 0.0 {0.642528 0.311536 0.287854} H3 1498 -1 1 {} H 0.0 {0.655531 0.305962 0.303993} H4 1499 -1 1 {} H 0.0 {0.648807 0.596328 0.332748} H5 1500 -1 1 {} H 0.0 {0.638863 0.312718 0.353369} H6 1501 -1 1 {} H 0.0 {0.697176 0.132528 0.177433} H7 1502 -1 1 {} H 0.0 {0.68362 0.137135 0.169097} H8 1503 -1 1 {} H 0.0 {0.589057 0.591609 0.250636} H9 1504 -1 1 {} H 0.0 {0.599132 0.603648 0.252052} H10 1505 -1 1 {} H 0.0 {0.455886 0.468277 0.666058} H11 1506 -1 1 {} H 0.0 {0.456288 0.451301 0.66603} H12 1507 -1 1 {} H 0.0 {0.563094 0.617804 0.25377} H13 1508 -1 1 {} H 0.0 {0.565083 0.623715 0.268955} H14 1509 -1 1 {} H 0.0 {0.603272 0.243067 0.618327} H15 1510 -1 1 {} H 0.0 {0.700608 0.657267 0.696394} H16 1511 -1 1 {} H 0.0 {0.611939 0.290263 0.66502} H17 1512 -1 1 {} H 0.0 {0.641263 0.32235 0.659701} H18 1513 -1 1 {} H 0.0 {0.606675 0.2733 0.633189} H19 1514 -1 1 {} H 0.0 {0.624317 0.614515 0.2689} H20 1515 -1 1 {} H 0.0 {0.622444 0.601274 0.278566} H21 1516 -1 1 {} H 0.0 {0.616126 0.605631 0.302353} H22 1517 -1 14 {} Si 0.0 {0.487781 0.489722 0.6447} Si1 1518 -1 8 {} O 0.0 {0.472468 0.485232 0.640346} O1 1519 -1 14 {} Si 0.0 {0.458938 0.487407 0.63239} Si2 1520 -1 8 {} O 0.0 {0.463085 0.487206 0.617175} O2 1521 -1 14 {} Si 0.0 {0.472389 0.49417 0.605384} Si3 1522 -1 7 {} N 0.0 {0.487408 0.48559 0.597722} N1 1523 -1 14 {} Si 0.0 {0.501872 0.491422 0.593432} Si4 1524 -1 14 {} Si 0.0 {0.486342 0.469977 0.592454} Si5 1525 -1 7 {} N 0.0 {0.515695 0.480442 0.58266} N2 1526 -1 7 {} N 0.0 {0.51118 0.497435 0.6086} N3 1527 -1 7 {} N 0.0 {0.499226 0.506502 0.581351} N4 1528 -1 7 {} N 0.0 {0.499202 0.456969 0.601312} N5 1529 -1 7 {} N 0.0 {0.468898 0.463081 0.599799} N6 1530 -1 7 {} N 0.0 {0.487012 0.467617 0.573641} N7 1531 -1 8 {} O 0.0 {0.485942 0.504955 0.64181} O3 1532 -1 6 {} C 0.0 {0.501514 0.482293 0.637802} C1 1533 -1 8 {} O 0.0 {0.484491 0.490349 0.666778} O4 1534 -1 7 {} N 0.0 {0.478378 0.510942 0.61291} N8 1535 -1 8 {} O 0.0 {0.462091 0.494993 0.593501} O5 1536 -1 1 {} H 0.0 {0.454701 0.500895 0.635597} H1 1537 -1 1 {} H 0.0 {0.447995 0.47536 0.635507} H2 1538 -1 1 {} H 0.0 {0.51056 0.472007 0.581451} H3 1539 -1 1 {} H 0.0 {0.522443 0.478181 0.590327} H4 1540 -1 1 {} H 0.0 {0.504342 0.503517 0.61315} H5 1541 -1 1 {} H 0.0 {0.518473 0.50341 0.604951} H6 1542 -1 1 {} H 0.0 {0.500646 0.501733 0.572399} H7 1543 -1 1 {} H 0.0 {0.489332 0.508605 0.580675} H8 1544 -1 1 {} H 0.0 {0.505032 0.451728 0.594471} H9 1545 -1 1 {} H 0.0 {0.492151 0.449514 0.603898} H10 1546 -1 1 {} H 0.0 {0.472469 0.45524 0.605354} H11 1547 -1 1 {} H 0.0 {0.46595 0.470414 0.606532} H12 1548 -1 1 {} H 0.0 {0.495559 0.462822 0.57055} H13 1549 -1 1 {} H 0.0 {0.478914 0.462087 0.571052} H14 1550 -1 1 {} H 0.0 {0.477013 0.509202 0.647406} H15 1551 -1 1 {} H 0.0 {0.516217 0.485773 0.646534} H16 1552 -1 1 {} H 0.0 {0.503083 0.485483 0.628127} H17 1553 -1 1 {} H 0.0 {0.499846 0.471984 0.638423} H18 1554 -1 1 {} H 0.0 {0.47808 0.497281 0.666705} H19 1555 -1 1 {} H 0.0 {0.48072 0.508133 0.622761} H20 1556 -1 1 {} H 0.0 {0.469314 0.516245 0.612569} H21 1557 -1 1 {} H 0.0 {0.465605 0.491426 0.585218} H22 1558 -1 14 {} Si 0.0 {0.603009 0.632229 0.64921} Si1 1559 -1 8 {} O 0.0 {0.604676 0.620615 0.637559} O1 1560 -1 14 {} Si 0.0 {0.609165 0.612086 0.625468} Si2 1561 -1 8 {} O 0.0 {0.613818 0.597381 0.629029} O2 1562 -1 14 {} Si 0.0 {0.622833 0.590424 0.639053} Si3 1563 -1 7 {} N 0.0 {0.637837 0.564989 0.609095} N1 1564 -1 14 {} Si 0.0 {0.645406 0.56924 0.622264} Si4 1565 -1 14 {} Si 0.0 {0.627049 0.574804 0.602659} Si5 1566 -1 7 {} N 0.0 {0.645249 0.553572 0.633706} N2 1567 -1 7 {} N 0.0 {0.639963 0.586899 0.632245} N3 1568 -1 7 {} N 0.0 {0.663118 0.572547 0.618721} N4 1569 -1 7 {} N 0.0 {0.630005 0.593859 0.602339} N5 1570 -1 7 {} N 0.0 {0.628452 0.572023 0.582237} N6 1571 -1 7 {} N 0.0 {0.608767 0.572527 0.608398} N7 1572 -1 8 {} O 0.0 {0.58696 0.645334 0.641893} O3 1573 -1 6 {} C 0.0 {0.588952 0.6372 0.65639} C1 1574 -1 8 {} O 0.0 {0.617877 0.631672 0.654768} O4 1575 -1 7 {} N 0.0 {0.617801 0.572379 0.646126} N8 1576 -1 8 {} O 0.0 {0.620827 0.600258 0.651086} O5 1577 -1 1 {} H 0.0 {0.622231 0.618757 0.6197} H1 1578 -1 1 {} H 0.0 {0.598175 0.611628 0.61511} H2 1579 -1 1 {} H 0.0 {0.648467 0.54685 0.627468} H3 1580 -1 1 {} H 0.0 {0.653827 0.556526 0.639082} H4 1581 -1 1 {} H 0.0 {0.648186 0.590183 0.637674} H5 1582 -1 1 {} H 0.0 {0.640922 0.59302 0.624371} H6 1583 -1 1 {} H 0.0 {0.665658 0.582253 0.619653} H7 1584 -1 1 {} H 0.0 {0.66376 0.571244 0.608345} H8 1585 -1 1 {} H 0.0 {0.625614 0.598068 0.594305} H9 1586 -1 1 {} H 0.0 {0.623939 0.595463 0.61065} H10 1587 -1 1 {} H 0.0 {0.63654 0.565901 0.581949} H11 1588 -1 1 {} H 0.0 {0.621623 0.565444 0.57814} H12 1589 -1 1 {} H 0.0 {0.606713 0.562813 0.606836} H13 1590 -1 1 {} H 0.0 {0.608624 0.573147 0.618508} H14 1591 -1 1 {} H 0.0 {0.58254 0.638162 0.636756} H15 1592 -1 1 {} H 0.0 {0.606812 0.620917 0.479456} H16 1593 -1 1 {} H 0.0 {0.585512 0.6376 0.66597} H17 1594 -1 1 {} H 0.0 {0.553461 0.633807 0.6097} H18 1595 -1 1 {} H 0.0 {0.619391 0.62424 0.660654} H19 1596 -1 1 {} H 0.0 {0.627777 0.568988 0.644324} H20 1597 -1 1 {} H 0.0 {0.613316 0.568627 0.637118} H21 1598 -1 1 {} H 0.0 {0.619127 0.610464 0.648721} H22 1599 -1 14 {} Si 0.0 {0.564351 0.564501 0.49088} Si1 1600 -1 8 {} O 0.0 {0.550367 0.568798 0.498129} O1 1601 -1 14 {} Si 0.0 {0.537069 0.576153 0.499365} Si2 1602 -1 8 {} O 0.0 {0.530856 0.571507 0.512966} O2 1603 -1 14 {} Si 0.0 {0.527554 0.570524 0.5281} Si3 1604 -1 7 {} N 0.0 {0.523082 0.553417 0.533906} N1 1605 -1 14 {} Si 0.0 {0.539163 0.54402 0.539094} Si4 1606 -1 14 {} Si 0.0 {0.51037 0.543374 0.535614} Si5 1607 -1 7 {} N 0.0 {0.537283 0.52818 0.537064} N2 1608 -1 7 {} N 0.0 {0.541768 0.549437 0.557463} N3 1609 -1 7 {} N 0.0 {0.55239 0.55092 0.526801} N4 1610 -1 7 {} N 0.0 {0.495499 0.55588 0.543088} N5 1611 -1 7 {} N 0.0 {0.505507 0.535937 0.521221} N6 1612 -1 7 {} N 0.0 {0.511715 0.530117 0.549441} N7 1613 -1 8 {} O 0.0 {0.557093 0.55851 0.477482} O3 1614 -1 6 {} C 0.0 {0.579034 0.576149 0.488596} C1 1615 -1 8 {} O 0.0 {0.566678 0.550707 0.498542} O4 1616 -1 7 {} N 0.0 {0.51388 0.581558 0.534668} N8 1617 -1 8 {} O 0.0 {0.540559 0.577358 0.532774} O5 1618 -1 1 {} H 0.0 {0.528731 0.568922 0.49091} H1 1619 -1 1 {} H 0.0 {0.577062 0.621139 0.49712} H2 1620 -1 1 {} H 0.0 {0.556926 0.494697 0.537512} H3 1621 -1 1 {} H 0.0 {0.528315 0.525492 0.54046} H4 1622 -1 1 {} H 0.0 {0.551923 0.54825 0.557637} H5 1623 -1 1 {} H 0.0 {0.540703 0.559556 0.555581} H6 1624 -1 1 {} H 0.0 {0.550801 0.560929 0.52621} H7 1625 -1 1 {} H 0.0 {0.561322 0.549612 0.531849} H8 1626 -1 1 {} H 0.0 {0.499033 0.565432 0.543678} H9 1627 -1 1 {} H 0.0 {0.489112 0.555204 0.535464} H10 1628 -1 1 {} H 0.0 {0.502388 0.542541 0.514496} H11 1629 -1 1 {} H 0.0 {0.51479 0.532153 0.516422} H12 1630 -1 1 {} H 0.0 {0.501798 0.529377 0.551274} H13 1631 -1 1 {} H 0.0 {0.517262 0.534129 0.557239} H14 1632 -1 1 {} H 0.0 {0.54767 0.558545 0.477522} H15 1633 -1 1 {} H 0.0 {0.575816 0.585759 0.485739} H16 1634 -1 1 {} H 0.0 {0.587253 0.571762 0.482323} H17 1635 -1 1 {} H 0.0 {0.583032 0.575154 0.498208} H18 1636 -1 1 {} H 0.0 {0.56053 0.550487 0.506078} H19 1637 -1 1 {} H 0.0 {0.517056 0.59127 0.534321} H20 1638 -1 1 {} H 0.0 {0.507179 0.581349 0.526793} H21 1639 -1 1 {} H 0.0 {0.542548 0.587164 0.532394} H22 1640 -1 14 {} Si 0.0 {0.640156 0.470449 0.575119} Si1 1641 -1 8 {} O 0.0 {0.638647 0.482443 0.585162} O1 1642 -1 14 {} Si 0.0 {0.634539 0.496167 0.589596} Si2 1643 -1 8 {} O 0.0 {0.641693 0.503073 0.577012} O2 1644 -1 14 {} Si 0.0 {0.653358 0.512334 0.57241} Si3 1645 -1 7 {} N 0.0 {0.651607 0.520431 0.554859} N1 1646 -1 14 {} Si 0.0 {0.6382 0.527791 0.560611} Si4 1647 -1 14 {} Si 0.0 {0.657349 0.525007 0.540752} Si5 1648 -1 7 {} N 0.0 {0.63692 0.545359 0.568644} N2 1649 -1 7 {} N 0.0 {0.621202 0.521752 0.552836} N3 1650 -1 7 {} N 0.0 {0.627411 0.514201 0.520498} N4 1651 -1 7 {} N 0.0 {0.657584 0.508761 0.528632} N5 1652 -1 7 {} N 0.0 {0.64894 0.538683 0.530619} N6 1653 -1 7 {} N 0.0 {0.67783 0.529806 0.543863} N7 1654 -1 8 {} O 0.0 {0.630984 0.45942 0.581997} O3 1655 -1 6 {} C 0.0 {0.641297 0.474178 0.555412} C1 1656 -1 8 {} O 0.0 {0.641697 0.459407 0.546005} O4 1657 -1 7 {} N 0.0 {0.620142 0.49785 0.602004} N8 1658 -1 8 {} O 0.0 {0.652079 0.522218 0.584301} O5 1659 -1 1 {} H 0.0 {0.643891 0.499449 0.601177} H1 1660 -1 1 {} H 0.0 {0.665658 0.396675 0.613669} H2 1661 -1 1 {} H 0.0 {0.638543 0.551224 0.560547} H3 1662 -1 1 {} H 0.0 {0.644502 0.545645 0.575301} H4 1663 -1 1 {} H 0.0 {0.623836 0.519294 0.543135} H5 1664 -1 1 {} H 0.0 {0.616546 0.530879 0.552097} H6 1665 -1 1 {} H 0.0 {0.620313 0.520896 0.524028} H7 1666 -1 1 {} H 0.0 {0.634938 0.520724 0.518512} H8 1667 -1 1 {} H 0.0 {0.657582 0.512557 0.518901} H9 1668 -1 1 {} H 0.0 {0.647412 0.506074 0.529105} H10 1669 -1 1 {} H 0.0 {0.641122 0.542305 0.536808} H11 1670 -1 1 {} H 0.0 {0.655826 0.546585 0.530013} H12 1671 -1 1 {} H 0.0 {0.680379 0.520549 0.540085} H13 1672 -1 1 {} H 0.0 {0.67768 0.536379 0.536673} H14 1673 -1 1 {} H 0.0 {0.621184 0.462401 0.581886} H15 1674 -1 1 {} H 0.0 {0.597326 0.411875 0.655148} H16 1675 -1 1 {} H 0.0 {0.634124 0.481518 0.553295} H17 1676 -1 1 {} H 0.0 {0.654372 0.466785 0.576176} H18 1677 -1 1 {} H 0.0 {0.636657 0.46233 0.538189} H19 1678 -1 1 {} H 0.0 {0.621157 0.488876 0.606798} H20 1679 -1 1 {} H 0.0 {0.611894 0.497743 0.595568} H21 1680 -1 1 {} H 0.0 {0.66864 0.517776 0.599163} H22 1681 -1 14 {} Si 0.0 {0.65243 0.627702 0.61049} Si1 1682 -1 8 {} O 0.0 {0.66243 0.620778 0.620728} O1 1683 -1 14 {} Si 0.0 {0.670974 0.626205 0.632279} Si2 1684 -1 8 {} O 0.0 {0.66986 0.642021 0.630986} O2 1685 -1 14 {} Si 0.0 {0.676037 0.655886 0.632434} Si3 1686 -1 7 {} N 0.0 {0.688845 0.658059 0.643471} N1 1687 -1 14 {} Si 0.0 {0.707311 0.660162 0.63554} Si4 1688 -1 14 {} Si 0.0 {0.689698 0.661569 0.659645} Si5 1689 -1 7 {} N 0.0 {0.706827 0.66334 0.620263} N2 1690 -1 7 {} N 0.0 {0.71728 0.642736 0.637226} N3 1691 -1 7 {} N 0.0 {0.717625 0.674827 0.644049} N4 1692 -1 7 {} N 0.0 {0.675252 0.652201 0.668542} N5 1693 -1 7 {} N 0.0 {0.703661 0.654518 0.66685} N6 1694 -1 7 {} N 0.0 {0.688981 0.679286 0.663179} N7 1695 -1 8 {} O 0.0 {0.653689 0.611719 0.596469} O3 1696 -1 6 {} C 0.0 {0.654069 0.644714 0.602329} C1 1697 -1 8 {} O 0.0 {0.638122 0.62303 0.618299} O4 1698 -1 7 {} N 0.0 {0.662034 0.6676 0.639081} N8 1699 -1 8 {} O 0.0 {0.677819 0.658513 0.616673} O5 1700 -1 1 {} H 0.0 {0.686935 0.62106 0.629827} H1 1701 -1 1 {} H 0.0 {0.665929 0.620849 0.64678} H2 1702 -1 1 {} H 0.0 {0.618158 0.68269 0.30201} H3 1703 -1 1 {} H 0.0 {0.620797 0.681145 0.294971} H4 1704 -1 1 {} H 0.0 {0.722922 0.644255 0.629108} H5 1705 -1 1 {} H 0.0 {0.709683 0.637161 0.633878} H6 1706 -1 1 {} H 0.0 {0.713928 0.676138 0.653173} H7 1707 -1 1 {} H 0.0 {0.715453 0.682066 0.63758} H8 1708 -1 1 {} H 0.0 {0.671427 0.646606 0.661558} H9 1709 -1 1 {} H 0.0 {0.68068 0.646477 0.674763} H10 1710 -1 1 {} H 0.0 {0.71108 0.661666 0.668073} H11 1711 -1 1 {} H 0.0 {0.706714 0.646801 0.661075} H12 1712 -1 1 {} H 0.0 {0.68804 0.68246 0.653464} H13 1713 -1 1 {} H 0.0 {0.679822 0.679841 0.666465} H14 1714 -1 1 {} H 0.0 {0.647294 0.604672 0.601117} H15 1715 -1 1 {} H 0.0 {0.656637 0.649798 0.610899} H16 1716 -1 1 {} H 0.0 {0.643948 0.647495 0.599788} H17 1717 -1 1 {} H 0.0 {0.661892 0.643244 0.594634} H18 1718 -1 1 {} H 0.0 {0.641504 0.620914 0.627389} H19 1719 -1 1 {} H 0.0 {0.664142 0.666464 0.648867} H20 1720 -1 1 {} H 0.0 {0.655181 0.660379 0.637007} H21 1721 -1 1 {} H 0.0 {0.687798 0.657203 0.614749} H22 1722 -1 14 {} Si 0.0 {0.317003 0.512034 0.463958} Si1 1723 -1 8 {} O 0.0 {0.324786 0.504721 0.452497} O1 1724 -1 14 {} Si 0.0 {0.329498 0.497568 0.439683} Si2 1725 -1 8 {} O 0.0 {0.344658 0.501137 0.437749} O2 1726 -1 14 {} Si 0.0 {0.358051 0.496131 0.431491} Si3 1727 -1 7 {} N 0.0 {0.367728 0.485283 0.437562} N1 1728 -1 14 {} Si 0.0 {0.39308 0.494938 0.438226} Si4 1729 -1 14 {} Si 0.0 {0.370828 0.494133 0.467449} Si5 1730 -1 7 {} N 0.0 {0.40517 0.481225 0.436053} N2 1731 -1 7 {} N 0.0 {0.377469 0.488783 0.449086} N3 1732 -1 7 {} N 0.0 {0.400625 0.508246 0.445291} N4 1733 -1 7 {} N 0.0 {0.37547 0.478035 0.477414} N5 1734 -1 7 {} N 0.0 {0.375717 0.510095 0.464402} N6 1735 -1 7 {} N 0.0 {0.354383 0.493315 0.464801} N7 1736 -1 8 {} O 0.0 {0.327767 0.500824 0.478064} O3 1737 -1 6 {} C 0.0 {0.300713 0.514107 0.466082} C1 1738 -1 8 {} O 0.0 {0.328525 0.53008 0.461525} O4 1739 -1 7 {} N 0.0 {0.362195 0.504981 0.414416} N8 1740 -1 8 {} O 0.0 {0.353467 0.459215 0.469078} O5 1741 -1 1 {} H 0.0 {0.323392 0.502654 0.428901} H1 1742 -1 1 {} H 0.0 {0.327833 0.472472 0.44674} H2 1743 -1 1 {} H 0.0 {0.413509 0.487225 0.4369} H3 1744 -1 1 {} H 0.0 {0.404776 0.474731 0.443714} H4 1745 -1 1 {} H 0.0 {0.383239 0.480998 0.45266} H5 1746 -1 1 {} H 0.0 {0.343656 0.457212 0.467388} H6 1747 -1 1 {} H 0.0 {0.394972 0.513075 0.452656} H7 1748 -1 1 {} H 0.0 {0.40154 0.515569 0.438399} H8 1749 -1 1 {} H 0.0 {0.36625 0.476223 0.48086} H9 1750 -1 1 {} H 0.0 {0.381032 0.482171 0.485141} H10 1751 -1 1 {} H 0.0 {0.369712 0.51681 0.469681} H11 1752 -1 1 {} H 0.0 {0.373041 0.512916 0.455033} H12 1753 -1 1 {} H 0.0 {0.353081 0.49708 0.455612} H13 1754 -1 1 {} H 0.0 {0.351357 0.483006 0.464402} H14 1755 -1 1 {} H 0.0 {0.335162 0.499336 0.472045} H15 1756 -1 1 {} H 0.0 {0.293888 0.512273 0.458605} H16 1757 -1 1 {} H 0.0 {0.29772 0.516034 0.475982} H17 1758 -1 1 {} H 0.0 {0.679336 0.482563 0.371404} H18 1759 -1 1 {} H 0.0 {0.335533 0.527788 0.454775} H19 1760 -1 1 {} H 0.0 {0.361806 0.497433 0.407604} H20 1761 -1 1 {} H 0.0 {0.353472 0.510274 0.41258} H21 1762 -1 1 {} H 0.0 {0.352217 0.464936 0.477394} H22 1763 -1 14 {} Si 0.0 {0.488021 0.603229 0.391694} Si1 1764 -1 8 {} O 0.0 {0.483589 0.617318 0.387804} O1 1765 -1 14 {} Si 0.0 {0.479908 0.62969 0.378249} Si2 1766 -1 8 {} O 0.0 {0.46442 0.625895 0.375852} O2 1767 -1 14 {} Si 0.0 {0.452045 0.619459 0.383438} Si3 1768 -1 7 {} N 0.0 {0.44753 0.601866 0.381761} N1 1769 -1 14 {} Si 0.0 {0.447635 0.591899 0.365041} Si4 1770 -1 14 {} Si 0.0 {0.439861 0.589381 0.389041} Si5 1771 -1 7 {} N 0.0 {0.461671 0.600649 0.355004} N2 1772 -1 7 {} N 0.0 {0.43365 0.593076 0.357403} N3 1773 -1 7 {} N 0.0 {0.451841 0.573079 0.365094} N4 1774 -1 7 {} N 0.0 {0.448418 0.580789 0.402057} N5 1775 -1 7 {} N 0.0 {0.422565 0.588071 0.388176} N6 1776 -1 7 {} N 0.0 {0.436721 0.553708 0.385555} N7 1777 -1 8 {} O 0.0 {0.507216 0.610447 0.39008} O3 1778 -1 6 {} C 0.0 {0.481666 0.587366 0.384108} C1 1779 -1 8 {} O 0.0 {0.486013 0.605285 0.40691} O4 1780 -1 7 {} N 0.0 {0.436735 0.627121 0.376487} N8 1781 -1 8 {} O 0.0 {0.454676 0.62581 0.39836} O5 1782 -1 1 {} H 0.0 {0.485638 0.626537 0.364401} H1 1783 -1 1 {} H 0.0 {0.481847 0.635888 0.404046} H2 1784 -1 1 {} H 0.0 {0.463118 0.607752 0.362023} H3 1785 -1 1 {} H 0.0 {0.454916 0.604503 0.348232} H4 1786 -1 1 {} H 0.0 {0.452753 0.604092 0.437297} H5 1787 -1 1 {} H 0.0 {0.425401 0.591114 0.362038} H6 1788 -1 1 {} H 0.0 {0.447045 0.570391 0.35671} H7 1789 -1 1 {} H 0.0 {0.461476 0.574081 0.362596} H8 1790 -1 1 {} H 0.0 {0.44165 0.579385 0.410055} H9 1791 -1 1 {} H 0.0 {0.456261 0.585949 0.406316} H10 1792 -1 1 {} H 0.0 {0.418547 0.597139 0.386278} H11 1793 -1 1 {} H 0.0 {0.419407 0.585455 0.397591} H12 1794 -1 1 {} H 0.0 {0.426829 0.555776 0.387379} H13 1795 -1 1 {} H 0.0 {0.441665 0.562803 0.384947} H14 1796 -1 1 {} H 0.0 {0.506106 0.62023 0.388981} H15 1797 -1 1 {} H 0.0 {0.475637 0.589293 0.375812} H16 1798 -1 1 {} H 0.0 {0.476908 0.581301 0.391794} H17 1799 -1 1 {} H 0.0 {0.490247 0.5821 0.381286} H18 1800 -1 1 {} H 0.0 {0.494776 0.60609 0.411289} H19 1801 -1 1 {} H 0.0 {0.438255 0.634797 0.37024} H20 1802 -1 1 {} H 0.0 {0.432842 0.618988 0.372043} H21 1803 -1 1 {} H 0.0 {0.463843 0.623635 0.402119} H22 1804 -1 14 {} Si 0.0 {0.699675 0.532553 0.50036} Si1 1805 -1 8 {} O 0.0 {0.707119 0.545758 0.498203} O1 1806 -1 14 {} Si 0.0 {0.721352 0.538757 0.503419} Si2 1807 -1 8 {} O 0.0 {0.720453 0.547411 0.516464} O2 1808 -1 14 {} Si 0.0 {0.711772 0.553856 0.527938} Si3 1809 -1 7 {} N 0.0 {0.705854 0.540854 0.541627} N1 1810 -1 14 {} Si 0.0 {0.694802 0.537685 0.553263} Si4 1811 -1 14 {} Si 0.0 {0.720958 0.537725 0.546147} Si5 1812 -1 7 {} N 0.0 {0.698417 0.523862 0.566058} N2 1813 -1 7 {} N 0.0 {0.690034 0.553867 0.563868} N3 1814 -1 7 {} N 0.0 {0.328704 0.553522 0.602557} N4 1815 -1 7 {} N 0.0 {0.377257 0.559092 0.523672} N5 1816 -1 7 {} N 0.0 {0.725688 0.545249 0.564042} N6 1817 -1 7 {} N 0.0 {0.723899 0.518545 0.546851} N7 1818 -1 8 {} O 0.0 {0.707369 0.524978 0.488656} O3 1819 -1 6 {} C 0.0 {0.757867 0.800191 0.00734615} C1 1820 -1 8 {} O 0.0 {0.711743 0.523902 0.514823} O4 1821 -1 7 {} N 0.0 {0.711462 0.569346 0.532612} N8 1822 -1 8 {} O 0.0 {0.358447 0.717671 0.674489} O5 1823 -1 1 {} H 0.0 {0.724698 0.552749 0.602115} H1 1824 -1 1 {} H 0.0 {0.360516 0.734731 0.691592} H2 1825 -1 1 {} H 0.0 {0.698757 0.515321 0.56037} H3 1826 -1 1 {} H 0.0 {0.689586 0.523771 0.57063} H4 1827 -1 1 {} H 0.0 {0.680347 0.551313 0.566528} H5 1828 -1 1 {} H 0.0 {0.689482 0.56108 0.55716} H6 1829 -1 1 {} H 0.0 {0.331581 0.563517 0.603983} H7 1830 -1 1 {} H 0.0 {0.331435 0.552244 0.592789} H8 1831 -1 1 {} H 0.0 {0.382066 0.554049 0.531441} H9 1832 -1 1 {} H 0.0 {0.370908 0.553079 0.517785} H10 1833 -1 1 {} H 0.0 {0.716126 0.544643 0.567919} H11 1834 -1 1 {} H 0.0 {0.729209 0.536322 0.567241} H12 1835 -1 1 {} H 0.0 {0.717258 0.513413 0.552577} H13 1836 -1 1 {} H 0.0 {0.722717 0.514918 0.537554} H14 1837 -1 1 {} H 0.0 {0.700168 0.523967 0.481838} H15 1838 -1 1 {} H 0.0 {0.765935 0.796131 0.00192407} H16 1839 -1 1 {} H 0.0 {0.757795 0.799532 0.0177758} H17 1840 -1 1 {} H 0.0 {0.750556 0.805629 0.00249614} H18 1841 -1 1 {} H 0.0 {0.710074 0.529123 0.523266} H19 1842 -1 1 {} H 0.0 {0.324092 0.57384 0.62422} H20 1843 -1 1 {} H 0.0 {0.711668 0.576003 0.525244} H21 1844 -1 1 {} H 0.0 {0.351096 0.711553 0.671796} H22 1845 -1 14 {} Si 0.0 {0.618946 0.569894 0.470716} Si1 1846 -1 8 {} O 0.0 {0.608768 0.56367 0.461346} O1 1847 -1 14 {} Si 0.0 {0.598319 0.569013 0.451058} Si2 1848 -1 8 {} O 0.0 {0.642778 0.619783 0.484551} O2 1849 -1 14 {} Si 0.0 {0.629341 0.661868 0.500631} Si3 1850 -1 7 {} N 0.0 {0.626436 0.6652 0.516389} N1 1851 -1 14 {} Si 0.0 {0.641879 0.665474 0.522629} Si4 1852 -1 14 {} Si 0.0 {0.610218 0.666854 0.515868} Si5 1853 -1 7 {} N 0.0 {0.64996 0.6827 0.525411} N2 1854 -1 7 {} N 0.0 {0.654674 0.653446 0.514491} N3 1855 -1 7 {} N 0.0 {0.639263 0.657119 0.540296} N4 1856 -1 7 {} N 0.0 {0.604071 0.666685 0.534992} N5 1857 -1 7 {} N 0.0 {0.605111 0.684766 0.506596} N6 1858 -1 7 {} N 0.0 {0.600389 0.652237 0.50776} N7 1859 -1 8 {} O 0.0 {0.607002 0.574743 0.498401} O3 1860 -1 6 {} C 0.0 {0.563172 0.574021 0.447204} C1 1861 -1 8 {} O 0.0 {0.590721 0.694636 0.516564} O4 1862 -1 7 {} N 0.0 {0.38042 0.695284 0.369469} N8 1863 -1 8 {} O 0.0 {0.669788 0.627576 0.457628} O5 1864 -1 1 {} H 0.0 {0.623962 0.51178 0.5108} H1 1865 -1 1 {} H 0.0 {0.682131 0.2171 0.204196} H2 1866 -1 1 {} H 0.0 {0.641622 0.686633 0.530976} H3 1867 -1 1 {} H 0.0 {0.648853 0.687211 0.516034} H4 1868 -1 1 {} H 0.0 {0.648802 0.644599 0.51303} H5 1869 -1 1 {} H 0.0 {0.661221 0.65008 0.521151} H6 1870 -1 1 {} H 0.0 {0.629489 0.658118 0.540248} H7 1871 -1 1 {} H 0.0 {0.642979 0.664725 0.545867} H8 1872 -1 1 {} H 0.0 {0.596083 0.659904 0.534304} H9 1873 -1 1 {} H 0.0 {0.60132 0.67659 0.535597} H10 1874 -1 1 {} H 0.0 {0.604643 0.681276 0.497156} H11 1875 -1 1 {} H 0.0 {0.613753 0.690115 0.507008} H12 1876 -1 1 {} H 0.0 {0.606532 0.644308 0.510898} H13 1877 -1 1 {} H 0.0 {0.601479 0.652534 0.497809} H14 1878 -1 1 {} H 0.0 {0.606799 0.566451 0.504167} H15 1879 -1 1 {} H 0.0 {0.569444 0.565625 0.442718} H16 1880 -1 1 {} H 0.0 {0.56644 0.572638 0.457757} H17 1881 -1 1 {} H 0.0 {0.552907 0.571704 0.446893} H18 1882 -1 1 {} H 0.0 {0.613437 0.572555 0.486317} H19 1883 -1 1 {} H 0.0 {0.374018 0.687488 0.369828} H20 1884 -1 1 {} H 0.0 {0.378548 0.699487 0.360299} H21 1885 -1 1 {} H 0.0 {0.668124 0.620027 0.464658} H22 1886 -1 14 {} Si 0.0 {0.428128 0.462445 0.417493} Si1 1887 -1 8 {} O 0.0 {0.440815 0.465403 0.401486} O1 1888 -1 14 {} Si 0.0 {0.447005 0.458768 0.38879} Si2 1889 -1 8 {} O 0.0 {0.453757 0.446121 0.39704} O2 1890 -1 14 {} Si 0.0 {0.466079 0.439383 0.403269} Si3 1891 -1 7 {} N 0.0 {0.461122 0.437634 0.421948} N1 1892 -1 14 {} Si 0.0 {0.457415 0.423421 0.429033} Si4 1893 -1 14 {} Si 0.0 {0.465051 0.448111 0.433965} Si5 1894 -1 7 {} N 0.0 {0.446033 0.423766 0.445583} N2 1895 -1 7 {} N 0.0 {0.472732 0.412778 0.433403} N3 1896 -1 7 {} N 0.0 {0.447895 0.413076 0.415182} N4 1897 -1 7 {} N 0.0 {0.482474 0.445118 0.440788} N5 1898 -1 7 {} N 0.0 {0.467041 0.466222 0.425803} N6 1899 -1 7 {} N 0.0 {0.454387 0.45309 0.448271} N7 1900 -1 8 {} O 0.0 {0.433056 0.447151 0.421558} O3 1901 -1 6 {} C 0.0 {0.444699 0.481929 0.395973} C1 1902 -1 8 {} O 0.0 {0.436604 0.469185 0.428253} O4 1903 -1 7 {} N 0.0 {0.484319 0.444237 0.405848} N8 1904 -1 8 {} O 0.0 {0.463554 0.426307 0.394789} O5 1905 -1 1 {} H 0.0 {0.424369 0.518612 0.376244} H1 1906 -1 1 {} H 0.0 {0.434127 0.452737 0.381343} H2 1907 -1 1 {} H 0.0 {0.444582 0.433825 0.446748} H3 1908 -1 1 {} H 0.0 {0.453753 0.421494 0.452057} H4 1909 -1 1 {} H 0.0 {0.477657 0.417437 0.441066} H5 1910 -1 1 {} H 0.0 {0.478945 0.414674 0.425001} H6 1911 -1 1 {} H 0.0 {0.454512 0.405949 0.411335} H7 1912 -1 1 {} H 0.0 {0.448942 0.420052 0.407748} H8 1913 -1 1 {} H 0.0 {0.481792 0.450998 0.449476} H9 1914 -1 1 {} H 0.0 {0.488743 0.450469 0.43503} H10 1915 -1 1 {} H 0.0 {0.469451 0.471118 0.434657} H11 1916 -1 1 {} H 0.0 {0.456641 0.46788 0.424311} H12 1917 -1 1 {} H 0.0 {0.459196 0.449503 0.456857} H13 1918 -1 1 {} H 0.0 {0.452515 0.462917 0.449229} H14 1919 -1 1 {} H 0.0 {0.44138 0.445046 0.416161} H15 1920 -1 1 {} H 0.0 {0.435073 0.486266 0.395745} H16 1921 -1 1 {} H 0.0 {0.449717 0.4863 0.387808} H17 1922 -1 1 {} H 0.0 {0.449178 0.484405 0.405602} H18 1923 -1 1 {} H 0.0 {0.440365 0.462493 0.43468} H19 1924 -1 1 {} H 0.0 {0.484626 0.445891 0.415767} H20 1925 -1 1 {} H 0.0 {0.488122 0.434902 0.404739} H21 1926 -1 1 {} H 0.0 {0.469391 0.426914 0.386398} H22 1927 -1 14 {} Si 0.0 {0.509303 0.681363 0.259952} Si1 1928 -1 8 {} O 0.0 {0.448391 0.695258 0.670534} O1 1929 -1 14 {} Si 0.0 {0.500201 0.700887 0.27088} Si2 1930 -1 8 {} O 0.0 {0.512953 0.692468 0.277419} O2 1931 -1 14 {} Si 0.0 {0.508313 0.672475 0.283536} Si3 1932 -1 7 {} N 0.0 {0.491674 0.673017 0.290314} N1 1933 -1 14 {} Si 0.0 {0.473633 0.667412 0.284866} Si4 1934 -1 14 {} Si 0.0 {0.490236 0.689048 0.291352} Si5 1935 -1 7 {} N 0.0 {0.474695 0.662741 0.269523} N2 1936 -1 7 {} N 0.0 {0.46055 0.681829 0.287589} N3 1937 -1 7 {} N 0.0 {0.469243 0.653423 0.29734} N4 1938 -1 7 {} N 0.0 {0.484699 0.701135 0.277137} N5 1939 -1 7 {} N 0.0 {0.488169 0.695195 0.308689} N6 1940 -1 7 {} N 0.0 {0.489015 0.677735 0.405425} N7 1941 -1 8 {} O 0.0 {0.4075 0.682572 0.682411} O3 1942 -1 6 {} C 0.0 {0.37012 0.314359 0.351649} C1 1943 -1 8 {} O 0.0 {0.493767 0.682317 0.258372} O4 1944 -1 7 {} N 0.0 {0.52177 0.664289 0.295181} N8 1945 -1 8 {} O 0.0 {0.503582 0.653373 0.272159} O5 1946 -1 1 {} H 0.0 {0.439751 0.700162 0.667521} H1 1947 -1 1 {} H 0.0 {0.468029 0.556756 0.662023} H2 1948 -1 1 {} H 0.0 {0.480035 0.614339 0.272862} H3 1949 -1 1 {} H 0.0 {0.467111 0.665497 0.263953} H4 1950 -1 1 {} H 0.0 {0.4652 0.685965 0.295399} H5 1951 -1 1 {} H 0.0 {0.452975 0.676316 0.29183} H6 1952 -1 1 {} H 0.0 {0.47601 0.652861 0.304422} H7 1953 -1 1 {} H 0.0 {0.470186 0.645602 0.2909} H8 1954 -1 1 {} H 0.0 {0.537709 0.329459 0.325271} H9 1955 -1 1 {} H 0.0 {0.477526 0.695714 0.272588} H10 1956 -1 1 {} H 0.0 {0.47797 0.695444 0.309223} H11 1957 -1 1 {} H 0.0 {0.491185 0.704461 0.306612} H12 1958 -1 1 {} H 0.0 {0.482463 0.670702 0.408854} H13 1959 -1 1 {} H 0.0 {0.491286 0.682934 0.414191} H14 1960 -1 1 {} H 0.0 {0.442356 0.638913 0.679642} H15 1961 -1 1 {} H 0.0 {0.363576 0.313348 0.342986} H16 1962 -1 1 {} H 0.0 {0.376966 0.322641 0.35085} H17 1963 -1 1 {} H 0.0 {0.364451 0.315916 0.361238} H18 1964 -1 1 {} H 0.0 {0.489137 0.674268 0.262984} H19 1965 -1 1 {} H 0.0 {0.516876 0.656571 0.299877} H20 1966 -1 1 {} H 0.0 {0.523082 0.67221 0.301481} H21 1967 -1 1 {} H 0.0 {0.50436 0.646142 0.278423} H22 1968 -1 14 {} Si 0.0 {0.567607 0.315732 0.421901} Si1 1969 -1 8 {} O 0.0 {0.582402 0.313699 0.426953} O1 1970 -1 14 {} Si 0.0 {0.556921 0.29887 0.444675} Si2 1971 -1 8 {} O 0.0 {0.542775 0.304575 0.445309} O2 1972 -1 14 {} Si 0.0 {0.539007 0.67356 0.485426} Si3 1973 -1 7 {} N 0.0 {0.543874 0.680464 0.470627} N1 1974 -1 14 {} Si 0.0 {0.547038 0.67999 0.45432} Si4 1975 -1 14 {} Si 0.0 {0.550774 0.694453 0.475188} Si5 1976 -1 7 {} N 0.0 {0.553311 0.695882 0.444899} N2 1977 -1 7 {} N 0.0 {0.529661 0.676426 0.445749} N3 1978 -1 7 {} N 0.0 {0.555563 0.663509 0.449732} N4 1979 -1 7 {} N 0.0 {0.542248 0.710746 0.469666} N5 1980 -1 7 {} N 0.0 {0.46656 0.329745 0.471137} N6 1981 -1 7 {} N 0.0 {0.475014 0.286361 0.45608} N7 1982 -1 8 {} O 0.0 {0.561 0.30383 0.431029} O3 1983 -1 6 {} C 0.0 {0.564209 0.315696 0.40246} C1 1984 -1 8 {} O 0.0 {0.564158 0.328288 0.431658} O4 1985 -1 7 {} N 0.0 {0.519752 0.672993 0.485499} N8 1986 -1 8 {} O 0.0 {0.54531 0.677837 0.499378} O5 1987 -1 1 {} H 0.0 {0.390472 0.692329 0.370027} H1 1988 -1 1 {} H 0.0 {0.563595 0.690995 0.495326} H2 1989 -1 1 {} H 0.0 {0.545392 0.697989 0.439602} H3 1990 -1 1 {} H 0.0 {0.559396 0.691322 0.438415} H4 1991 -1 1 {} H 0.0 {0.523117 0.681533 0.451239} H5 1992 -1 1 {} H 0.0 {0.528842 0.66691 0.448828} H6 1993 -1 1 {} H 0.0 {0.554791 0.657856 0.457726} H7 1994 -1 1 {} H 0.0 {0.548943 0.66009 0.443001} H8 1995 -1 1 {} H 0.0 {0.543597 0.710115 0.459725} H9 1996 -1 1 {} H 0.0 {0.532875 0.707676 0.472288} H10 1997 -1 1 {} H 0.0 {0.46819 0.319954 0.468902} H11 1998 -1 1 {} H 0.0 {0.470694 0.335203 0.463813} H12 1999 -1 1 {} H 0.0 {0.47179 0.289205 0.44684} H13 2000 -1 1 {} H 0.0 {0.485219 0.286712 0.454527} H14 2001 -1 1 {} H 0.0 {0.455944 0.331618 0.469126} H15 2002 -1 1 {} H 0.0 {0.561127 0.305411 0.399176} H16 2003 -1 1 {} H 0.0 {0.573247 0.319408 0.397358} H17 2004 -1 1 {} H 0.0 {0.55559 0.322087 0.401367} H18 2005 -1 1 {} H 0.0 {0.559825 0.325816 0.439743} H19 2006 -1 1 {} H 0.0 {0.516961 0.679354 0.478059} H20 2007 -1 1 {} H 0.0 {0.516666 0.664072 0.482718} H21 2008 -1 1 {} H 0.0 {0.548899 0.670548 0.504304} H22 2009 -1 14 {} Si 0.0 {0.704623 0.557925 0.593744} Si1 2010 -1 8 {} O 0.0 {0.658755 0.478922 0.531605} O1 2011 -1 14 {} Si 0.0 {0.655494 0.474565 0.546471} Si2 2012 -1 8 {} O 0.0 {0.605009 0.418472 0.656761} O2 2013 -1 14 {} Si 0.0 {0.628505 0.423417 0.657644} Si3 2014 -1 7 {} N 0.0 {0.641379 0.415752 0.652318} N1 2015 -1 14 {} Si 0.0 {0.646548 0.418186 0.637573} Si4 2016 -1 14 {} Si 0.0 {0.60825 0.426303 0.643873} Si5 2017 -1 7 {} N 0.0 {0.647108 0.400672 0.628485} N2 2018 -1 7 {} N 0.0 {0.665583 0.421252 0.639995} N3 2019 -1 7 {} N 0.0 {0.642863 0.436363 0.633295} N4 2020 -1 7 {} N 0.0 {0.596934 0.440126 0.637849} N5 2021 -1 7 {} N 0.0 {0.598801 0.468812 0.596101} N6 2022 -1 7 {} N 0.0 {0.554657 0.382778 0.556074} N7 2023 -1 8 {} O 0.0 {0.699728 0.289839 0.575295} O3 2024 -1 6 {} C 0.0 {0.694188 0.558523 0.60706} C1 2025 -1 8 {} O 0.0 {0.701898 0.546906 0.617835} O4 2026 -1 7 {} N 0.0 {0.552079 0.487298 0.631271} N8 2027 -1 8 {} O 0.0 {0.679481 0.409388 0.558342} O5 2028 -1 1 {} H 0.0 {0.616365 0.440733 0.6493} H1 2029 -1 1 {} H 0.0 {0.670671 0.534005 0.504629} H2 2030 -1 1 {} H 0.0 {0.64808 0.393576 0.621026} H3 2031 -1 1 {} H 0.0 {0.645064 0.395049 0.636608} H4 2032 -1 1 {} H 0.0 {0.665686 0.431609 0.639388} H5 2033 -1 1 {} H 0.0 {0.66739 0.419624 0.649925} H6 2034 -1 1 {} H 0.0 {0.632679 0.435135 0.630657} H7 2035 -1 1 {} H 0.0 {0.647318 0.435368 0.624028} H8 2036 -1 1 {} H 0.0 {0.592275 0.444726 0.64557} H9 2037 -1 1 {} H 0.0 {0.589138 0.435345 0.632984} H10 2038 -1 1 {} H 0.0 {0.588817 0.4707 0.595254} H11 2039 -1 1 {} H 0.0 {0.602633 0.477258 0.599846} H12 2040 -1 1 {} H 0.0 {0.544449 0.383225 0.557482} H13 2041 -1 1 {} H 0.0 {0.557624 0.388919 0.547907} H14 2042 -1 1 {} H 0.0 {0.702402 0.440076 0.436914} H15 2043 -1 1 {} H 0.0 {0.683999 0.554226 0.605586} H16 2044 -1 1 {} H 0.0 {0.693027 0.567834 0.611863} H17 2045 -1 1 {} H 0.0 {0.696926 0.55574 0.579326} H18 2046 -1 1 {} H 0.0 {0.69395 0.54435 0.623473} H19 2047 -1 1 {} H 0.0 {0.550591 0.491073 0.622198} H20 2048 -1 1 {} H 0.0 {0.543463 0.488103 0.637027} H21 2049 -1 1 {} H 0.0 {0.662667 0.36648 0.557852} H22 2050 -1 14 {} Si 0.0 {0.648311 0.320757 0.477153} Si1 2051 -1 8 {} O 0.0 {0.636609 0.320478 0.467623} O1 2052 -1 14 {} Si 0.0 {0.628693 0.316541 0.454344} Si2 2053 -1 8 {} O 0.0 {0.613925 0.315908 0.460424} O2 2054 -1 14 {} Si 0.0 {0.604672 0.314699 0.473153} Si3 2055 -1 7 {} N 0.0 {0.590184 0.306471 0.472762} N1 2056 -1 14 {} Si 0.0 {0.575972 0.310725 0.486277} Si4 2057 -1 14 {} Si 0.0 {0.585572 0.291114 0.462733} Si5 2058 -1 7 {} N 0.0 {0.563464 0.318899 0.479904} N2 2059 -1 7 {} N 0.0 {0.580368 0.323121 0.500659} N3 2060 -1 7 {} N 0.0 {0.571566 0.296461 0.4924} N4 2061 -1 7 {} N 0.0 {0.588041 0.277337 0.470351} N5 2062 -1 7 {} N 0.0 {0.56588 0.29466 0.457244} N6 2063 -1 7 {} N 0.0 {0.596212 0.288782 0.445615} N7 2064 -1 8 {} O 0.0 {0.643616 0.30944 0.48775} O3 2065 -1 6 {} C 0.0 {0.668114 0.330903 0.471117} C1 2066 -1 8 {} O 0.0 {0.661897 0.305727 0.46887} O4 2067 -1 7 {} N 0.0 {0.601191 0.333782 0.477811} N8 2068 -1 8 {} O 0.0 {0.615422 0.308623 0.484493} O5 2069 -1 1 {} H 0.0 {0.630552 0.299818 0.451469} H1 2070 -1 1 {} H 0.0 {0.627667 0.330385 0.444246} H2 2071 -1 1 {} H 0.0 {0.567781 0.327825 0.478072} H3 2072 -1 1 {} H 0.0 {0.537781 0.577544 0.661518} H4 2073 -1 1 {} H 0.0 {0.589473 0.319114 0.503606} H5 2074 -1 1 {} H 0.0 {0.573648 0.320371 0.507857} H6 2075 -1 1 {} H 0.0 {0.646022 0.264172 0.316655} H7 2076 -1 1 {} H 0.0 {0.574788 0.287619 0.488042} H8 2077 -1 1 {} H 0.0 {0.64248 0.265904 0.322823} H9 2078 -1 1 {} H 0.0 {0.497848 0.65437 0.556687} H10 2079 -1 1 {} H 0.0 {0.562615 0.296013 0.467408} H11 2080 -1 1 {} H 0.0 {0.610314 0.687992 0.470397} H12 2081 -1 1 {} H 0.0 {0.603992 0.295411 0.4469} H13 2082 -1 1 {} H 0.0 {0.590291 0.293612 0.438896} H14 2083 -1 1 {} H 0.0 {0.64572 0.312401 0.496932} H15 2084 -1 1 {} H 0.0 {0.667693 0.341217 0.474119} H16 2085 -1 1 {} H 0.0 {0.669333 0.330532 0.461013} H17 2086 -1 1 {} H 0.0 {0.674288 0.324131 0.476687} H18 2087 -1 1 {} H 0.0 {0.655608 0.303205 0.461775} H19 2088 -1 1 {} H 0.0 {0.610806 0.336046 0.480116} H20 2089 -1 1 {} H 0.0 {0.596953 0.33026 0.485778} H21 2090 -1 1 {} H 0.0 {0.624473 0.309926 0.481226} H22 2091 -1 14 {} Si 0.0 {0.562043 0.594993 0.656636} Si1 2092 -1 8 {} O 0.0 {0.557429 0.580155 0.65448} O1 2093 -1 14 {} Si 0.0 {0.556371 0.564519 0.656228} Si2 2094 -1 8 {} O 0.0 {0.542984 0.561444 0.6471} O2 2095 -1 14 {} Si 0.0 {0.53124 0.552245 0.644246} Si3 2096 -1 7 {} N 0.0 {0.529041 0.545536 0.625483} N1 2097 -1 14 {} Si 0.0 {0.539285 0.555019 0.618158} Si4 2098 -1 14 {} Si 0.0 {0.52707 0.532191 0.616295} Si5 2099 -1 7 {} N 0.0 {0.529189 0.566819 0.604392} N2 2100 -1 7 {} N 0.0 {0.558559 0.549296 0.617263} N3 2101 -1 7 {} N 0.0 {0.583462 0.576578 0.633208} N4 2102 -1 7 {} N 0.0 {0.532902 0.51627 0.626955} N5 2103 -1 7 {} N 0.0 {0.508093 0.529481 0.611481} N6 2104 -1 7 {} N 0.0 {0.537802 0.530574 0.599592} N7 2105 -1 8 {} O 0.0 {0.550034 0.598175 0.666753} O3 2106 -1 6 {} C 0.0 {0.588899 0.597598 0.66018} C1 2107 -1 8 {} O 0.0 {0.573742 0.592931 0.66642} O4 2108 -1 7 {} N 0.0 {0.514396 0.562467 0.650199} N8 2109 -1 8 {} O 0.0 {0.537345 0.539251 0.6501} O5 2110 -1 1 {} H 0.0 {0.591279 0.577702 0.639858} H1 2111 -1 1 {} H 0.0 {0.553273 0.561709 0.670243} H2 2112 -1 1 {} H 0.0 {0.521247 0.568339 0.610593} H3 2113 -1 1 {} H 0.0 {0.536244 0.574584 0.604936} H4 2114 -1 1 {} H 0.0 {0.555686 0.539089 0.61792} H5 2115 -1 1 {} H 0.0 {0.561355 0.551634 0.626448} H6 2116 -1 1 {} H 0.0 {0.575256 0.573454 0.63837} H7 2117 -1 1 {} H 0.0 {0.586238 0.568231 0.627827} H8 2118 -1 1 {} H 0.0 {0.537157 0.510588 0.619912} H9 2119 -1 1 {} H 0.0 {0.523217 0.513241 0.627367} H10 2120 -1 1 {} H 0.0 {0.505149 0.537708 0.615288} H11 2121 -1 1 {} H 0.0 {0.509435 0.528359 0.601704} H12 2122 -1 1 {} H 0.0 {0.546563 0.535844 0.600854} H13 2123 -1 1 {} H 0.0 {0.540594 0.520697 0.600163} H14 2124 -1 1 {} H 0.0 {0.551483 0.59533 0.675977} H15 2125 -1 1 {} H 0.0 {0.591136 0.605827 0.666425} H16 2126 -1 1 {} H 0.0 {0.591467 0.599696 0.649447} H17 2127 -1 1 {} H 0.0 {0.59439 0.589705 0.662902} H18 2128 -1 1 {} H 0.0 {0.52791 0.630054 0.684924} H19 2129 -1 1 {} H 0.0 {0.513244 0.569509 0.643761} H20 2130 -1 1 {} H 0.0 {0.506706 0.555469 0.647194} H21 2131 -1 1 {} H 0.0 {0.539042 0.531606 0.643158} H22 2132 -1 14 {} Si 0.0 {0.506404 0.620307 0.599217} Si1 2133 -1 8 {} O 0.0 {0.502332 0.634043 0.605083} O1 2134 -1 14 {} Si 0.0 {0.50906 0.647153 0.600099} Si2 2135 -1 8 {} O 0.0 {0.5239 0.642098 0.600892} O2 2136 -1 14 {} Si 0.0 {0.534614 0.632046 0.594951} Si3 2137 -1 7 {} N 0.0 {0.548587 0.62492 0.607151} N1 2138 -1 14 {} Si 0.0 {0.564552 0.617007 0.598661} Si4 2139 -1 14 {} Si 0.0 {0.555361 0.614229 0.622948} Si5 2140 -1 7 {} N 0.0 {0.578308 0.605488 0.601266} N2 2141 -1 7 {} N 0.0 {0.572665 0.630679 0.592542} N3 2142 -1 7 {} N 0.0 {0.554684 0.608547 0.583245} N4 2143 -1 7 {} N 0.0 {0.571026 0.625094 0.625506} N5 2144 -1 7 {} N 0.0 {0.541016 0.619183 0.634121} N6 2145 -1 7 {} N 0.0 {0.549886 0.597447 0.614743} N7 2146 -1 8 {} O 0.0 {0.511108 0.610506 0.618208} O3 2147 -1 6 {} C 0.0 {0.503858 0.608982 0.578128} C1 2148 -1 8 {} O 0.0 {0.496602 0.621468 0.588012} O4 2149 -1 7 {} N 0.0 {0.543712 0.643154 0.582571} N8 2150 -1 8 {} O 0.0 {0.525888 0.620693 0.587423} O5 2151 -1 1 {} H 0.0 {0.706761 0.683156 0.561658} H1 2152 -1 1 {} H 0.0 {0.563043 0.666312 0.612676} H2 2153 -1 1 {} H 0.0 {0.574508 0.599356 0.60851} H3 2154 -1 1 {} H 0.0 {0.578684 0.60024 0.592395} H4 2155 -1 1 {} H 0.0 {0.572727 0.637146 0.600496} H5 2156 -1 1 {} H 0.0 {0.582915 0.628309 0.591465} H6 2157 -1 1 {} H 0.0 {0.561689 0.608317 0.576567} H7 2158 -1 1 {} H 0.0 {0.548535 0.61661 0.581191} H8 2159 -1 1 {} H 0.0 {0.577933 0.617685 0.625287} H9 2160 -1 1 {} H 0.0 {0.571441 0.629841 0.61644} H10 2161 -1 1 {} H 0.0 {0.533305 0.617594 0.627103} H11 2162 -1 1 {} H 0.0 {0.541555 0.611432 0.640556} H12 2163 -1 1 {} H 0.0 {0.540816 0.596827 0.61932} H13 2164 -1 1 {} H 0.0 {0.548452 0.599576 0.605049} H14 2165 -1 1 {} H 0.0 {0.511168 0.600425 0.616132} H15 2166 -1 1 {} H 0.0 {0.51019 0.614189 0.570796} H16 2167 -1 1 {} H 0.0 {0.494857 0.604799 0.574244} H17 2168 -1 1 {} H 0.0 {0.509249 0.59983 0.580891} H18 2169 -1 1 {} H 0.0 {0.491325 0.630831 0.57588} H19 2170 -1 1 {} H 0.0 {0.553453 0.642757 0.584737} H20 2171 -1 1 {} H 0.0 {0.54096 0.652187 0.585971} H21 2172 -1 1 {} H 0.0 {0.531283 0.61219 0.589263} H22 2173 -1 14 {} Si 0.0 {0.581713 0.63131 0.451813} Si1 2174 -1 8 {} O 0.0 {0.570922 0.613444 0.444322} O1 2175 -1 14 {} Si 0.0 {0.559032 0.618688 0.43528} Si2 2176 -1 8 {} O 0.0 {0.562784 0.631646 0.427377} O2 2177 -1 14 {} Si 0.0 {0.564475 0.641502 0.415598} Si3 2178 -1 7 {} N 0.0 {0.582511 0.641971 0.408586} N1 2179 -1 14 {} Si 0.0 {0.583224 0.627095 0.402158} Si4 2180 -1 14 {} Si 0.0 {0.596778 0.649856 0.407352} Si5 2181 -1 7 {} N 0.0 {0.598764 0.626733 0.390381} N2 2182 -1 7 {} N 0.0 {0.571244 0.624871 0.387605} N3 2183 -1 7 {} N 0.0 {0.583367 0.611721 0.414078} N4 2184 -1 7 {} N 0.0 {0.600037 0.662255 0.391308} N5 2185 -1 7 {} N 0.0 {0.595901 0.663113 0.420368} N6 2186 -1 7 {} N 0.0 {0.613341 0.641476 0.411874} N7 2187 -1 8 {} O 0.0 {0.573256 0.628878 0.465047} O3 2188 -1 6 {} C 0.0 {0.583753 0.646465 0.443864} C1 2189 -1 8 {} O 0.0 {0.593497 0.621709 0.456026} O4 2190 -1 7 {} N 0.0 {0.560857 0.661864 0.41861} N8 2191 -1 8 {} O 0.0 {0.553422 0.637105 0.404835} O5 2192 -1 1 {} H 0.0 {0.545765 0.622143 0.444707} H1 2193 -1 1 {} H 0.0 {0.553068 0.607276 0.425465} H2 2194 -1 1 {} H 0.0 {0.598104 0.616266 0.389244} H3 2195 -1 1 {} H 0.0 {0.606398 0.627425 0.397412} H4 2196 -1 1 {} H 0.0 {0.576045 0.630786 0.381514} H5 2197 -1 1 {} H 0.0 {0.562498 0.630037 0.389776} H6 2198 -1 1 {} H 0.0 {0.57669 0.605458 0.409429} H7 2199 -1 1 {} H 0.0 {0.578295 0.615466 0.421754} H8 2200 -1 1 {} H 0.0 {0.598419 0.656244 0.383578} H9 2201 -1 1 {} H 0.0 {0.59225 0.668547 0.392983} H10 2202 -1 1 {} H 0.0 {0.585819 0.664889 0.419882} H11 2203 -1 1 {} H 0.0 {0.599587 0.671532 0.416491} H12 2204 -1 1 {} H 0.0 {0.611007 0.637969 0.421407} H13 2205 -1 1 {} H 0.0 {0.619745 0.648553 0.415498} H14 2206 -1 1 {} H 0.0 {0.566914 0.621454 0.462982} H15 2207 -1 1 {} H 0.0 {0.589546 0.644342 0.43515} H16 2208 -1 1 {} H 0.0 {0.591581 0.656458 0.45535} H17 2209 -1 1 {} H 0.0 {0.574079 0.65007 0.441026} H18 2210 -1 1 {} H 0.0 {0.593912 0.613881 0.450885} H19 2211 -1 1 {} H 0.0 {0.550582 0.66292 0.41797} H20 2212 -1 1 {} H 0.0 {0.563834 0.662475 0.428346} H21 2213 -1 1 {} H 0.0 {0.546838 0.644502 0.403235} H22 2214 -1 14 {} Si 0.0 {0.683902 0.639161 0.494358} Si1 2215 -1 8 {} O 0.0 {0.681111 0.631708 0.508117} O1 2216 -1 14 {} Si 0.0 {0.325155 0.593868 0.476187} Si2 2217 -1 8 {} O 0.0 {0.337775 0.584565 0.476531} O2 2218 -1 14 {} Si 0.0 {0.350807 0.577853 0.472162} Si3 2219 -1 7 {} N 0.0 {0.356946 0.584489 0.454356} N1 2220 -1 14 {} Si 0.0 {0.360986 0.577672 0.43998} Si4 2221 -1 14 {} Si 0.0 {0.362787 0.600066 0.454783} Si5 2222 -1 7 {} N 0.0 {0.354571 0.55965 0.436392} N2 2223 -1 7 {} N 0.0 {0.377643 0.576322 0.436677} N3 2224 -1 7 {} N 0.0 {0.350986 0.587189 0.42545} N4 2225 -1 7 {} N 0.0 {0.371595 0.606335 0.438827} N5 2226 -1 7 {} N 0.0 {0.347547 0.613269 0.459887} N6 2227 -1 7 {} N 0.0 {0.374943 0.603945 0.469641} N7 2228 -1 8 {} O 0.0 {0.673209 0.660255 0.49034} O3 2229 -1 6 {} C 0.0 {0.67225 0.644041 0.483155} C1 2230 -1 8 {} O 0.0 {0.69948 0.636618 0.492718} O4 2231 -1 7 {} N 0.0 {0.352215 0.558979 0.469641} N8 2232 -1 8 {} O 0.0 {0.358096 0.582987 0.484974} O5 2233 -1 1 {} H 0.0 {0.315475 0.584843 0.483067} H1 2234 -1 1 {} H 0.0 {0.68252 0.638863 0.514862} H2 2235 -1 1 {} H 0.0 {0.362387 0.557357 0.430503} H3 2236 -1 1 {} H 0.0 {0.347676 0.562664 0.429489} H4 2237 -1 1 {} H 0.0 {0.380529 0.56944 0.429676} H5 2238 -1 1 {} H 0.0 {0.382158 0.576621 0.446268} H6 2239 -1 1 {} H 0.0 {0.343759 0.580572 0.422536} H7 2240 -1 1 {} H 0.0 {0.346463 0.593874 0.431373} H8 2241 -1 1 {} H 0.0 {0.381641 0.60451 0.441516} H9 2242 -1 1 {} H 0.0 {0.368968 0.598909 0.432836} H10 2243 -1 1 {} H 0.0 {0.340234 0.605877 0.46268} H11 2244 -1 1 {} H 0.0 {0.351208 0.616711 0.468687} H12 2245 -1 1 {} H 0.0 {0.381764 0.596187 0.469144} H13 2246 -1 1 {} H 0.0 {0.378658 0.612143 0.464814} H14 2247 -1 1 {} H 0.0 {0.666835 0.659259 0.497667} H15 2248 -1 1 {} H 0.0 {0.662563 0.639545 0.484431} H16 2249 -1 1 {} H 0.0 {0.700602 0.603727 0.513068} H17 2250 -1 1 {} H 0.0 {0.677076 0.643475 0.473386} H18 2251 -1 1 {} H 0.0 {0.700727 0.627491 0.490135} H19 2252 -1 1 {} H 0.0 {0.342098 0.556664 0.472061} H20 2253 -1 1 {} H 0.0 {0.352357 0.55914 0.459534} H21 2254 -1 1 {} H 0.0 {0.363614 0.59075 0.482396} H22 2255 -1 14 {} Si 0.0 {0.456097 0.387118 0.638259} Si1 2256 -1 8 {} O 0.0 {0.47488 0.379107 0.63824} O1 2257 -1 14 {} Si 0.0 {0.492305 0.368462 0.613418} Si2 2258 -1 8 {} O 0.0 {0.490662 0.366848 0.628174} O2 2259 -1 14 {} Si 0.0 {0.489944 0.375327 0.641116} Si3 2260 -1 7 {} N 0.0 {0.49488 0.355276 0.687157} N1 2261 -1 14 {} Si 0.0 {0.49224 0.348973 0.672705} Si4 2262 -1 14 {} Si 0.0 {0.507688 0.364201 0.690243} Si5 2263 -1 7 {} N 0.0 {0.477131 0.336476 0.673936} N2 2264 -1 7 {} N 0.0 {0.50752 0.340036 0.66518} N3 2265 -1 7 {} N 0.0 {0.487832 0.362967 0.658454} N4 2266 -1 7 {} N 0.0 {0.520918 0.353233 0.69648} N5 2267 -1 7 {} N 0.0 {0.516131 0.37324 0.675622} N6 2268 -1 7 {} N 0.0 {0.503495 0.376543 0.701621} N7 2269 -1 8 {} O 0.0 {0.450999 0.391097 0.624085} O3 2270 -1 6 {} C 0.0 {0.469781 0.392996 0.648117} C1 2271 -1 8 {} O 0.0 {0.444987 0.376237 0.642293} O4 2272 -1 7 {} N 0.0 {0.504249 0.385122 0.647506} N8 2273 -1 8 {} O 0.0 {0.321275 0.302256 0.609978} O5 2274 -1 1 {} H 0.0 {0.487656 0.382767 0.595518} H1 2275 -1 1 {} H 0.0 {0.500969 0.358109 0.609255} H2 2276 -1 1 {} H 0.0 {0.470748 0.343043 0.678638} H3 2277 -1 1 {} H 0.0 {0.480825 0.330064 0.680855} H4 2278 -1 1 {} H 0.0 {0.502995 0.335991 0.657208} H5 2279 -1 1 {} H 0.0 {0.511416 0.349049 0.662681} H6 2280 -1 1 {} H 0.0 {0.48834 0.371051 0.663888} H7 2281 -1 1 {} H 0.0 {0.478307 0.361297 0.656186} H8 2282 -1 1 {} H 0.0 {0.526324 0.359326 0.702781} H9 2283 -1 1 {} H 0.0 {0.527262 0.351917 0.68852} H10 2284 -1 1 {} H 0.0 {0.513537 0.366712 0.668094} H11 2285 -1 1 {} H 0.0 {0.526034 0.372779 0.676155} H12 2286 -1 1 {} H 0.0 {0.506703 0.385233 0.697522} H13 2287 -1 1 {} H 0.0 {0.493241 0.379364 0.702946} H14 2288 -1 1 {} H 0.0 {0.453311 0.384538 0.616647} H15 2289 -1 1 {} H 0.0 {0.473061 0.402787 0.646022} H16 2290 -1 1 {} H 0.0 {0.468339 0.391605 0.658673} H17 2291 -1 1 {} H 0.0 {0.43946 0.360838 0.632743} H18 2292 -1 1 {} H 0.0 {0.44475 0.375288 0.65221} H19 2293 -1 1 {} H 0.0 {0.505673 0.380379 0.656195} H20 2294 -1 1 {} H 0.0 {0.511877 0.38177 0.641564} H21 2295 -1 1 {} H 0.0 {0.330664 0.30335 0.613263} H22 2296 -1 14 {} Si 0.0 {0.654698 0.558139 0.421955} Si1 2297 -1 8 {} O 0.0 {0.651134 0.541724 0.421875} O1 2298 -1 14 {} Si 0.0 {0.643886 0.529649 0.412814} Si2 2299 -1 8 {} O 0.0 {0.638979 0.518061 0.422723} O2 2300 -1 14 {} Si 0.0 {0.638389 0.513073 0.437752} Si3 2301 -1 7 {} N 0.0 {0.651213 0.502136 0.447081} N1 2302 -1 14 {} Si 0.0 {0.648129 0.496977 0.462062} Si4 2303 -1 14 {} Si 0.0 {0.664075 0.496353 0.439248} Si5 2304 -1 7 {} N 0.0 {0.664255 0.493593 0.472577} N2 2305 -1 7 {} N 0.0 {0.63693 0.481596 0.463215} N3 2306 -1 7 {} N 0.0 {0.638747 0.511863 0.470593} N4 2307 -1 7 {} N 0.0 {0.66394 0.500698 0.418614} N5 2308 -1 7 {} N 0.0 {0.681939 0.499405 0.447053} N6 2309 -1 7 {} N 0.0 {0.663024 0.476829 0.436876} N7 2310 -1 8 {} O 0.0 {0.649073 0.562918 0.436371} O3 2311 -1 6 {} C 0.0 {0.669667 0.564811 0.414541} C1 2312 -1 8 {} O 0.0 {0.654627 0.525745 0.401972} O4 2313 -1 7 {} N 0.0 {0.621696 0.504036 0.443324} N8 2314 -1 8 {} O 0.0 {0.639513 0.528028 0.444184} O5 2315 -1 1 {} H 0.0 {0.659188 0.542434 0.379641} H1 2316 -1 1 {} H 0.0 {0.63291 0.536089 0.404038} H2 2317 -1 1 {} H 0.0 {0.669611 0.485283 0.471183} H3 2318 -1 1 {} H 0.0 {0.659937 0.49263 0.481764} H4 2319 -1 1 {} H 0.0 {0.642501 0.473535 0.466318} H5 2320 -1 1 {} H 0.0 {0.630536 0.483593 0.471511} H6 2321 -1 1 {} H 0.0 {0.632576 0.515773 0.463479} H7 2322 -1 1 {} H 0.0 {0.646071 0.519066 0.471897} H8 2323 -1 1 {} H 0.0 {0.67214 0.506081 0.421025} H9 2324 -1 1 {} H 0.0 {0.65606 0.507196 0.420732} H10 2325 -1 1 {} H 0.0 {0.687814 0.495021 0.440347} H11 2326 -1 1 {} H 0.0 {0.681484 0.492369 0.454645} H12 2327 -1 1 {} H 0.0 {0.652718 0.476818 0.437891} H13 2328 -1 1 {} H 0.0 {0.666858 0.474319 0.446179} H14 2329 -1 1 {} H 0.0 {0.647011 0.572513 0.435688} H15 2330 -1 1 {} H 0.0 {0.676389 0.565216 0.422607} H16 2331 -1 1 {} H 0.0 {0.662174 0.585189 0.390087} H17 2332 -1 1 {} H 0.0 {0.672815 0.558567 0.406438} H18 2333 -1 1 {} H 0.0 {0.64774 0.458539 0.339479} H19 2334 -1 1 {} H 0.0 {0.615887 0.501306 0.435046} H20 2335 -1 1 {} H 0.0 {0.626354 0.495509 0.446347} H21 2336 -1 1 {} H 0.0 {0.643489 0.535162 0.437812} H22 2337 -1 14 {} Si 0.0 {0.390266 0.631378 0.638395} Si1 2338 -1 8 {} O 0.0 {0.398622 0.628593 0.651059} O1 2339 -1 14 {} Si 0.0 {0.399275 0.620256 0.663993} Si2 2340 -1 8 {} O 0.0 {0.38732 0.610854 0.666771} O2 2341 -1 14 {} Si 0.0 {0.349732 0.665097 0.308264} Si3 2342 -1 7 {} N 0.0 {0.337853 0.65339 0.313308} N1 2343 -1 14 {} Si 0.0 {0.335338 0.637308 0.313247} Si4 2344 -1 14 {} Si 0.0 {0.324737 0.660687 0.320297} Si5 2345 -1 7 {} N 0.0 {0.344316 0.630833 0.297647} N2 2346 -1 7 {} N 0.0 {0.317907 0.632129 0.311626} N3 2347 -1 7 {} N 0.0 {0.34343 0.628096 0.330544} N4 2348 -1 7 {} N 0.0 {0.319647 0.653033 0.337608} N5 2349 -1 7 {} N 0.0 {0.331462 0.679842 0.32398} N6 2350 -1 7 {} N 0.0 {0.308894 0.664361 0.309565} N7 2351 -1 8 {} O 0.0 {0.397486 0.615064 0.62688} O3 2352 -1 6 {} C 0.0 {0.391174 0.648717 0.631135} C1 2353 -1 8 {} O 0.0 {0.37763 0.624983 0.643618} O4 2354 -1 7 {} N 0.0 {0.353618 0.664761 0.289808} N8 2355 -1 8 {} O 0.0 {0.348245 0.679198 0.314545} O5 2356 -1 1 {} H 0.0 {0.400814 0.630371 0.67538} H1 2357 -1 1 {} H 0.0 {0.413145 0.612316 0.661818} H2 2358 -1 1 {} H 0.0 {0.337385 0.631487 0.290465} H3 2359 -1 1 {} H 0.0 {0.350723 0.638194 0.294707} H4 2360 -1 1 {} H 0.0 {0.316288 0.622088 0.309669} H5 2361 -1 1 {} H 0.0 {0.312432 0.634329 0.319672} H6 2362 -1 1 {} H 0.0 {0.34354 0.618544 0.326886} H7 2363 -1 1 {} H 0.0 {0.352714 0.632716 0.328516} H8 2364 -1 1 {} H 0.0 {0.323877 0.643477 0.337116} H9 2365 -1 1 {} H 0.0 {0.327224 0.283559 0.570163} H10 2366 -1 1 {} H 0.0 {0.331808 0.686103 0.332097} H11 2367 -1 1 {} H 0.0 {0.324674 0.684585 0.318386} H12 2368 -1 1 {} H 0.0 {0.302326 0.666078 0.31706} H13 2369 -1 1 {} H 0.0 {0.306635 0.655184 0.306462} H14 2370 -1 1 {} H 0.0 {0.39992 0.608767 0.634289} H15 2371 -1 1 {} H 0.0 {0.386466 0.655721 0.637514} H16 2372 -1 1 {} H 0.0 {0.387284 0.64843 0.621207} H17 2373 -1 1 {} H 0.0 {0.401313 0.652049 0.630513} H18 2374 -1 1 {} H 0.0 {0.370792 0.631736 0.646187} H19 2375 -1 1 {} H 0.0 {0.353137 0.673829 0.286182} H20 2376 -1 1 {} H 0.0 {0.345368 0.659281 0.28671} H21 2377 -1 1 {} H 0.0 {0.713238 0.397889 0.406861} H22 2378 -1 14 {} Si 0.0 {0.679994 0.509887 0.601426} Si1 2379 -1 8 {} O 0.0 {0.690956 0.519933 0.597526} O1 2380 -1 14 {} Si 0.0 {0.705055 0.524505 0.600369} Si2 2381 -1 8 {} O 0.0 {0.709728 0.512038 0.608441} O2 2382 -1 14 {} Si 0.0 {0.716734 0.500939 0.616394} Si3 2383 -1 7 {} N 0.0 {0.731719 0.495889 0.617694} N1 2384 -1 14 {} Si 0.0 {0.285906 0.447185 0.57317} Si4 2385 -1 14 {} Si 0.0 {0.295959 0.464692 0.565076} Si5 2386 -1 7 {} N 0.0 {0.416555 0.416023 0.280985} N2 2387 -1 7 {} N 0.0 {0.676061 0.54323 0.627171} N3 2388 -1 7 {} N 0.0 {0.325382 0.601475 0.592225} N4 2389 -1 7 {} N 0.0 {0.301497 0.473598 0.553019} N5 2390 -1 7 {} N 0.0 {0.593687 0.271815 0.558009} N6 2391 -1 7 {} N 0.0 {0.644049 0.300938 0.626052} N7 2392 -1 8 {} O 0.0 {0.35385 0.530786 0.541632} O3 2393 -1 6 {} C 0.0 {0.329077 0.548125 0.637146} C1 2394 -1 8 {} O 0.0 {0.683483 0.500166 0.584135} O4 2395 -1 7 {} N 0.0 {0.341685 0.517468 0.540281} N8 2396 -1 8 {} O 0.0 {0.662665 0.462511 0.602878} O5 2397 -1 1 {} H 0.0 {0.703325 0.538186 0.610777} H1 2398 -1 1 {} H 0.0 {0.712064 0.525376 0.588238} H2 2399 -1 1 {} H 0.0 {0.424416 0.420866 0.286057} H3 2400 -1 1 {} H 0.0 {0.412847 0.409054 0.287655} H4 2401 -1 1 {} H 0.0 {0.672288 0.537058 0.62021} H5 2402 -1 1 {} H 0.0 {0.318431 0.606349 0.597932} H6 2403 -1 1 {} H 0.0 {0.324049 0.604645 0.582589} H7 2404 -1 1 {} H 0.0 {0.334536 0.605706 0.595359} H8 2405 -1 1 {} H 0.0 {0.962726 0.32248 0.900247} H9 2406 -1 1 {} H 0.0 {0.298732 0.483291 0.550952} H10 2407 -1 1 {} H 0.0 {0.670353 0.602241 0.684975} H11 2408 -1 1 {} H 0.0 {0.603375 0.273328 0.554977} H12 2409 -1 1 {} H 0.0 {0.861721 0.517811 0.777184} H13 2410 -1 1 {} H 0.0 {0.637168 0.296499 0.620089} H14 2411 -1 1 {} H 0.0 {0.356615 0.532822 0.532374} H15 2412 -1 1 {} H 0.0 {0.31924 0.547588 0.6338} H16 2413 -1 1 {} H 0.0 {0.671224 0.551682 0.625769} H17 2414 -1 1 {} H 0.0 {0.331562 0.549503 0.646817} H18 2415 -1 1 {} H 0.0 {0.691272 0.505263 0.580401} H19 2416 -1 1 {} H 0.0 {0.712418 0.503118 0.630462} H20 2417 -1 1 {} H 0.0 {0.339888 0.514265 0.549679} H21 2418 -1 1 {} H 0.0 {0.659986 0.453195 0.602655} H22 2419 -1 14 {} Si 0.0 {0.482143 0.309374 0.632006} Si1 2420 -1 8 {} O 0.0 {0.474 0.322903 0.630072} O1 2421 -1 14 {} Si 0.0 {0.469488 0.337533 0.634428} Si2 2422 -1 8 {} O 0.0 {0.471172 0.34492 0.620779} O2 2423 -1 14 {} Si 0.0 {0.468607 0.35723 0.610594} Si3 2424 -1 7 {} N 0.0 {0.529285 0.680339 0.57753} N1 2425 -1 14 {} Si 0.0 {0.556838 0.692625 0.589877} Si4 2426 -1 14 {} Si 0.0 {0.519511 0.668844 0.57177} Si5 2427 -1 7 {} N 0.0 {0.570147 0.685445 0.598071} N2 2428 -1 7 {} N 0.0 {0.545796 0.699778 0.60053} N3 2429 -1 7 {} N 0.0 {0.544316 0.676987 0.583295} N4 2430 -1 7 {} N 0.0 {0.505019 0.657837 0.583764} N5 2431 -1 7 {} N 0.0 {0.619945 0.280953 0.616502} N6 2432 -1 7 {} N 0.0 {0.489118 0.354922 0.582553} N7 2433 -1 8 {} O 0.0 {0.468199 0.294507 0.631716} O3 2434 -1 6 {} C 0.0 {0.495718 0.306929 0.644566} C1 2435 -1 8 {} O 0.0 {0.484132 0.308672 0.616243} O4 2436 -1 7 {} N 0.0 {0.456958 0.367686 0.608546} N8 2437 -1 8 {} O 0.0 {0.473223 0.34921 0.59226} O5 2438 -1 1 {} H 0.0 {0.478883 0.343202 0.64262} H1 2439 -1 1 {} H 0.0 {0.227137 0.391741 0.688725} H2 2440 -1 1 {} H 0.0 {0.571941 0.676389 0.59301} H3 2441 -1 1 {} H 0.0 {0.568253 0.685178 0.608141} H4 2442 -1 1 {} H 0.0 {0.544249 0.70972 0.598479} H5 2443 -1 1 {} H 0.0 {0.536444 0.695319 0.599477} H6 2444 -1 1 {} H 0.0 {0.564851 0.681291 0.635874} H7 2445 -1 1 {} H 0.0 {0.5441 0.670018 0.591339} H8 2446 -1 1 {} H 0.0 {0.502586 0.649702 0.577012} H9 2447 -1 1 {} H 0.0 {0.496032 0.662695 0.584496} H10 2448 -1 1 {} H 0.0 {0.430567 0.682154 0.573851} H11 2449 -1 1 {} H 0.0 {0.624287 0.28459 0.607815} H12 2450 -1 1 {} H 0.0 {0.493795 0.362154 0.588565} H13 2451 -1 1 {} H 0.0 {0.495289 0.346858 0.581125} H14 2452 -1 1 {} H 0.0 {0.470617 0.290431 0.62246} H15 2453 -1 1 {} H 0.0 {0.504421 0.304949 0.63904} H16 2454 -1 1 {} H 0.0 {0.491768 0.297989 0.648788} H17 2455 -1 1 {} H 0.0 {0.497077 0.316473 0.649888} H18 2456 -1 1 {} H 0.0 {0.492215 0.313766 0.613853} H19 2457 -1 1 {} H 0.0 {0.549594 0.671468 0.576451} H20 2458 -1 1 {} H 0.0 {0.451013 0.36651 0.600094} H21 2459 -1 1 {} H 0.0 {0.465601 0.351208 0.587096} H22 2460 -1 14 {} Si 0.0 {0.554616 0.338259 0.660713} Si1 2461 -1 8 {} O 0.0 {0.564465 0.347095 0.652362} O1 2462 -1 14 {} Si 0.0 {0.578488 0.354159 0.652299} Si2 2463 -1 8 {} O 0.0 {0.582479 0.351585 0.667042} O2 2464 -1 14 {} Si 0.0 {0.625053 0.59753 0.674391} Si3 2465 -1 7 {} N 0.0 {0.617252 0.588122 0.683778} N1 2466 -1 14 {} Si 0.0 {0.569561 0.649474 0.294371} Si4 2467 -1 14 {} Si 0.0 {0.594884 0.315243 0.666015} Si5 2468 -1 7 {} N 0.0 {0.555665 0.323934 0.339246} N2 2469 -1 7 {} N 0.0 {0.569985 0.629768 0.291063} N3 2470 -1 7 {} N 0.0 {0.562906 0.651252 0.308695} N4 2471 -1 7 {} N 0.0 {0.593217 0.316978 0.681569} N5 2472 -1 7 {} N 0.0 {0.580555 0.30852 0.65582} N6 2473 -1 7 {} N 0.0 {0.549177 0.336793 0.333783} N7 2474 -1 8 {} O 0.0 {0.536738 0.345025 0.654606} O3 2475 -1 6 {} C 0.0 {0.557538 0.335609 0.679088} C1 2476 -1 8 {} O 0.0 {0.554839 0.325486 0.650327} O4 2477 -1 7 {} N 0.0 {0.54306 0.678111 0.621869} N8 2478 -1 8 {} O 0.0 {0.627378 0.614322 0.676571} O5 2479 -1 1 {} H 0.0 {0.557345 0.318508 0.597042} H1 2480 -1 1 {} H 0.0 {0.532888 0.678212 0.61948} H2 2481 -1 1 {} H 0.0 {0.484895 0.40053 0.298052} H3 2482 -1 1 {} H 0.0 {0.557561 0.31713 0.331453} H4 2483 -1 1 {} H 0.0 {0.579405 0.628509 0.286679} H5 2484 -1 1 {} H 0.0 {0.570539 0.626408 0.300966} H6 2485 -1 1 {} H 0.0 {0.442673 0.459639 0.670496} H7 2486 -1 1 {} H 0.0 {0.565211 0.645636 0.317029} H8 2487 -1 1 {} H 0.0 {0.56433 0.325377 0.344952} H9 2488 -1 1 {} H 0.0 {0.589615 0.326177 0.684416} H10 2489 -1 1 {} H 0.0 {0.583809 0.309827 0.64619} H11 2490 -1 1 {} H 0.0 {0.578429 0.298688 0.657865} H12 2491 -1 1 {} H 0.0 {0.562453 0.320027 0.652787} H13 2492 -1 1 {} H 0.0 {0.555745 0.341871 0.327242} H14 2493 -1 1 {} H 0.0 {0.530079 0.337626 0.656596} H15 2494 -1 1 {} H 0.0 {0.550183 0.328424 0.682555} H16 2495 -1 1 {} H 0.0 {0.555997 0.344483 0.684733} H17 2496 -1 1 {} H 0.0 {0.567914 0.332304 0.680043} H18 2497 -1 1 {} H 0.0 {0.541473 0.324309 0.635384} H19 2498 -1 1 {} H 0.0 {0.543617 0.685442 0.628771} H20 2499 -1 1 {} H 0.0 {0.548207 0.680516 0.613462} H21 2500 -1 1 {} H 0.0 {0.636682 0.616898 0.675436} H22 2501 -1 14 {} Si 0.0 {0.440679 0.294083 0.316698} Si1 2502 -1 8 {} O 0.0 {0.436393 0.309062 0.316287} O1 2503 -1 14 {} Si 0.0 {0.426108 0.318856 0.322073} Si2 2504 -1 8 {} O 0.0 {0.416958 0.311655 0.333369} O2 2505 -1 14 {} Si 0.0 {0.408905 0.299933 0.338773} Si3 2506 -1 7 {} N 0.0 {0.396171 0.303614 0.348641} N1 2507 -1 14 {} Si 0.0 {0.381314 0.299311 0.352475} Si4 2508 -1 14 {} Si 0.0 {0.531274 0.341624 0.624098} Si5 2509 -1 7 {} N 0.0 {0.524621 0.342573 0.551954} N2 2510 -1 7 {} N 0.0 {0.377846 0.297126 0.372428} N3 2511 -1 7 {} N 0.0 {0.375488 0.282399 0.344741} N4 2512 -1 7 {} N 0.0 {0.53468 0.322449 0.627797} N5 2513 -1 7 {} N 0.0 {0.51428 0.341065 0.615276} N6 2514 -1 7 {} N 0.0 {0.525777 0.681631 0.25191} N7 2515 -1 8 {} O 0.0 {0.386014 0.31156 0.319912} O3 2516 -1 6 {} C 0.0 {0.430395 0.280924 0.313776} C1 2517 -1 8 {} O 0.0 {0.452259 0.29584 0.327706} O4 2518 -1 7 {} N 0.0 {0.422168 0.291062 0.351515} N8 2519 -1 8 {} O 0.0 {0.407541 0.292126 0.324958} O5 2520 -1 1 {} H 0.0 {0.414744 0.321196 0.310084} H1 2521 -1 1 {} H 0.0 {0.43393 0.330463 0.326868} H2 2522 -1 1 {} H 0.0 {0.524743 0.349397 0.543855} H3 2523 -1 1 {} H 0.0 {0.528644 0.348024 0.560169} H4 2524 -1 1 {} H 0.0 {0.380011 0.286931 0.373342} H5 2525 -1 1 {} H 0.0 {0.386014 0.302271 0.376096} H6 2526 -1 1 {} H 0.0 {0.521027 0.230233 0.548748} H7 2527 -1 1 {} H 0.0 {0.37701 0.277352 0.353179} H8 2528 -1 1 {} H 0.0 {0.398431 0.6804 0.681083} H9 2529 -1 1 {} H 0.0 {0.539075 0.318419 0.619338} H10 2530 -1 1 {} H 0.0 {0.517056 0.335448 0.60758} H11 2531 -1 1 {} H 0.0 {0.508542 0.334852 0.62135} H12 2532 -1 1 {} H 0.0 {0.531025 0.688904 0.25614} H13 2533 -1 1 {} H 0.0 {0.525191 0.684129 0.242146} H14 2534 -1 1 {} H 0.0 {0.390485 0.312419 0.328527} H15 2535 -1 1 {} H 0.0 {0.426073 0.293176 0.639613} H16 2536 -1 1 {} H 0.0 {0.43326 0.274299 0.306229} H17 2537 -1 1 {} H 0.0 {0.422616 0.278696 0.320607} H18 2538 -1 1 {} H 0.0 {0.461218 0.299024 0.324451} H19 2539 -1 1 {} H 0.0 {0.414326 0.287363 0.356462} H20 2540 -1 1 {} H 0.0 {0.428431 0.283778 0.347485} H21 2541 -1 1 {} H 0.0 {0.401071 0.297154 0.319867} H22 2542 -1 14 {} Si 0.0 {0.600831 0.478307 0.47682} Si1 2543 -1 8 {} O 0.0 {0.595312 0.493002 0.471977} O1 2544 -1 14 {} Si 0.0 {0.598668 0.506562 0.465465} Si2 2545 -1 8 {} O 0.0 {0.601864 0.517189 0.476294} O2 2546 -1 14 {} Si 0.0 {0.608893 0.523814 0.488356} Si3 2547 -1 7 {} N 0.0 {0.598934 0.529093 0.504106} N1 2548 -1 14 {} Si 0.0 {0.587288 0.518352 0.509339} Si4 2549 -1 14 {} Si 0.0 {0.602009 0.53953 0.516863} Si5 2550 -1 7 {} N 0.0 {0.595431 0.501676 0.51761} N2 2551 -1 7 {} N 0.0 {0.577068 0.513399 0.493023} N3 2552 -1 7 {} N 0.0 {0.575361 0.526245 0.522561} N4 2553 -1 7 {} N 0.0 {0.619892 0.546609 0.515053} N5 2554 -1 7 {} N 0.0 {0.591303 0.555053 0.516594} N6 2555 -1 7 {} N 0.0 {0.601028 0.530983 0.534227} N7 2556 -1 8 {} O 0.0 {0.606104 0.476092 0.462112} O3 2557 -1 6 {} C 0.0 {0.589555 0.46669 0.486082} C1 2558 -1 8 {} O 0.0 {0.614858 0.48242 0.483906} O4 2559 -1 7 {} N 0.0 {0.61919 0.539102 0.484337} N8 2560 -1 8 {} O 0.0 {0.618617 0.511528 0.491654} O5 2561 -1 1 {} H 0.0 {0.587697 0.510909 0.456753} H1 2562 -1 1 {} H 0.0 {0.60968 0.504987 0.454629} H2 2563 -1 1 {} H 0.0 {0.603094 0.504419 0.524348} H3 2564 -1 1 {} H 0.0 {0.600811 0.497854 0.509981} H4 2565 -1 1 {} H 0.0 {0.584779 0.511879 0.486429} H5 2566 -1 1 {} H 0.0 {0.574483 0.503792 0.495282} H6 2567 -1 1 {} H 0.0 {0.566513 0.52469 0.519029} H7 2568 -1 1 {} H 0.0 {0.577369 0.535962 0.521158} H8 2569 -1 1 {} H 0.0 {0.62653 0.539356 0.513565} H9 2570 -1 1 {} H 0.0 {0.621047 0.549771 0.524961} H10 2571 -1 1 {} H 0.0 {0.585303 0.55447 0.524625} H11 2572 -1 1 {} H 0.0 {0.584711 0.552877 0.508648} H12 2573 -1 1 {} H 0.0 {0.599118 0.53808 0.541332} H13 2574 -1 1 {} H 0.0 {0.592402 0.525807 0.534114} H14 2575 -1 1 {} H 0.0 {0.615351 0.47946 0.462017} H15 2576 -1 1 {} H 0.0 {0.593165 0.457288 0.485936} H16 2577 -1 1 {} H 0.0 {0.579628 0.468577 0.48206} H17 2578 -1 1 {} H 0.0 {0.589678 0.469187 0.496559} H18 2579 -1 1 {} H 0.0 {0.613839 0.491445 0.48661} H19 2580 -1 1 {} H 0.0 {0.616394 0.541047 0.474848} H20 2581 -1 1 {} H 0.0 {0.61377 0.54621 0.489667} H21 2582 -1 1 {} H 0.0 {0.646818 0.53096 0.507376} H22 2583 -1 14 {} Si 0.0 {0.446342 0.685574 0.554176} Si1 2584 -1 8 {} O 0.0 {0.447668 0.692303 0.538397} O1 2585 -1 14 {} Si 0.0 {0.462566 0.688206 0.537813} Si2 2586 -1 8 {} O 0.0 {0.461887 0.682806 0.553814} O2 2587 -1 14 {} Si 0.0 {0.474546 0.642244 0.530899} Si3 2588 -1 7 {} N 0.0 {0.474614 0.654647 0.520994} N1 2589 -1 14 {} Si 0.0 {0.46039 0.663825 0.522081} Si4 2590 -1 14 {} Si 0.0 {0.489501 0.653807 0.512989} Si5 2591 -1 7 {} N 0.0 {0.456174 0.668545 0.501851} N2 2592 -1 7 {} N 0.0 {0.43948 0.700371 0.508576} N3 2593 -1 7 {} N 0.0 {0.445335 0.653778 0.528655} N4 2594 -1 7 {} N 0.0 {0.50405 0.663133 0.5213} N5 2595 -1 7 {} N 0.0 {0.495547 0.636221 0.508764} N6 2596 -1 7 {} N 0.0 {0.488914 0.660808 0.495428} N7 2597 -1 8 {} O 0.0 {0.391267 0.703163 0.646343} O3 2598 -1 6 {} C 0.0 {0.453604 0.638821 0.586095} C1 2599 -1 8 {} O 0.0 {0.441086 0.665082 0.556531} O4 2600 -1 7 {} N 0.0 {0.524309 0.61104 0.550759} N8 2601 -1 8 {} O 0.0 {0.536819 0.66228 0.530012} O5 2602 -1 1 {} H 0.0 {0.390047 0.609123 0.543059} H1 2603 -1 1 {} H 0.0 {0.461834 0.676926 0.53031} H2 2604 -1 1 {} H 0.0 {0.465634 0.668335 0.497284} H3 2605 -1 1 {} H 0.0 {0.453871 0.6785 0.503356} H4 2606 -1 1 {} H 0.0 {0.435961 0.691044 0.506664} H5 2607 -1 1 {} H 0.0 {0.443035 0.700232 0.518619} H6 2608 -1 1 {} H 0.0 {0.437804 0.659637 0.525464} H7 2609 -1 1 {} H 0.0 {0.445883 0.646714 0.521297} H8 2610 -1 1 {} H 0.0 {0.510744 0.663439 0.514067} H9 2611 -1 1 {} H 0.0 {0.506955 0.656262 0.52814} H10 2612 -1 1 {} H 0.0 {0.49963 0.633547 0.517671} H11 2613 -1 1 {} H 0.0 {0.487767 0.630049 0.506468} H12 2614 -1 1 {} H 0.0 {0.496138 0.655419 0.490992} H13 2615 -1 1 {} H 0.0 {0.493892 0.669336 0.497171} H14 2616 -1 1 {} H 0.0 {0.586097 0.672171 0.547226} H15 2617 -1 1 {} H 0.0 {0.716356 0.490942 0.544949} H16 2618 -1 1 {} H 0.0 {0.454727 0.628535 0.586919} H17 2619 -1 1 {} H 0.0 {0.720133 0.496683 0.542117} H18 2620 -1 1 {} H 0.0 {0.443126 0.661218 0.547509} H19 2621 -1 1 {} H 0.0 {0.533395 0.61355 0.546944} H20 2622 -1 1 {} H 0.0 {0.52247 0.601366 0.548842} H21 2623 -1 1 {} H 0.0 {0.527879 0.664053 0.531757} H22 2624 -1 14 {} Si 0.0 {0.348014 0.68205 0.390191} Si1 2625 -1 8 {} O 0.0 {0.335059 0.673507 0.392585} O1 2626 -1 14 {} Si 0.0 {0.325374 0.666326 0.381002} Si2 2627 -1 8 {} O 0.0 {0.336437 0.655894 0.374734} O2 2628 -1 14 {} Si 0.0 {0.349462 0.665394 0.361333} Si3 2629 -1 7 {} N 0.0 {0.301022 0.331138 0.389313} N1 2630 -1 14 {} Si 0.0 {0.310006 0.338203 0.400694} Si4 2631 -1 14 {} Si 0.0 {0.286683 0.33488 0.383456} Si5 2632 -1 7 {} N 0.0 {0.304271 0.35715 0.401584} N2 2633 -1 7 {} N 0.0 {0.328686 0.340784 0.393698} N3 2634 -1 7 {} N 0.0 {0.30661 0.334196 0.419221} N4 2635 -1 7 {} N 0.0 {0.274794 0.345514 0.394005} N5 2636 -1 7 {} N 0.0 {0.290438 0.345771 0.367957} N6 2637 -1 7 {} N 0.0 {0.27862 0.319074 0.378062} N7 2638 -1 8 {} O 0.0 {0.61993 0.690975 0.319672} O3 2639 -1 6 {} C 0.0 {0.318358 0.313306 0.400296} C1 2640 -1 8 {} O 0.0 {0.0300616 0.615966 0.102235} O4 2641 -1 7 {} N 0.0 {0.350568 0.657094 0.345043} N8 2642 -1 8 {} O 0.0 {0.346366 0.681371 0.362421} O5 2643 -1 1 {} H 0.0 {0.32863 0.681683 0.365619} H1 2644 -1 1 {} H 0.0 {0.312865 0.660023 0.39073} H2 2645 -1 1 {} H 0.0 {0.294215 0.355161 0.400564} H3 2646 -1 1 {} H 0.0 {0.3066 0.36084 0.392655} H4 2647 -1 1 {} H 0.0 {0.330149 0.349798 0.397909} H5 2648 -1 1 {} H 0.0 {0.333332 0.334494 0.399838} H6 2649 -1 1 {} H 0.0 {0.299725 0.341422 0.421492} H7 2650 -1 1 {} H 0.0 {0.315178 0.3377 0.422735} H8 2651 -1 1 {} H 0.0 {0.273091 0.353139 0.387291} H9 2652 -1 1 {} H 0.0 {0.266379 0.340186 0.39495} H10 2653 -1 1 {} H 0.0 {0.29411 0.338363 0.362308} H11 2654 -1 1 {} H 0.0 {0.298915 0.350338 0.370777} H12 2655 -1 1 {} H 0.0 {0.278566 0.313354 0.386452} H13 2656 -1 1 {} H 0.0 {0.285096 0.314901 0.371491} H14 2657 -1 1 {} H 0.0 {0.628206 0.692794 0.32555} H15 2658 -1 1 {} H 0.0 {0.31097 0.319176 0.406145} H16 2659 -1 1 {} H 0.0 {0.313751 0.305707 0.394818} H17 2660 -1 1 {} H 0.0 {0.325636 0.31844 0.394447} H18 2661 -1 1 {} H 0.0 {0.629141 0.285683 0.588359} H19 2662 -1 1 {} H 0.0 {0.342703 0.650775 0.343496} H20 2663 -1 1 {} H 0.0 {0.348751 0.664595 0.337972} H21 2664 -1 1 {} H 0.0 {0.347843 0.683607 0.373197} H22 2665 -1 14 {} Si 0.0 {0.450588 0.657767 0.42016} Si1 2666 -1 8 {} O 0.0 {0.463527 0.657015 0.412034} O1 2667 -1 14 {} Si 0.0 {0.418816 0.295878 0.433855} Si2 2668 -1 8 {} O 0.0 {0.42875 0.303748 0.424741} O2 2669 -1 14 {} Si 0.0 {0.431552 0.319454 0.425387} Si3 2670 -1 7 {} N 0.0 {0.44089 0.327186 0.43687} N1 2671 -1 14 {} Si 0.0 {0.445641 0.33838 0.447336} Si4 2672 -1 14 {} Si 0.0 {0.448786 0.314753 0.443601} Si5 2673 -1 7 {} N 0.0 {0.466842 0.371287 0.476104} N2 2674 -1 7 {} N 0.0 {0.43605 0.342429 0.462071} N3 2675 -1 7 {} N 0.0 {0.460779 0.350595 0.442935} N4 2676 -1 7 {} N 0.0 {0.442583 0.306447 0.459528} N5 2677 -1 7 {} N 0.0 {0.468715 0.312832 0.437267} N6 2678 -1 7 {} N 0.0 {0.40201 0.643474 0.401836} N7 2679 -1 8 {} O 0.0 {0.456884 0.653893 0.434213} O3 2680 -1 6 {} C 0.0 {0.436945 0.64793 0.412327} C1 2681 -1 8 {} O 0.0 {0.451584 0.67379 0.419822} O4 2682 -1 7 {} N 0.0 {0.425884 0.330188 0.408989} N8 2683 -1 8 {} O 0.0 {0.319978 0.677205 0.370337} O5 2684 -1 1 {} H 0.0 {0.403022 0.299146 0.431786} H1 2685 -1 1 {} H 0.0 {0.421742 0.29602 0.446968} H2 2686 -1 1 {} H 0.0 {0.467015 0.38131 0.480778} H3 2687 -1 1 {} H 0.0 {0.470327 0.371622 0.466247} H4 2688 -1 1 {} H 0.0 {0.426664 0.344711 0.458845} H5 2689 -1 1 {} H 0.0 {0.438958 0.350866 0.467904} H6 2690 -1 1 {} H 0.0 {0.456808 0.354882 0.434617} H7 2691 -1 1 {} H 0.0 {0.462225 0.359164 0.448702} H8 2692 -1 1 {} H 0.0 {0.451347 0.300912 0.461648} H9 2693 -1 1 {} H 0.0 {0.443093 0.314816 0.46548} H10 2694 -1 1 {} H 0.0 {0.468606 0.303979 0.431718} H11 2695 -1 1 {} H 0.0 {0.472318 0.310761 0.44692} H12 2696 -1 1 {} H 0.0 {0.393645 0.639187 0.406025} H13 2697 -1 1 {} H 0.0 {0.409448 0.64093 0.408838} H14 2698 -1 1 {} H 0.0 {0.460714 0.662084 0.438173} H15 2699 -1 1 {} H 0.0 {0.439502 0.644791 0.402827} H16 2700 -1 1 {} H 0.0 {0.428505 0.654545 0.413858} H17 2701 -1 1 {} H 0.0 {0.442581 0.637713 0.42327} H18 2702 -1 1 {} H 0.0 {0.456927 0.676153 0.427514} H19 2703 -1 1 {} H 0.0 {0.433808 0.327555 0.402679} H20 2704 -1 1 {} H 0.0 {0.428518 0.339758 0.411132} H21 2705 -1 1 {} H 0.0 {0.69097 0.389648 0.383667} H22 2706 -1 14 {} Si 0.0 {0.5394 0.519357 0.50143} Si1 2707 -1 8 {} O 0.0 {0.526595 0.510294 0.503605} O1 2708 -1 14 {} Si 0.0 {0.514136 0.50265 0.49766} Si2 2709 -1 8 {} O 0.0 {0.508442 0.511006 0.485935} O2 2710 -1 14 {} Si 0.0 {0.495477 0.517017 0.480655} Si3 2711 -1 7 {} N 0.0 {0.482738 0.502643 0.47637} N1 2712 -1 14 {} Si 0.0 {0.487464 0.493028 0.463468} Si4 2713 -1 14 {} Si 0.0 {0.470987 0.494449 0.484969} Si5 2714 -1 7 {} N 0.0 {0.475069 0.479837 0.455909} N2 2715 -1 7 {} N 0.0 {0.501788 0.480433 0.469067} N3 2716 -1 7 {} N 0.0 {0.489283 0.503094 0.448325} N4 2717 -1 7 {} N 0.0 {0.473307 0.500119 0.503242} N5 2718 -1 7 {} N 0.0 {0.454244 0.499508 0.4777} N6 2719 -1 7 {} N 0.0 {0.472338 0.475204 0.488177} N7 2720 -1 8 {} O 0.0 {0.5322 0.532043 0.507781} O3 2721 -1 6 {} C 0.0 {0.549739 0.521952 0.482503} C1 2722 -1 8 {} O 0.0 {0.546768 0.512653 0.514027} O4 2723 -1 7 {} N 0.0 {0.497637 0.528302 0.464331} N8 2724 -1 8 {} O 0.0 {0.491599 0.523739 0.494391} O5 2725 -1 1 {} H 0.0 {0.504013 0.502239 0.508057} H1 2726 -1 1 {} H 0.0 {0.518477 0.487209 0.492506} H2 2727 -1 1 {} H 0.0 {0.472464 0.472914 0.462573} H3 2728 -1 1 {} H 0.0 {0.466968 0.485865 0.455325} H4 2729 -1 1 {} H 0.0 {0.506162 0.478319 0.459962} H5 2730 -1 1 {} H 0.0 {0.495273 0.473179 0.471068} H6 2731 -1 1 {} H 0.0 {0.498992 0.506439 0.4481} H7 2732 -1 1 {} H 0.0 {0.483762 0.511807 0.449862} H8 2733 -1 1 {} H 0.0 {0.481277 0.506276 0.503263} H9 2734 -1 1 {} H 0.0 {0.47689 0.491371 0.50695} H10 2735 -1 1 {} H 0.0 {0.457499 0.504021 0.469011} H11 2736 -1 1 {} H 0.0 {0.452228 0.507195 0.483764} H12 2737 -1 1 {} H 0.0 {0.463858 0.474079 0.493957} H13 2738 -1 1 {} H 0.0 {0.479649 0.474982 0.495173} H14 2739 -1 1 {} H 0.0 {0.536449 0.533659 0.51669} H15 2740 -1 1 {} H 0.0 {0.546411 0.513733 0.476355} H16 2741 -1 1 {} H 0.0 {0.560206 0.521611 0.483491} H17 2742 -1 1 {} H 0.0 {0.546988 0.531292 0.478456} H18 2743 -1 1 {} H 0.0 {0.543786 0.516622 0.522298} H19 2744 -1 1 {} H 0.0 {0.504243 0.522799 0.459825} H20 2745 -1 1 {} H 0.0 {0.503038 0.535753 0.468186} H21 2746 -1 1 {} H 0.0 {0.497235 0.530726 0.497414} H22 2747 -1 14 {} Si 0.0 {0.470638 0.433128 0.476255} Si1 2748 -1 8 {} O 0.0 {0.456853 0.440233 0.475932} O1 2749 -1 14 {} Si 0.0 {0.441796 0.443748 0.47705} Si2 2750 -1 8 {} O 0.0 {0.429733 0.426465 0.492973} O2 2751 -1 14 {} Si 0.0 {0.438143 0.420076 0.50513} Si3 2752 -1 7 {} N 0.0 {0.456333 0.41461 0.497628} N1 2753 -1 14 {} Si 0.0 {0.465215 0.407466 0.509278} Si4 2754 -1 14 {} Si 0.0 {0.463545 0.40876 0.48423} Si5 2755 -1 7 {} N 0.0 {0.450874 0.414552 0.522236} N2 2756 -1 7 {} N 0.0 {0.482158 0.416459 0.513192} N3 2757 -1 7 {} N 0.0 {0.46605 0.388911 0.510181} N4 2758 -1 7 {} N 0.0 {0.450465 0.396405 0.475811} N5 2759 -1 7 {} N 0.0 {0.480826 0.395652 0.395963} N6 2760 -1 7 {} N 0.0 {0.481306 0.400143 0.483486} N7 2761 -1 8 {} O 0.0 {0.482987 0.450033 0.476202} O3 2762 -1 6 {} C 0.0 {0.488995 0.440645 0.489476} C1 2763 -1 8 {} O 0.0 {0.470095 0.42729 0.461657} O4 2764 -1 7 {} N 0.0 {0.429932 0.402551 0.508103} N8 2765 -1 8 {} O 0.0 {0.433535 0.433038 0.513151} O5 2766 -1 1 {} H 0.0 {0.436384 0.443859 0.46506} H1 2767 -1 1 {} H 0.0 {0.440208 0.457329 0.483961} H2 2768 -1 1 {} H 0.0 {0.452929 0.424662 0.522995} H3 2769 -1 1 {} H 0.0 {0.446834 0.404876 0.521924} H4 2770 -1 1 {} H 0.0 {0.4867 0.409621 0.519009} H5 2771 -1 1 {} H 0.0 {0.478701 0.423665 0.519432} H6 2772 -1 1 {} H 0.0 {0.456557 0.387028 0.512713} H7 2773 -1 1 {} H 0.0 {0.467736 0.385723 0.50043} H8 2774 -1 1 {} H 0.0 {0.457854 0.393141 0.468388} H9 2775 -1 1 {} H 0.0 {0.434469 0.433671 0.486816} H10 2776 -1 1 {} H 0.0 {0.488067 0.391852 0.401529} H11 2777 -1 1 {} H 0.0 {0.472514 0.393643 0.401326} H12 2778 -1 1 {} H 0.0 {0.479633 0.391421 0.479804} H13 2779 -1 1 {} H 0.0 {0.483293 0.399197 0.493192} H14 2780 -1 1 {} H 0.0 {0.477916 0.457019 0.481123} H15 2781 -1 1 {} H 0.0 {0.497222 0.435006 0.485829} H16 2782 -1 1 {} H 0.0 {0.483983 0.434034 0.496154} H17 2783 -1 1 {} H 0.0 {0.493053 0.448277 0.496555} H18 2784 -1 1 {} H 0.0 {0.474921 0.432842 0.455924} H19 2785 -1 1 {} H 0.0 {0.425479 0.403054 0.51698} H20 2786 -1 1 {} H 0.0 {0.42212 0.402932 0.501684} H21 2787 -1 1 {} H 0.0 {0.424808 0.433206 0.516993} H22 2788 -1 14 {} Si 0.0 {0.598486 0.54127 0.588048} Si1 2789 -1 8 {} O 0.0 {0.59025 0.545837 0.600537} O1 2790 -1 14 {} Si 0.0 {0.578296 0.546355 0.610957} Si2 2791 -1 8 {} O 0.0 {0.587201 0.546855 0.623647} O2 2792 -1 14 {} Si 0.0 {0.599465 0.539692 0.631072} Si3 2793 -1 7 {} N 0.0 {0.601186 0.545687 0.646443} N1 2794 -1 14 {} Si 0.0 {0.611444 0.555553 0.655489} Si4 2795 -1 14 {} Si 0.0 {0.589572 0.54656 0.65843} Si5 2796 -1 7 {} N 0.0 {0.626613 0.545504 0.659934} N2 2797 -1 7 {} N 0.0 {0.508918 0.693035 0.618799} N3 2798 -1 7 {} N 0.0 {0.604396 0.509883 0.643681} N4 2799 -1 7 {} N 0.0 {0.599142 0.559536 0.672117} N5 2800 -1 7 {} N 0.0 {0.570576 0.552733 0.651635} N6 2801 -1 7 {} N 0.0 {0.588883 0.527978 0.665973} N7 2802 -1 8 {} O 0.0 {0.585133 0.534898 0.582356} O3 2803 -1 6 {} C 0.0 {0.614091 0.531202 0.591412} C1 2804 -1 8 {} O 0.0 {0.597652 0.557295 0.577406} O4 2805 -1 7 {} N 0.0 {0.618019 0.539586 0.624175} N8 2806 -1 8 {} O 0.0 {0.59218 0.520191 0.63359} O5 2807 -1 1 {} H 0.0 {0.571144 0.532063 0.609713} H1 2808 -1 1 {} H 0.0 {0.570808 0.562652 0.6035} H2 2809 -1 1 {} H 0.0 {0.634824 0.549275 0.65513} H3 2810 -1 1 {} H 0.0 {0.624394 0.536832 0.65505} H4 2811 -1 1 {} H 0.0 {0.50832 0.695327 0.608609} H5 2812 -1 1 {} H 0.0 {0.505497 0.701961 0.622935} H6 2813 -1 1 {} H 0.0 {0.598569 0.502319 0.647489} H7 2814 -1 1 {} H 0.0 {0.610736 0.505656 0.636877} H8 2815 -1 1 {} H 0.0 {0.606302 0.561655 0.679197} H9 2816 -1 1 {} H 0.0 {0.59442 0.568219 0.670477} H10 2817 -1 1 {} H 0.0 {0.565841 0.543517 0.652056} H11 2818 -1 1 {} H 0.0 {0.572274 0.554253 0.641461} H12 2819 -1 1 {} H 0.0 {0.582495 0.5236 0.659837} H13 2820 -1 1 {} H 0.0 {0.597603 0.523385 0.664844} H14 2821 -1 1 {} H 0.0 {0.578265 0.541397 0.58008} H15 2822 -1 1 {} H 0.0 {0.616782 0.53136 0.601708} H16 2823 -1 1 {} H 0.0 {0.621165 0.536827 0.585935} H17 2824 -1 1 {} H 0.0 {0.613184 0.520707 0.589589} H18 2825 -1 1 {} H 0.0 {0.588312 0.558789 0.5755} H19 2826 -1 1 {} H 0.0 {0.620944 0.548254 0.620469} H20 2827 -1 1 {} H 0.0 {0.622773 0.539806 0.633668} H21 2828 -1 1 {} H 0.0 {0.583627 0.520516 0.63915} H22 2829 -1 14 {} Si 0.0 {0.484905 0.57349 0.438861} Si1 2830 -1 8 {} O 0.0 {0.486015 0.558504 0.438795} O1 2831 -1 14 {} Si 0.0 {0.488033 0.543266 0.436279} Si2 2832 -1 8 {} O 0.0 {0.47381 0.537535 0.432113} O2 2833 -1 14 {} Si 0.0 {0.459041 0.540229 0.428274} Si3 2834 -1 7 {} N 0.0 {0.448696 0.523261 0.426694} N1 2835 -1 14 {} Si 0.0 {0.449082 0.514194 0.440972} Si4 2836 -1 14 {} Si 0.0 {0.441907 0.515548 0.414365} Si5 2837 -1 7 {} N 0.0 {0.456949 0.497311 0.435953} N2 2838 -1 7 {} N 0.0 {0.43173 0.510041 0.448286} N3 2839 -1 7 {} N 0.0 {0.461016 0.522047 0.45409} N4 2840 -1 7 {} N 0.0 {0.428748 0.501988 0.418668} N5 2841 -1 7 {} N 0.0 {0.433295 0.53069 0.405536} N6 2842 -1 7 {} N 0.0 {0.454489 0.507841 0.401593} N7 2843 -1 8 {} O 0.0 {0.472488 0.571892 0.45478} O3 2844 -1 6 {} C 0.0 {0.480665 0.584432 0.424376} C1 2845 -1 8 {} O 0.0 {0.4988 0.575805 0.447677} O4 2846 -1 7 {} N 0.0 {0.457485 0.549072 0.411953} N8 2847 -1 8 {} O 0.0 {0.454884 0.547455 0.441615} O5 2848 -1 1 {} H 0.0 {0.492558 0.535767 0.449594} H1 2849 -1 1 {} H 0.0 {0.497993 0.541614 0.425506} H2 2850 -1 1 {} H 0.0 {0.466673 0.497876 0.439323} H3 2851 -1 1 {} H 0.0 {0.45727 0.498929 0.42591} H4 2852 -1 1 {} H 0.0 {0.428958 0.519621 0.449925} H5 2853 -1 1 {} H 0.0 {0.433663 0.505109 0.456916} H6 2854 -1 1 {} H 0.0 {0.454627 0.528889 0.458611} H7 2855 -1 1 {} H 0.0 {0.466783 0.528046 0.448267} H8 2856 -1 1 {} H 0.0 {0.425361 0.506117 0.427} H9 2857 -1 1 {} H 0.0 {0.435184 0.49468 0.421764} H10 2858 -1 1 {} H 0.0 {0.423378 0.527907 0.405527} H11 2859 -1 1 {} H 0.0 {0.436467 0.529053 0.395725} H12 2860 -1 1 {} H 0.0 {0.461011 0.51491 0.399458} H13 2861 -1 1 {} H 0.0 {0.449028 0.50667 0.392789} H14 2862 -1 1 {} H 0.0 {0.463919 0.573423 0.450735} H15 2863 -1 1 {} H 0.0 {0.471943 0.579839 0.420077} H16 2864 -1 1 {} H 0.0 {0.488728 0.583322 0.417326} H17 2865 -1 1 {} H 0.0 {0.479875 0.594664 0.427461} H18 2866 -1 1 {} H 0.0 {0.495918 0.579892 0.45606} H19 2867 -1 1 {} H 0.0 {0.453109 0.557449 0.415294} H20 2868 -1 1 {} H 0.0 {0.46738 0.55109 0.409811} H21 2869 -1 1 {} H 0.0 {0.462631 0.552689 0.445899} H22 2870 -1 14 {} Si 0.0 {0.391403 0.581865 0.500813} Si1 2871 -1 8 {} O 0.0 {0.402469 0.592023 0.494988} O1 2872 -1 14 {} Si 0.0 {0.415055 0.595798 0.486638} Si2 2873 -1 8 {} O 0.0 {0.414053 0.588289 0.4727} O2 2874 -1 14 {} Si 0.0 {0.40936 0.586875 0.457847} Si3 2875 -1 7 {} N 0.0 {0.41892 0.573759 0.446896} N1 2876 -1 14 {} Si 0.0 {0.425502 0.572168 0.431824} Si4 2877 -1 14 {} Si 0.0 {0.416019 0.55854 0.452518} Si5 2878 -1 7 {} N 0.0 {0.417471 0.585494 0.420834} N2 2879 -1 7 {} N 0.0 {0.42296 0.556437 0.420628} N3 2880 -1 7 {} N 0.0 {0.444219 0.574452 0.43736} N4 2881 -1 7 {} N 0.0 {0.398217 0.552408 0.446541} N5 2882 -1 7 {} N 0.0 {0.426872 0.542953 0.447835} N6 2883 -1 7 {} N 0.0 {0.415041 0.558192 0.47216} N7 2884 -1 8 {} O 0.0 {0.391633 0.57214 0.488685} O3 2885 -1 6 {} C 0.0 {0.374785 0.587888 0.507777} C1 2886 -1 8 {} O 0.0 {0.404453 0.571855 0.511167} O4 2887 -1 7 {} N 0.0 {0.406343 0.601739 0.44625} N8 2888 -1 8 {} O 0.0 {0.394437 0.581013 0.460282} O5 2889 -1 1 {} H 0.0 {0.428146 0.591369 0.494389} H1 2890 -1 1 {} H 0.0 {0.415137 0.610978 0.483223} H2 2891 -1 1 {} H 0.0 {0.411522 0.589668 0.427981} H3 2892 -1 1 {} H 0.0 {0.41248 0.57926 0.414772} H4 2893 -1 1 {} H 0.0 {0.419919 0.549918 0.427683} H5 2894 -1 1 {} H 0.0 {0.432121 0.552535 0.417891} H6 2895 -1 1 {} H 0.0 {0.442877 0.576463 0.447054} H7 2896 -1 1 {} H 0.0 {0.446784 0.564607 0.435129} H8 2897 -1 1 {} H 0.0 {0.396249 0.559066 0.439418} H9 2898 -1 1 {} H 0.0 {0.392222 0.555596 0.454218} H10 2899 -1 1 {} H 0.0 {0.428891 0.541177 0.45745} H11 2900 -1 1 {} H 0.0 {0.435197 0.547976 0.4445} H12 2901 -1 1 {} H 0.0 {0.405704 0.555656 0.473531} H13 2902 -1 1 {} H 0.0 {0.416418 0.568073 0.473266} H14 2903 -1 1 {} H 0.0 {0.397921 0.564121 0.490828} H15 2904 -1 1 {} H 0.0 {0.368986 0.592625 0.500791} H16 2905 -1 1 {} H 0.0 {0.377722 0.593387 0.517173} H17 2906 -1 1 {} H 0.0 {0.368493 0.580118 0.510743} H18 2907 -1 1 {} H 0.0 {0.408109 0.565084 0.505064} H19 2908 -1 1 {} H 0.0 {0.415246 0.6018 0.442222} H20 2909 -1 1 {} H 0.0 {0.405446 0.609256 0.452688} H21 2910 -1 1 {} H 0.0 {0.393415 0.577799 0.46934} H22 2911 -1 14 {} Si 0.0 {0.365123 0.307457 0.385535} Si1 2912 -1 8 {} O 0.0 {0.364906 0.322704 0.380705} O1 2913 -1 14 {} Si 0.0 {0.371567 0.33653 0.378601} Si2 2914 -1 8 {} O 0.0 {0.379487 0.336565 0.392126} O2 2915 -1 14 {} Si 0.0 {0.385329 0.329828 0.404745} Si3 2916 -1 7 {} N 0.0 {0.341357 0.294033 0.408438} N1 2917 -1 14 {} Si 0.0 {0.333352 0.304705 0.416291} Si4 2918 -1 14 {} Si 0.0 {0.399585 0.33997 0.455139} Si5 2919 -1 7 {} N 0.0 {0.274933 0.372816 0.331627} N2 2920 -1 7 {} N 0.0 {0.322196 0.29896 0.431536} N3 2921 -1 7 {} N 0.0 {0.490789 0.279522 0.37287} N4 2922 -1 7 {} N 0.0 {0.392902 0.32742 0.468336} N5 2923 -1 7 {} N 0.0 {0.402564 0.329878 0.439717} N6 2924 -1 7 {} N 0.0 {0.42776 0.355179 0.430735} N7 2925 -1 8 {} O 0.0 {0.363825 0.309427 0.405695} O3 2926 -1 6 {} C 0.0 {0.377899 0.299507 0.403852} C1 2927 -1 8 {} O 0.0 {0.351079 0.301664 0.38099} O4 2928 -1 7 {} N 0.0 {0.3738 0.387038 0.459792} N8 2929 -1 8 {} O 0.0 {0.422084 0.404377 0.440539} O5 2930 -1 1 {} H 0.0 {0.351029 0.350474 0.38403} H1 2931 -1 1 {} H 0.0 {0.380384 0.33708 0.36795} H2 2932 -1 1 {} H 0.0 {0.277928 0.36307 0.334497} H3 2933 -1 1 {} H 0.0 {0.280814 0.375766 0.323105} H4 2934 -1 1 {} H 0.0 {0.328472 0.301344 0.439033} H5 2935 -1 1 {} H 0.0 {0.31534 0.306594 0.431632} H6 2936 -1 1 {} H 0.0 {0.500567 0.278935 0.373062} H7 2937 -1 1 {} H 0.0 {0.488979 0.285737 0.365034} H8 2938 -1 1 {} H 0.0 {0.387261 0.33366 0.473609} H9 2939 -1 1 {} H 0.0 {0.400886 0.323589 0.473587} H10 2940 -1 1 {} H 0.0 {0.399344 0.336799 0.432771} H11 2941 -1 1 {} H 0.0 {0.395778 0.322912 0.439263} H12 2942 -1 1 {} H 0.0 {0.428978 0.357866 0.440466} H13 2943 -1 1 {} H 0.0 {0.426745 0.345075 0.430556} H14 2944 -1 1 {} H 0.0 {0.357811 0.30222 0.407683} H15 2945 -1 1 {} H 0.0 {0.379438 0.291799 0.396471} H16 2946 -1 1 {} H 0.0 {0.375764 0.293426 0.411951} H17 2947 -1 1 {} H 0.0 {0.386995 0.304084 0.403833} H18 2948 -1 1 {} H 0.0 {0.346483 0.297772 0.389131} H19 2949 -1 1 {} H 0.0 {0.371241 0.377858 0.456056} H20 2950 -1 1 {} H 0.0 {0.380868 0.385168 0.467125} H21 2951 -1 1 {} H 0.0 {0.428798 0.411916 0.441098} H22 2952 -1 14 {} Si 0.0 {0.666841 0.42301 0.531062} Si1 2953 -1 8 {} O 0.0 {0.666215 0.436604 0.523236} O1 2954 -1 14 {} Si 0.0 {0.672867 0.450241 0.519065} Si2 2955 -1 8 {} O 0.0 {0.678141 0.444676 0.505155} O2 2956 -1 14 {} Si 0.0 {0.678254 0.436208 0.492405} Si3 2957 -1 7 {} N 0.0 {0.680111 0.443384 0.477313} N1 2958 -1 14 {} Si 0.0 {0.674024 0.457859 0.471645} Si4 2959 -1 14 {} Si 0.0 {0.689664 0.438293 0.464224} Si5 2960 -1 7 {} N 0.0 {0.685097 0.468885 0.459735} N2 2961 -1 7 {} N 0.0 {0.669998 0.467207 0.488226} N3 2962 -1 7 {} N 0.0 {0.657213 0.455639 0.463378} N4 2963 -1 7 {} N 0.0 {0.678892 0.439425 0.447027} N5 2964 -1 7 {} N 0.0 {0.708589 0.444914 0.463079} N6 2965 -1 7 {} N 0.0 {0.694351 0.419907 0.46724} N7 2966 -1 8 {} O 0.0 {0.661577 0.433965 0.54787} O3 2967 -1 6 {} C 0.0 {0.68067 0.41062 0.530126} C1 2968 -1 8 {} O 0.0 {0.650792 0.418323 0.528467} O4 2969 -1 7 {} N 0.0 {0.746153 0.412982 0.44776} N8 2970 -1 8 {} O 0.0 {0.683347 0.421606 0.495138} O5 2971 -1 1 {} H 0.0 {0.658254 0.442154 0.543558} H1 2972 -1 1 {} H 0.0 {0.661451 0.458301 0.516182} H2 2973 -1 1 {} H 0.0 {0.693723 0.463634 0.460817} H3 2974 -1 1 {} H 0.0 {0.685754 0.477067 0.465983} H4 2975 -1 1 {} H 0.0 {0.676263 0.463372 0.495185} H5 2976 -1 1 {} H 0.0 {0.660492 0.466584 0.491574} H6 2977 -1 1 {} H 0.0 {0.657428 0.446757 0.458851} H7 2978 -1 1 {} H 0.0 {0.656298 0.462287 0.455714} H8 2979 -1 1 {} H 0.0 {0.678295 0.450036 0.446162} H9 2980 -1 1 {} H 0.0 {0.670631 0.43591 0.451044} H10 2981 -1 1 {} H 0.0 {0.711116 0.439599 0.471527} H11 2982 -1 1 {} H 0.0 {0.711362 0.438477 0.455529} H12 2983 -1 1 {} H 0.0 {0.690398 0.419293 0.476898} H13 2984 -1 1 {} H 0.0 {0.686932 0.415263 0.461508} H14 2985 -1 1 {} H 0.0 {0.651213 0.430281 0.552939} H15 2986 -1 1 {} H 0.0 {0.680649 0.404102 0.538947} H16 2987 -1 1 {} H 0.0 {0.689724 0.416784 0.53052} H17 2988 -1 1 {} H 0.0 {0.681741 0.406302 0.520445} H18 2989 -1 1 {} H 0.0 {0.646036 0.427078 0.526715} H19 2990 -1 1 {} H 0.0 {0.750379 0.40727 0.455579} H20 2991 -1 1 {} H 0.0 {0.737005 0.408736 0.446569} H21 2992 -1 1 {} H 0.0 {0.698035 0.490415 0.488834} H22 2993 -1 14 {} Si 0.0 {0.588272 0.545135 0.451696} Si1 2994 -1 8 {} O 0.0 {0.599229 0.538612 0.442804} O1 2995 -1 14 {} Si 0.0 {0.610539 0.533749 0.4331} Si2 2996 -1 8 {} O 0.0 {0.612108 0.544749 0.422427} O2 2997 -1 14 {} Si 0.0 {0.605631 0.559133 0.418927} Si3 2998 -1 7 {} N 0.0 {0.614058 0.571016 0.405389} N1 2999 -1 14 {} Si 0.0 {0.608456 0.585768 0.400863} Si4 3000 -1 14 {} Si 0.0 {0.624677 0.562591 0.397093} Si5 3001 -1 7 {} N 0.0 {0.613115 0.599796 0.412626} N2 3002 -1 7 {} N 0.0 {0.588826 0.585988 0.399041} N3 3003 -1 7 {} N 0.0 {0.612829 0.592883 0.383383} N4 3004 -1 7 {} N 0.0 {0.620333 0.543067 0.39453} N5 3005 -1 7 {} N 0.0 {0.627065 0.566421 0.378015} N6 3006 -1 7 {} N 0.0 {0.641346 0.566316 0.407841} N7 3007 -1 8 {} O 0.0 {0.587017 0.570647 0.461501} O3 3008 -1 6 {} C 0.0 {0.583383 0.541447 0.469394} C1 3009 -1 8 {} O 0.0 {0.578094 0.549155 0.440012} O4 3010 -1 7 {} N 0.0 {0.601072 0.574352 0.431398} N8 3011 -1 8 {} O 0.0 {0.59296 0.551817 0.413095} O5 3012 -1 1 {} H 0.0 {0.605896 0.521414 0.426992} H1 3013 -1 1 {} H 0.0 {0.625293 0.532227 0.439816} H2 3014 -1 1 {} H 0.0 {0.608171 0.607887 0.408522} H3 3015 -1 1 {} H 0.0 {0.607635 0.598216 0.421462} H4 3016 -1 1 {} H 0.0 {0.586635 0.57594 0.398995} H5 3017 -1 1 {} H 0.0 {0.587828 0.588781 0.389537} H6 3018 -1 1 {} H 0.0 {0.622594 0.593825 0.385108} H7 3019 -1 1 {} H 0.0 {0.609723 0.602978 0.384051} H8 3020 -1 1 {} H 0.0 {0.611221 0.543163 0.399699} H9 3021 -1 1 {} H 0.0 {0.618229 0.543092 0.384755} H10 3022 -1 1 {} H 0.0 {0.63426 0.57344 0.377904} H11 3023 -1 1 {} H 0.0 {0.618461 0.572067 0.376705} H12 3024 -1 1 {} H 0.0 {0.639021 0.574555 0.414198} H13 3025 -1 1 {} H 0.0 {0.648034 0.570306 0.400693} H14 3026 -1 1 {} H 0.0 {0.585745 0.579865 0.46449} H15 3027 -1 1 {} H 0.0 {0.576374 0.532874 0.46914} H16 3028 -1 1 {} H 0.0 {0.577982 0.549935 0.472458} H17 3029 -1 1 {} H 0.0 {0.591825 0.538693 0.474694} H18 3030 -1 1 {} H 0.0 {0.583373 0.548719 0.431417} H19 3031 -1 1 {} H 0.0 {0.595376 0.580253 0.424274} H20 3032 -1 1 {} H 0.0 {0.610031 0.578251 0.432147} H21 3033 -1 1 {} H 0.0 {0.591966 0.546019 0.405538} H22 3034 -1 14 {} Si 0.0 {0.442393 0.56577 0.595388} Si1 3035 -1 8 {} O 0.0 {0.440926 0.538726 0.591305} O1 3036 -1 14 {} Si 0.0 {0.454155 0.542446 0.615647} Si2 3037 -1 8 {} O 0.0 {0.449949 0.528429 0.609494} O2 3038 -1 14 {} Si 0.0 {0.453484 0.529998 0.593942} Si3 3039 -1 7 {} N 0.0 {0.454589 0.552482 0.548511} N1 3040 -1 14 {} Si 0.0 {0.442456 0.557367 0.557299} Si4 3041 -1 14 {} Si 0.0 {0.479354 0.556696 0.556393} Si5 3042 -1 7 {} N 0.0 {0.434008 0.617729 0.563977} N2 3043 -1 7 {} N 0.0 {0.425679 0.519954 0.492214} N3 3044 -1 7 {} N 0.0 {0.427355 0.561148 0.542892} N4 3045 -1 7 {} N 0.0 {0.494041 0.564932 0.513624} N5 3046 -1 7 {} N 0.0 {0.582275 0.416097 0.45519} N6 3047 -1 7 {} N 0.0 {0.475855 0.585556 0.46817} N7 3048 -1 8 {} O 0.0 {0.426055 0.622848 0.579428} O3 3049 -1 6 {} C 0.0 {0.457463 0.561837 0.604259} C1 3050 -1 8 {} O 0.0 {0.429005 0.57297 0.599373} O4 3051 -1 7 {} N 0.0 {0.466896 0.52292 0.585354} N8 3052 -1 8 {} O 0.0 {0.482656 0.539724 0.626662} O5 3053 -1 1 {} H 0.0 {0.446367 0.54496 0.629174} H1 3054 -1 1 {} H 0.0 {0.468504 0.540398 0.621493} H2 3055 -1 1 {} H 0.0 {0.415761 0.622347 0.578454} H3 3056 -1 1 {} H 0.0 {0.444052 0.621207 0.564739} H4 3057 -1 1 {} H 0.0 {0.416458 0.516382 0.495251} H5 3058 -1 1 {} H 0.0 {0.425505 0.523782 0.482671} H6 3059 -1 1 {} H 0.0 {0.417917 0.562312 0.546952} H7 3060 -1 1 {} H 0.0 {0.426904 0.552394 0.537793} H8 3061 -1 1 {} H 0.0 {0.494823 0.574173 0.509892} H9 3062 -1 1 {} H 0.0 {0.501565 0.565277 0.520829} H10 3063 -1 1 {} H 0.0 {0.591508 0.416881 0.450777} H11 3064 -1 1 {} H 0.0 {0.582025 0.409716 0.463129} H12 3065 -1 1 {} H 0.0 {0.467697 0.586121 0.473448} H13 3066 -1 1 {} H 0.0 {0.483291 0.582098 0.474085} H14 3067 -1 1 {} H 0.0 {0.427484 0.615581 0.586216} H15 3068 -1 1 {} H 0.0 {0.446475 0.520031 0.546486} H16 3069 -1 1 {} H 0.0 {0.465765 0.559893 0.598141} H17 3070 -1 1 {} H 0.0 {0.458433 0.569855 0.610959} H18 3071 -1 1 {} H 0.0 {0.380115 0.613023 0.660495} H19 3072 -1 1 {} H 0.0 {0.469408 0.515393 0.592538} H20 3073 -1 1 {} H 0.0 {0.464519 0.517628 0.577291} H21 3074 -1 1 {} H 0.0 {0.487235 0.548262 0.62469} H22 3075 -1 14 {} Si 0.0 {0.504359 0.571764 0.664924} Si1 3076 -1 8 {} O 0.0 {0.512168 0.57364 0.678433} O1 3077 -1 14 {} Si 0.0 {0.508569 0.519206 0.30417} Si2 3078 -1 8 {} O 0.0 {0.494933 0.495535 0.294389} O2 3079 -1 14 {} Si 0.0 {0.503643 0.496262 0.307428} Si3 3080 -1 7 {} N 0.0 {0.460805 0.510015 0.667566} N1 3081 -1 14 {} Si 0.0 {0.481284 0.491751 0.302045} Si4 3082 -1 14 {} Si 0.0 {0.463366 0.518052 0.654489} Si5 3083 -1 7 {} N 0.0 {0.432494 0.467767 0.339754} N2 3084 -1 7 {} N 0.0 {0.466566 0.503298 0.303008} N3 3085 -1 7 {} N 0.0 {0.473566 0.475239 0.304782} N4 3086 -1 7 {} N 0.0 {0.470282 0.536263 0.656096} N5 3087 -1 7 {} N 0.0 {0.447261 0.516811 0.643481} N6 3088 -1 7 {} N 0.0 {0.572342 0.554473 0.317389} N7 3089 -1 8 {} O 0.0 {0.509002 0.547404 0.306963} O3 3090 -1 6 {} C 0.0 {0.488377 0.577063 0.660351} C1 3091 -1 8 {} O 0.0 {0.521642 0.512302 0.311659} O4 3092 -1 7 {} N 0.0 {0.427937 0.497755 0.670688} N8 3093 -1 8 {} O 0.0 {0.492447 0.502986 0.317007} O5 3094 -1 1 {} H 0.0 {0.495571 0.530034 0.289613} H1 3095 -1 1 {} H 0.0 {0.507822 0.536719 0.305923} H2 3096 -1 1 {} H 0.0 {0.43584 0.459919 0.333031} H3 3097 -1 1 {} H 0.0 {0.440806 0.469496 0.346014} H4 3098 -1 1 {} H 0.0 {0.459236 0.498461 0.307881} H5 3099 -1 1 {} H 0.0 {0.469825 0.510943 0.308466} H6 3100 -1 1 {} H 0.0 {0.46417 0.4771 0.309311} H7 3101 -1 1 {} H 0.0 {0.47035 0.471889 0.295357} H8 3102 -1 1 {} H 0.0 {0.477049 0.534354 0.663233} H9 3103 -1 1 {} H 0.0 {0.47516 0.536323 0.646583} H10 3104 -1 1 {} H 0.0 {0.444879 0.526067 0.640403} H11 3105 -1 1 {} H 0.0 {0.440104 0.513103 0.649798} H12 3106 -1 1 {} H 0.0 {0.506994 0.61153 0.648383} H13 3107 -1 1 {} H 0.0 {0.562522 0.555549 0.315017} H14 3108 -1 1 {} H 0.0 {0.514989 0.564882 0.681132} H15 3109 -1 1 {} H 0.0 {0.486283 0.578176 0.650103} H16 3110 -1 1 {} H 0.0 {0.228998 0.545502 0.392559} H17 3111 -1 1 {} H 0.0 {0.480455 0.575948 0.667418} H18 3112 -1 1 {} H 0.0 {0.529405 0.51307 0.305663} H19 3113 -1 1 {} H 0.0 {0.437676 0.500929 0.670214} H20 3114 -1 1 {} H 0.0 {0.429515 0.488272 0.668151} H21 3115 -1 1 {} H 0.0 {0.494642 0.515135 0.312287} H22 3116 -1 14 {} Si 0.0 {0.432914 0.417952 0.555682} Si1 3117 -1 8 {} O 0.0 {0.419194 0.409601 0.557457} O1 3118 -1 14 {} Si 0.0 {0.412111 0.396707 0.554605} Si2 3119 -1 8 {} O 0.0 {0.398956 0.399855 0.563112} O2 3120 -1 14 {} Si 0.0 {0.388782 0.40765 0.572014} Si3 3121 -1 7 {} N 0.0 {0.37267 0.408179 0.566215} N1 3122 -1 14 {} Si 0.0 {0.357287 0.412435 0.565083} Si4 3123 -1 14 {} Si 0.0 {0.349287 0.439214 0.593933} Si5 3124 -1 7 {} N 0.0 {0.350399 0.426485 0.577361} N2 3125 -1 7 {} N 0.0 {0.345197 0.397382 0.567367} N3 3126 -1 7 {} N 0.0 {0.355596 0.419499 0.547979} N4 3127 -1 7 {} N 0.0 {0.340482 0.455552 0.588646} N5 3128 -1 7 {} N 0.0 {0.450665 0.403428 0.590662} N6 3129 -1 7 {} N 0.0 {0.321756 0.439919 0.609742} N7 3130 -1 8 {} O 0.0 {0.476041 0.392339 0.541639} O3 3131 -1 6 {} C 0.0 {0.4507 0.413274 0.55954} C1 3132 -1 8 {} O 0.0 {0.427359 0.42727 0.544424} O4 3133 -1 7 {} N 0.0 {0.394481 0.426521 0.574715} N8 3134 -1 8 {} O 0.0 {0.391614 0.400254 0.586003} O5 3135 -1 1 {} H 0.0 {0.45654 0.408253 0.584058} H1 3136 -1 1 {} H 0.0 {0.406562 0.397934 0.539361} H2 3137 -1 1 {} H 0.0 {0.340552 0.423425 0.577918} H3 3138 -1 1 {} H 0.0 {0.349875 0.434579 0.571249} H4 3139 -1 1 {} H 0.0 {0.345716 0.394205 0.557547} H5 3140 -1 1 {} H 0.0 {0.336179 0.402901 0.567236} H6 3141 -1 1 {} H 0.0 {0.362773 0.426446 0.547792} H7 3142 -1 1 {} H 0.0 {0.359566 0.411485 0.542938} H8 3143 -1 1 {} H 0.0 {0.33392 0.453032 0.581508} H9 3144 -1 1 {} H 0.0 {0.348066 0.459535 0.58281} H10 3145 -1 1 {} H 0.0 {0.455751 0.40342 0.599587} H11 3146 -1 1 {} H 0.0 {0.473662 0.401014 0.54466} H12 3147 -1 1 {} H 0.0 {0.32931 0.444808 0.614311} H13 3148 -1 1 {} H 0.0 {0.316172 0.433882 0.615813} H14 3149 -1 1 {} H 0.0 {0.47003 0.39126 0.533574} H15 3150 -1 1 {} H 0.0 {0.455044 0.408797 0.550897} H16 3151 -1 1 {} H 0.0 {0.450762 0.407658 0.568739} H17 3152 -1 1 {} H 0.0 {0.4552 0.421882 0.562507} H18 3153 -1 1 {} H 0.0 {0.433615 0.427051 0.536249} H19 3154 -1 1 {} H 0.0 {0.392026 0.430154 0.565462} H20 3155 -1 1 {} H 0.0 {0.404389 0.424615 0.57422} H21 3156 -1 1 {} H 0.0 {0.388245 0.432742 0.608789} H22 3157 -1 14 {} Si 0.0 {0.522745 0.369743 0.448446} Si1 3158 -1 8 {} O 0.0 {0.506745 0.383789 0.415399} O1 3159 -1 14 {} Si 0.0 {0.518407 0.393027 0.409694} Si2 3160 -1 8 {} O 0.0 {0.510617 0.405328 0.477071} O2 3161 -1 14 {} Si 0.0 {0.51735 0.417118 0.485032} Si3 3162 -1 7 {} N 0.0 {0.534828 0.417776 0.486131} N1 3163 -1 14 {} Si 0.0 {0.543909 0.419567 0.499851} Si4 3164 -1 14 {} Si 0.0 {0.54424 0.414917 0.47222} Si5 3165 -1 7 {} N 0.0 {0.562322 0.422894 0.496622} N2 3166 -1 7 {} N 0.0 {0.53983 0.405105 0.510329} N3 3167 -1 7 {} N 0.0 {0.538495 0.435629 0.508671} N4 3168 -1 7 {} N 0.0 {0.553735 0.430131 0.464835} N5 3169 -1 7 {} N 0.0 {0.558443 0.402141 0.474369} N6 3170 -1 7 {} N 0.0 {0.534934 0.406732 0.457776} N7 3171 -1 8 {} O 0.0 {0.534661 0.379783 0.44492} O3 3172 -1 6 {} C 0.0 {0.525118 0.352891 0.44731} C1 3173 -1 8 {} O 0.0 {0.511834 0.37823 0.441492} O4 3174 -1 7 {} N 0.0 {0.510942 0.419293 0.504191} N8 3175 -1 8 {} O 0.0 {0.511763 0.42812 0.474691} O5 3176 -1 1 {} H 0.0 {0.575114 0.457703 0.403846} H1 3177 -1 1 {} H 0.0 {0.512342 0.405147 0.405605} H2 3178 -1 1 {} H 0.0 {0.561777 0.424019 0.486682} H3 3179 -1 1 {} H 0.0 {0.563318 0.432408 0.500393} H4 3180 -1 1 {} H 0.0 {0.548743 0.400328 0.511843} H5 3181 -1 1 {} H 0.0 {0.535161 0.399209 0.504028} H6 3182 -1 1 {} H 0.0 {0.52962 0.432777 0.512387} H7 3183 -1 1 {} H 0.0 {0.537309 0.442686 0.50146} H8 3184 -1 1 {} H 0.0 {0.54791 0.432304 0.456712} H9 3185 -1 1 {} H 0.0 {0.561871 0.42589 0.460491} H10 3186 -1 1 {} H 0.0 {0.555406 0.398069 0.483346} H11 3187 -1 1 {} H 0.0 {0.556992 0.395782 0.466972} H12 3188 -1 1 {} H 0.0 {0.527104 0.405651 0.464276} H13 3189 -1 1 {} H 0.0 {0.532349 0.414583 0.452164} H14 3190 -1 1 {} H 0.0 {0.535829 0.387519 0.450664} H15 3191 -1 1 {} H 0.0 {0.52018 0.346774 0.439416} H16 3192 -1 1 {} H 0.0 {0.507872 0.374684 0.41084} H17 3193 -1 1 {} H 0.0 {0.532997 0.34953 0.453016} H18 3194 -1 1 {} H 0.0 {0.514011 0.381773 0.432507} H19 3195 -1 1 {} H 0.0 {0.500872 0.417079 0.504501} H20 3196 -1 1 {} H 0.0 {0.514804 0.410479 0.507513} H21 3197 -1 1 {} H 0.0 {0.512718 0.426706 0.465044} H22 3198 -1 14 {} Si 0.0 {0.411856 0.471696 0.509567} Si1 3199 -1 8 {} O 0.0 {0.40681 0.484155 0.518106} O1 3200 -1 14 {} Si 0.0 {0.406569 0.494059 0.530129} Si2 3201 -1 8 {} O 0.0 {0.419091 0.492331 0.539664} O2 3202 -1 14 {} Si 0.0 {0.42695 0.481032 0.546212} Si3 3203 -1 7 {} N 0.0 {0.445534 0.487003 0.546262} N1 3204 -1 14 {} Si 0.0 {0.453953 0.485567 0.563858} Si4 3205 -1 14 {} Si 0.0 {0.452834 0.490693 0.532563} Si5 3206 -1 7 {} N 0.0 {0.440576 0.495514 0.576293} N2 3207 -1 7 {} N 0.0 {0.467962 0.492887 0.565473} N3 3208 -1 7 {} N 0.0 {0.454481 0.466567 0.568996} N4 3209 -1 7 {} N 0.0 {0.448733 0.507117 0.524816} N5 3210 -1 7 {} N 0.0 {0.471446 0.491342 0.533973} N6 3211 -1 7 {} N 0.0 {0.451035 0.477978 0.519615} N7 3212 -1 8 {} O 0.0 {0.400872 0.47349 0.498379} O3 3213 -1 6 {} C 0.0 {0.416811 0.455145 0.516638} C1 3214 -1 8 {} O 0.0 {0.425143 0.483155 0.498779} O4 3215 -1 7 {} N 0.0 {0.429637 0.462928 0.543246} N8 3216 -1 8 {} O 0.0 {0.41865 0.480201 0.560202} O5 3217 -1 1 {} H 0.0 {0.394333 0.491992 0.538076} H1 3218 -1 1 {} H 0.0 {0.406058 0.511153 0.525466} H2 3219 -1 1 {} H 0.0 {0.447241 0.500289 0.58259} H3 3220 -1 1 {} H 0.0 {0.437189 0.502756 0.569102} H4 3221 -1 1 {} H 0.0 {0.505846 0.469044 0.509423} H5 3222 -1 1 {} H 0.0 {0.476748 0.487707 0.565585} H6 3223 -1 1 {} H 0.0 {0.461939 0.466862 0.57588} H7 3224 -1 1 {} H 0.0 {0.446162 0.465408 0.574802} H8 3225 -1 1 {} H 0.0 {0.454576 0.506233 0.516458} H9 3226 -1 1 {} H 0.0 {0.438595 0.505772 0.521615} H10 3227 -1 1 {} H 0.0 {0.472844 0.493593 0.543616} H11 3228 -1 1 {} H 0.0 {0.474421 0.499473 0.528648} H12 3229 -1 1 {} H 0.0 {0.44605 0.47074 0.525114} H13 3230 -1 1 {} H 0.0 {0.443629 0.481022 0.513748} H14 3231 -1 1 {} H 0.0 {0.393217 0.468701 0.500825} H15 3232 -1 1 {} H 0.0 {0.418886 0.456374 0.527431} H16 3233 -1 1 {} H 0.0 {0.424857 0.452257 0.510267} H17 3234 -1 1 {} H 0.0 {0.408158 0.447984 0.515484} H18 3235 -1 1 {} H 0.0 {0.419101 0.485757 0.491775} H19 3236 -1 1 {} H 0.0 {0.439539 0.461557 0.543093} H20 3237 -1 1 {} H 0.0 {0.425433 0.458523 0.551025} H21 3238 -1 1 {} H 0.0 {0.424528 0.483927 0.567174} H22 3239 -1 14 {} Si 0.0 {0.567574 0.595991 0.454767} Si1 3240 -1 8 {} O 0.0 {0.554753 0.602145 0.461185} O1 3241 -1 14 {} Si 0.0 {0.539888 0.59953 0.466463} Si2 3242 -1 8 {} O 0.0 {0.534624 0.613806 0.463334} O2 3243 -1 14 {} Si 0.0 {0.533464 0.624977 0.452718} Si3 3244 -1 7 {} N 0.0 {0.528377 0.554962 0.470377} N1 3245 -1 14 {} Si 0.0 {0.519683 0.561276 0.482166} Si4 3246 -1 14 {} Si 0.0 {0.528668 0.556428 0.454425} Si5 3247 -1 7 {} N 0.0 {0.512861 0.547248 0.492151} N2 3248 -1 7 {} N 0.0 {0.502072 0.589147 0.478396} N3 3249 -1 7 {} N 0.0 {0.504506 0.573238 0.47628} N4 3250 -1 7 {} N 0.0 {0.527267 0.574928 0.448775} N5 3251 -1 7 {} N 0.0 {0.516321 0.546016 0.443914} N6 3252 -1 7 {} N 0.0 {0.54507 0.547342 0.447973} N7 3253 -1 8 {} O 0.0 {0.537249 0.59706 0.494837} O3 3254 -1 6 {} C 0.0 {0.543157 0.624329 0.486282} C1 3255 -1 8 {} O 0.0 {0.577062 0.598004 0.467078} O4 3256 -1 7 {} N 0.0 {0.53345 0.643635 0.456147} N8 3257 -1 8 {} O 0.0 {0.569892 0.586001 0.436689} O5 3258 -1 1 {} H 0.0 {0.5379 0.598066 0.482862} H1 3259 -1 1 {} H 0.0 {0.533019 0.588247 0.458157} H2 3260 -1 1 {} H 0.0 {0.518921 0.54762 0.500727} H3 3261 -1 1 {} H 0.0 {0.517141 0.539105 0.48702} H4 3262 -1 1 {} H 0.0 {0.501579 0.59145 0.488564} H5 3263 -1 1 {} H 0.0 {0.509666 0.594683 0.474476} H6 3264 -1 1 {} H 0.0 {0.505031 0.569729 0.46631} H7 3265 -1 1 {} H 0.0 {0.497283 0.567144 0.480698} H8 3266 -1 1 {} H 0.0 {0.531906 0.575978 0.439717} H9 3267 -1 1 {} H 0.0 {0.517133 0.575623 0.446745} H10 3268 -1 1 {} H 0.0 {0.509017 0.553353 0.443145} H11 3269 -1 1 {} H 0.0 {0.520977 0.546105 0.434931} H12 3270 -1 1 {} H 0.0 {0.548627 0.546641 0.45735} H13 3271 -1 1 {} H 0.0 {0.540412 0.538274 0.446434} H14 3272 -1 1 {} H 0.0 {0.546079 0.598243 0.498403} H15 3273 -1 1 {} H 0.0 {0.54095 0.628831 0.477117} H16 3274 -1 1 {} H 0.0 {0.535324 0.618269 0.489507} H17 3275 -1 1 {} H 0.0 {0.552679 0.619716 0.485992} H18 3276 -1 1 {} H 0.0 {0.578112 0.607892 0.469036} H19 3277 -1 1 {} H 0.0 {0.52417 0.644705 0.459818} H20 3278 -1 1 {} H 0.0 {0.532642 0.646973 0.446493} H21 3279 -1 1 {} H 0.0 {0.579246 0.583169 0.436813} H22 3280 -1 14 {} Si 0.0 {0.616628 0.654139 0.453996} Si1 3281 -1 8 {} O 0.0 {0.599212 0.659056 0.463624} O1 3282 -1 14 {} Si 0.0 {0.603585 0.679423 0.45997} Si2 3283 -1 8 {} O 0.0 {0.615505 0.669951 0.453941} O2 3284 -1 14 {} Si 0.0 {0.567502 0.638011 0.511793} Si3 3285 -1 7 {} N 0.0 {0.555532 0.625578 0.509826} N1 3286 -1 14 {} Si 0.0 {0.545122 0.638779 0.49833} Si4 3287 -1 14 {} Si 0.0 {0.564166 0.613277 0.517168} Si5 3288 -1 7 {} N 0.0 {0.528229 0.64339 0.507477} N2 3289 -1 7 {} N 0.0 {0.558129 0.651321 0.507743} N3 3290 -1 7 {} N 0.0 {0.544033 0.653037 0.482958} N4 3291 -1 7 {} N 0.0 {0.578519 0.617811 0.528811} N5 3292 -1 7 {} N 0.0 {0.552799 0.605475 0.530394} N6 3293 -1 7 {} N 0.0 {0.56903 0.600944 0.504726} N7 3294 -1 8 {} O 0.0 {0.627654 0.650406 0.463681} O3 3295 -1 6 {} C 0.0 {0.653802 0.633974 0.457593} C1 3296 -1 8 {} O 0.0 {0.618882 0.652238 0.438691} O4 3297 -1 7 {} N 0.0 {0.605308 0.553949 0.559998} N8 3298 -1 8 {} O 0.0 {0.579972 0.630881 0.495733} O5 3299 -1 1 {} H 0.0 {0.595629 0.686889 0.448053} H1 3300 -1 1 {} H 0.0 {0.680005 0.518804 0.475548} H2 3301 -1 1 {} H 0.0 {0.532461 0.648583 0.515397} H3 3302 -1 1 {} H 0.0 {0.525468 0.649973 0.500518} H4 3303 -1 1 {} H 0.0 {0.521612 0.529663 0.585343} H5 3304 -1 1 {} H 0.0 {0.56205 0.655775 0.499322} H6 3305 -1 1 {} H 0.0 {0.551522 0.651287 0.47627} H7 3306 -1 1 {} H 0.0 {0.535671 0.649524 0.478435} H8 3307 -1 1 {} H 0.0 {0.580834 0.607857 0.53077} H9 3308 -1 1 {} H 0.0 {0.573993 0.621235 0.537647} H10 3309 -1 1 {} H 0.0 {0.549662 0.613698 0.534946} H11 3310 -1 1 {} H 0.0 {0.560048 0.601653 0.536648} H12 3311 -1 1 {} H 0.0 {0.577934 0.59858 0.509045} H13 3312 -1 1 {} H 0.0 {0.562876 0.593417 0.508625} H14 3313 -1 1 {} H 0.0 {0.633867 0.658198 0.465405} H15 3314 -1 1 {} H 0.0 {0.646472 0.629104 0.45131} H16 3315 -1 1 {} H 0.0 {0.669195 0.622812 0.449074} H17 3316 -1 1 {} H 0.0 {0.649969 0.633431 0.467261} H18 3317 -1 1 {} H 0.0 {0.611564 0.655306 0.433309} H19 3318 -1 1 {} H 0.0 {0.615648 0.552823 0.559155} H20 3319 -1 1 {} H 0.0 {0.591842 0.578251 0.526317} H21 3320 -1 1 {} H 0.0 {0.576741 0.632126 0.486202} H22 3321 -1 14 {} Si 0.0 {0.534093 0.377724 0.626216} Si1 3322 -1 8 {} O 0.0 {0.548477 0.376208 0.618791} O1 3323 -1 14 {} Si 0.0 {0.560925 0.382869 0.613128} Si2 3324 -1 8 {} O 0.0 {0.562023 0.397729 0.618686} O2 3325 -1 14 {} Si 0.0 {0.515579 0.454894 0.615591} Si3 3326 -1 7 {} N 0.0 {0.513395 0.446495 0.628889} N1 3327 -1 14 {} Si 0.0 {0.442059 0.398353 0.711902} Si4 3328 -1 14 {} Si 0.0 {0.468175 0.444991 0.637767} Si5 3329 -1 7 {} N 0.0 {0.347456 0.50678 0.635091} N2 3330 -1 7 {} N 0.0 {0.580541 0.398856 0.657599} N3 3331 -1 7 {} N 0.0 {0.0811388 0.483771 0.321622} N4 3332 -1 7 {} N 0.0 {0.477348 0.457183 0.646207} N5 3333 -1 7 {} N 0.0 {0.482049 0.442075 0.622831} N6 3334 -1 7 {} N 0.0 {0.467809 0.43149 0.651861} N7 3335 -1 8 {} O 0.0 {0.54279 0.391323 0.639702} O3 3336 -1 6 {} C 0.0 {0.524527 0.363296 0.631042} C1 3337 -1 8 {} O 0.0 {0.530597 0.388304 0.613991} O4 3338 -1 7 {} N 0.0 {0.565832 0.470657 0.573284} N8 3339 -1 8 {} O 0.0 {0.601801 0.393047 0.610188} O5 3340 -1 1 {} H 0.0 {0.560299 0.382526 0.598825} H1 3341 -1 1 {} H 0.0 {0.573088 0.375496 0.616327} H2 3342 -1 1 {} H 0.0 {0.356878 0.50256 0.635575} H3 3343 -1 1 {} H 0.0 {0.342535 0.503151 0.642945} H4 3344 -1 1 {} H 0.0 {0.595676 0.385702 0.612622} H5 3345 -1 1 {} H 0.0 {0.450694 0.391222 0.706026} H6 3346 -1 1 {} H 0.0 {0.0851531 0.479456 0.313999} H7 3347 -1 1 {} H 0.0 {0.0853693 0.480951 0.330677} H8 3348 -1 1 {} H 0.0 {0.472118 0.466043 0.645168} H9 3349 -1 1 {} H 0.0 {0.476857 0.454906 0.656405} H10 3350 -1 1 {} H 0.0 {0.487609 0.436089 0.628519} H11 3351 -1 1 {} H 0.0 {0.488055 0.450925 0.622458} H12 3352 -1 1 {} H 0.0 {0.459022 0.426573 0.651339} H13 3353 -1 1 {} H 0.0 {0.474811 0.425894 0.648735} H14 3354 -1 1 {} H 0.0 {0.551356 0.394276 0.634321} H15 3355 -1 1 {} H 0.0 {0.515167 0.365151 0.627219} H16 3356 -1 1 {} H 0.0 {0.525 0.362036 0.641593} H17 3357 -1 1 {} H 0.0 {0.536109 0.342902 0.640914} H18 3358 -1 1 {} H 0.0 {0.526877 0.383838 0.606221} H19 3359 -1 1 {} H 0.0 {0.56775 0.460183 0.574181} H20 3360 -1 1 {} H 0.0 {0.561855 0.472526 0.582206} H21 3361 -1 1 {} H 0.0 {0.560859 0.424335 0.626922} H22 3362 -1 14 {} Si 0.0 {0.907888 0.818668 0.880235} Si1 3363 -1 8 {} O 0.0 {0.900355 0.82395 0.861867} O1 3364 -1 14 {} Si 0.0 {0.892138 0.81137 0.855207} Si2 3365 -1 8 {} O 0.0 {0.897661 0.803228 0.884657} O2 3366 -1 14 {} Si 0.0 {0.526454 0.244854 0.535542} Si3 3367 -1 7 {} N 0.0 {0.529791 0.253461 0.522355} N1 3368 -1 14 {} Si 0.0 {0.352032 0.415867 0.305386} Si4 3369 -1 14 {} Si 0.0 {0.445555 0.379232 0.681124} Si5 3370 -1 7 {} N 0.0 {0.304594 0.430831 0.352205} N2 3371 -1 7 {} N 0.0 {0.368857 0.40842 0.308784} N3 3372 -1 7 {} N 0.0 {0.353796 0.429589 0.294468} N4 3373 -1 7 {} N 0.0 {0.451706 0.37036 0.669721} N5 3374 -1 7 {} N 0.0 {0.452503 0.316048 0.668814} N6 3375 -1 7 {} N 0.0 {0.413679 0.3752 0.704129} N7 3376 -1 8 {} O 0.0 {0.915256 0.836537 0.896326} O3 3377 -1 6 {} C 0.0 {0.922439 0.825009 0.886395} C1 3378 -1 8 {} O 0.0 {0.989624 0.305509 0.887419} O4 3379 -1 7 {} N 0.0 {0.36952 0.380509 0.58635} N8 3380 -1 8 {} O 0.0 {0.519976 0.230029 0.537436} O5 3381 -1 1 {} H 0.0 {0.994921 0.929404 0.820012} H1 3382 -1 1 {} H 0.0 {0.385233 0.560592 0.51666} H2 3383 -1 1 {} H 0.0 {0.29833 0.42718 0.359731} H3 3384 -1 1 {} H 0.0 {0.30329 0.423938 0.344674} H4 3385 -1 1 {} H 0.0 {0.372494 0.412298 0.31794} H5 3386 -1 1 {} H 0.0 {0.367354 0.398573 0.309974} H6 3387 -1 1 {} H 0.0 {0.34811 0.438199 0.295595} H7 3388 -1 1 {} H 0.0 {0.353718 0.426345 0.285209} H8 3389 -1 1 {} H 0.0 {0.448467 0.37773 0.308588} H9 3390 -1 1 {} H 0.0 {0.46135 0.368801 0.668961} H10 3391 -1 1 {} H 0.0 {0.447176 0.3101 0.675122} H11 3392 -1 1 {} H 0.0 {0.462677 0.314143 0.668657} H12 3393 -1 1 {} H 0.0 {0.373827 0.492057 0.620121} H13 3394 -1 1 {} H 0.0 {0.876953 0.483553 0.230152} H14 3395 -1 1 {} H 0.0 {0.910138 0.829815 0.904945} H15 3396 -1 1 {} H 0.0 {0.931569 0.819804 0.890529} H16 3397 -1 1 {} H 0.0 {0.923493 0.840909 0.901415} H17 3398 -1 1 {} H 0.0 {0.929788 0.826984 0.878041} H18 3399 -1 1 {} H 0.0 {0.989096 0.301915 0.89576} H19 3400 -1 1 {} H 0.0 {0.363914 0.385211 0.594069} H20 3401 -1 1 {} H 0.0 {0.377266 0.386268 0.583613} H21 3402 -1 1 {} H 0.0 {0.314424 0.429637 0.355757} H22 3403 -1 14 {} Si 0.0 {0.417085 0.581261 0.568956} Si1 3404 -1 8 {} O 0.0 {0.432144 0.581985 0.571933} O1 3405 -1 14 {} Si 0.0 {0.446405 0.575735 0.573617} Si2 3406 -1 8 {} O 0.0 {0.436132 0.548106 0.56993} O2 3407 -1 14 {} Si 0.0 {0.429202 0.546066 0.583669} Si3 3408 -1 7 {} N 0.0 {0.462282 0.58143 0.571822} N1 3409 -1 14 {} Si 0.0 {0.491314 0.559459 0.584143} Si4 3410 -1 14 {} Si 0.0 {0.478567 0.577257 0.571308} Si5 3411 -1 7 {} N 0.0 {0.466668 0.548037 0.553439} N2 3412 -1 7 {} N 0.0 {0.487094 0.547465 0.595909} N3 3413 -1 7 {} N 0.0 {0.509342 0.638004 0.479627} N4 3414 -1 7 {} N 0.0 {0.461319 0.597038 0.568349} N5 3415 -1 7 {} N 0.0 {0.490221 0.585932 0.561479} N6 3416 -1 7 {} N 0.0 {0.485388 0.577653 0.590609} N7 3417 -1 8 {} O 0.0 {0.415956 0.56284 0.577431} O3 3418 -1 6 {} C 0.0 {0.409339 0.587242 0.552813} C1 3419 -1 8 {} O 0.0 {0.412574 0.587514 0.582923} O4 3420 -1 7 {} N 0.0 {0.524229 0.629389 0.675436} N8 3421 -1 8 {} O 0.0 {0.509392 0.581328 0.621312} O5 3422 -1 1 {} H 0.0 {0.424041 0.574157 0.591065} H1 3423 -1 1 {} H 0.0 {0.417401 0.621354 0.547694} H2 3424 -1 1 {} H 0.0 {0.487707 0.534205 0.620516} H3 3425 -1 1 {} H 0.0 {0.497284 0.558853 0.506086} H4 3426 -1 1 {} H 0.0 {0.49626 0.542069 0.595417} H5 3427 -1 1 {} H 0.0 {0.480006 0.540135 0.59565} H6 3428 -1 1 {} H 0.0 {0.510275 0.640542 0.489902} H7 3429 -1 1 {} H 0.0 {0.501448 0.631727 0.479821} H8 3430 -1 1 {} H 0.0 {0.465721 0.599217 0.559335} H9 3431 -1 1 {} H 0.0 {0.451736 0.599964 0.567742} H10 3432 -1 1 {} H 0.0 {0.484144 0.590892 0.55404} H11 3433 -1 1 {} H 0.0 {0.495919 0.579768 0.555952} H12 3434 -1 1 {} H 0.0 {0.482598 0.575786 0.600356} H13 3435 -1 1 {} H 0.0 {0.494536 0.582988 0.590398} H14 3436 -1 1 {} H 0.0 {0.409607 0.558853 0.572555} H15 3437 -1 1 {} H 0.0 {0.404302 0.578574 0.54855} H16 3438 -1 1 {} H 0.0 {0.41676 0.591634 0.546476} H17 3439 -1 1 {} H 0.0 {0.402437 0.593385 0.556601} H18 3440 -1 1 {} H 0.0 {0.420041 0.592617 0.586614} H19 3441 -1 1 {} H 0.0 {0.527751 0.620124 0.672774} H20 3442 -1 1 {} H 0.0 {0.530394 0.634924 0.669901} H21 3443 -1 1 {} H 0.0 {0.501662 0.586678 0.620972} H22 3444 -1 14 {} Si 0.0 {0.392944 0.523461 0.41704} Si1 3445 -1 8 {} O 0.0 {0.392478 0.533896 0.404029} O1 3446 -1 14 {} Si 0.0 {0.400997 0.546186 0.397777} Si2 3447 -1 8 {} O 0.0 {0.390792 0.557043 0.395125} O2 3448 -1 14 {} Si 0.0 {0.378079 0.564105 0.400313} Si3 3449 -1 7 {} N 0.0 {0.363155 0.564629 0.387379} N1 3450 -1 14 {} Si 0.0 {0.347716 0.559124 0.387909} Si4 3451 -1 14 {} Si 0.0 {0.366042 0.565278 0.372149} Si5 3452 -1 7 {} N 0.0 {0.337272 0.564376 0.372005} N2 3453 -1 7 {} N 0.0 {0.341274 0.568347 0.40397} N3 3454 -1 7 {} N 0.0 {0.348237 0.540718 0.391825} N4 3455 -1 7 {} N 0.0 {0.367694 0.581645 0.361407} N5 3456 -1 7 {} N 0.0 {0.363607 0.533728 0.45026} N6 3457 -1 7 {} N 0.0 {0.380342 0.552706 0.366937} N7 3458 -1 8 {} O 0.0 {0.403953 0.53373 0.423467} O3 3459 -1 6 {} C 0.0 {0.395569 0.504987 0.416324} C1 3460 -1 8 {} O 0.0 {0.378842 0.529949 0.422745} O4 3461 -1 7 {} N 0.0 {0.381142 0.583468 0.405736} N8 3462 -1 8 {} O 0.0 {0.37469 0.557638 0.414258} O5 3463 -1 1 {} H 0.0 {0.407392 0.541589 0.384913} H1 3464 -1 1 {} H 0.0 {0.411969 0.551152 0.408041} H2 3465 -1 1 {} H 0.0 {0.33844 0.574618 0.373693} H3 3466 -1 1 {} H 0.0 {0.327975 0.562958 0.376311} H4 3467 -1 1 {} H 0.0 {0.346246 0.562892 0.410368} H5 3468 -1 1 {} H 0.0 {0.331627 0.564475 0.403976} H6 3469 -1 1 {} H 0.0 {0.342834 0.536181 0.384935} H7 3470 -1 1 {} H 0.0 {0.357995 0.538778 0.392513} H8 3471 -1 1 {} H 0.0 {0.37693 0.579351 0.356973} H9 3472 -1 1 {} H 0.0 {0.370124 0.588667 0.367922} H10 3473 -1 1 {} H 0.0 {0.360014 0.536818 0.440925} H11 3474 -1 1 {} H 0.0 {0.357403 0.538847 0.456776} H12 3475 -1 1 {} H 0.0 {0.375001 0.544244 0.364611} H13 3476 -1 1 {} H 0.0 {0.384454 0.550648 0.37625} H14 3477 -1 1 {} H 0.0 {0.39936 0.538899 0.430104} H15 3478 -1 1 {} H 0.0 {0.405392 0.502576 0.41503} H16 3479 -1 1 {} H 0.0 {0.390795 0.50232 0.407393} H17 3480 -1 1 {} H 0.0 {0.383119 0.497536 0.424896} H18 3481 -1 1 {} H 0.0 {0.372528 0.522798 0.42248} H19 3482 -1 1 {} H 0.0 {0.38802 0.583372 0.413695} H20 3483 -1 1 {} H 0.0 {0.372434 0.584575 0.411155} H21 3484 -1 1 {} H 0.0 {0.379104 0.548533 0.414239} H22 3485 -1 14 {} Si 0.0 {0.501125 0.500707 0.412493} Si1 3486 -1 8 {} O 0.0 {0.491187 0.491982 0.404136} O1 3487 -1 14 {} Si 0.0 {0.477589 0.484947 0.401202} Si2 3488 -1 8 {} O 0.0 {0.479561 0.477384 0.387841} O2 3489 -1 14 {} Si 0.0 {0.48563 0.467292 0.377449} Si3 3490 -1 7 {} N 0.0 {0.479527 0.464105 0.362971} N1 3491 -1 14 {} Si 0.0 {0.465897 0.460393 0.354833} Si4 3492 -1 14 {} Si 0.0 {0.492624 0.459895 0.347622} Si5 3493 -1 7 {} N 0.0 {0.45172 0.46522 0.369304} N2 3494 -1 7 {} N 0.0 {0.462821 0.440863 0.353528} N3 3495 -1 7 {} N 0.0 {0.461123 0.470575 0.339587} N4 3496 -1 7 {} N 0.0 {0.494961 0.471495 0.336875} N5 3497 -1 7 {} N 0.0 {0.509438 0.457756 0.357479} N6 3498 -1 7 {} N 0.0 {0.488751 0.443605 0.338022} N7 3499 -1 8 {} O 0.0 {0.503203 0.488868 0.422364} O3 3500 -1 6 {} C 0.0 {0.498129 0.518542 0.418038} C1 3501 -1 8 {} O 0.0 {0.517758 0.495103 0.400883} O4 3502 -1 7 {} N 0.0 {0.440924 0.46947 0.309489} N8 3503 -1 8 {} O 0.0 {0.498065 0.460553 0.384661} O5 3504 -1 1 {} H 0.0 {0.467549 0.495849 0.40086} H1 3505 -1 1 {} H 0.0 {0.472962 0.476306 0.413416} H2 3506 -1 1 {} H 0.0 {0.443338 0.462482 0.36436} H3 3507 -1 1 {} H 0.0 {0.450813 0.475254 0.370208} H4 3508 -1 1 {} H 0.0 {0.454036 0.440294 0.348895} H5 3509 -1 1 {} H 0.0 {0.460688 0.43851 0.363334} H6 3510 -1 1 {} H 0.0 {0.469209 0.47223 0.334106} H7 3511 -1 1 {} H 0.0 {0.455739 0.463653 0.334359} H8 3512 -1 1 {} H 0.0 {0.425543 0.4637 0.345696} H9 3513 -1 1 {} H 0.0 {0.494394 0.469456 0.327083} H10 3514 -1 1 {} H 0.0 {0.514093 0.449446 0.35382} H11 3515 -1 1 {} H 0.0 {0.505955 0.457226 0.367113} H12 3516 -1 1 {} H 0.0 {0.481643 0.437808 0.343658} H13 3517 -1 1 {} H 0.0 {0.483578 0.447458 0.330092} H14 3518 -1 1 {} H 0.0 {0.499132 0.492626 0.430817} H15 3519 -1 1 {} H 0.0 {0.491629 0.518849 0.426651} H16 3520 -1 1 {} H 0.0 {0.495042 0.525299 0.410149} H17 3521 -1 1 {} H 0.0 {0.508072 0.52046 0.419932} H18 3522 -1 1 {} H 0.0 {0.520499 0.486194 0.404619} H19 3523 -1 1 {} H 0.0 {0.441469 0.475823 0.317641} H20 3524 -1 1 {} H 0.0 {0.43086 0.468729 0.308161} H21 3525 -1 1 {} H 0.0 {0.495657 0.453726 0.391666} H22 3526 -1 14 {} Si 0.0 {0.437812 0.417211 0.593711} Si1 3527 -1 8 {} O 0.0 {0.430256 0.42544 0.58287} O1 3528 -1 14 {} Si 0.0 {0.425895 0.436833 0.573521} Si2 3529 -1 8 {} O 0.0 {0.439398 0.442306 0.569132} O2 3530 -1 14 {} Si 0.0 {0.441362 0.454892 0.631353} Si3 3531 -1 7 {} N 0.0 {0.463021 0.431538 0.602545} N1 3532 -1 14 {} Si 0.0 {0.448834 0.438974 0.602321} Si4 3533 -1 14 {} Si 0.0 {0.469998 0.427481 0.616034} Si5 3534 -1 7 {} N 0.0 {0.520533 0.451538 0.575833} N2 3535 -1 7 {} N 0.0 {0.467516 0.440982 0.572036} N3 3536 -1 7 {} N 0.0 {0.571354 0.443213 0.589849} N4 3537 -1 7 {} N 0.0 {0.48362 0.412896 0.611577} N5 3538 -1 7 {} N 0.0 {0.458612 0.419094 0.629052} N6 3539 -1 7 {} N 0.0 {0.498039 0.419607 0.606745} N7 3540 -1 8 {} O 0.0 {0.497401 0.343783 0.550429} O3 3541 -1 6 {} C 0.0 {0.430951 0.408519 0.607089} C1 3542 -1 8 {} O 0.0 {0.428694 0.422515 0.616763} O4 3543 -1 7 {} N 0.0 {0.495348 0.381999 0.602781} N8 3544 -1 8 {} O 0.0 {0.440197 0.469327 0.638851} O5 3545 -1 1 {} H 0.0 {0.415671 0.46276 0.568438} H1 3546 -1 1 {} H 0.0 {0.418031 0.432676 0.562514} H2 3547 -1 1 {} H 0.0 {0.527097 0.455248 0.568275} H3 3548 -1 1 {} H 0.0 {0.526133 0.443817 0.579604} H4 3549 -1 1 {} H 0.0 {0.50303 0.423655 0.614812} H5 3550 -1 1 {} H 0.0 {0.530215 0.473903 0.487804} H6 3551 -1 1 {} H 0.0 {0.558286 0.403894 0.612083} H7 3552 -1 1 {} H 0.0 {0.455339 0.802474 0.237178} H8 3553 -1 1 {} H 0.0 {0.484975 0.405363 0.618767} H9 3554 -1 1 {} H 0.0 {0.477741 0.408683 0.603961} H10 3555 -1 1 {} H 0.0 {0.460846 0.408969 0.627372} H11 3556 -1 1 {} H 0.0 {0.4497 0.420827 0.623994} H12 3557 -1 1 {} H 0.0 {0.428769 0.450472 0.606193} H13 3558 -1 1 {} H 0.0 {0.496062 0.428514 0.602158} H14 3559 -1 1 {} H 0.0 {0.498083 0.345169 0.541389} H15 3560 -1 1 {} H 0.0 {0.38235 0.44245 0.483796} H16 3561 -1 1 {} H 0.0 {0.423144 0.403288 0.602772} H17 3562 -1 1 {} H 0.0 {0.438256 0.401384 0.611344} H18 3563 -1 1 {} H 0.0 {0.419608 0.42563 0.613016} H19 3564 -1 1 {} H 0.0 {0.431039 0.447474 0.638826} H20 3565 -1 1 {} H 0.0 {0.494438 0.391072 0.608131} H21 3566 -1 1 {} H 0.0 {0.410198 0.457635 0.58485} H22 3567 -1 14 {} Si 0.0 {0.364225 0.619211 0.505762} Si1 3568 -1 8 {} O 0.0 {0.353942 0.609905 0.511839} O1 3569 -1 14 {} Si 0.0 {0.33396 0.615407 0.492864} Si2 3570 -1 8 {} O 0.0 {0.321436 0.617891 0.501843} O2 3571 -1 14 {} Si 0.0 {0.350135 0.671325 0.547576} Si3 3572 -1 7 {} N 0.0 {0.342581 0.656914 0.558407} N1 3573 -1 14 {} Si 0.0 {0.335231 0.642964 0.571793} Si4 3574 -1 14 {} Si 0.0 {0.359542 0.654914 0.56847} Si5 3575 -1 7 {} N 0.0 {0.331524 0.647312 0.587403} N2 3576 -1 7 {} N 0.0 {0.333278 0.623357 0.564325} N3 3577 -1 7 {} N 0.0 {0.320005 0.648452 0.575707} N4 3578 -1 7 {} N 0.0 {0.707157 0.378054 0.375525} N5 3579 -1 7 {} N 0.0 {0.362158 0.667568 0.577966} N6 3580 -1 7 {} N 0.0 {0.309568 0.314303 0.576477} N7 3581 -1 8 {} O 0.0 {0.337449 0.590673 0.508969} O3 3582 -1 6 {} C 0.0 {0.371289 0.633983 0.511777} C1 3583 -1 8 {} O 0.0 {0.355914 0.618124 0.488239} O4 3584 -1 7 {} N 0.0 {0.356875 0.666055 0.533465} N8 3585 -1 8 {} O 0.0 {0.353081 0.683172 0.557002} O5 3586 -1 1 {} H 0.0 {0.370004 0.595647 0.53761} H1 3587 -1 1 {} H 0.0 {0.329844 0.604296 0.484508} H2 3588 -1 1 {} H 0.0 {0.712175 0.603186 0.536949} H3 3589 -1 1 {} H 0.0 {0.330814 0.638718 0.593763} H4 3590 -1 1 {} H 0.0 {0.332414 0.619263 0.574447} H5 3591 -1 1 {} H 0.0 {0.323025 0.624031 0.563223} H6 3592 -1 1 {} H 0.0 {0.332051 0.319632 0.368699} H7 3593 -1 1 {} H 0.0 {0.36142 0.686772 0.553424} H8 3594 -1 1 {} H 0.0 {0.71449 0.379204 0.368703} H9 3595 -1 1 {} H 0.0 {0.703299 0.369204 0.372526} H10 3596 -1 1 {} H 0.0 {0.358704 0.677041 0.574399} H11 3597 -1 1 {} H 0.0 {0.711098 0.588924 0.5422} H12 3598 -1 1 {} H 0.0 {0.303812 0.314014 0.585399} H13 3599 -1 1 {} H 0.0 {0.279644 0.377962 0.339418} H14 3600 -1 1 {} H 0.0 {0.343087 0.589282 0.501461} H15 3601 -1 1 {} H 0.0 {0.366049 0.642604 0.508043} H16 3602 -1 1 {} H 0.0 {0.37224 0.6336 0.522579} H17 3603 -1 1 {} H 0.0 {0.390667 0.657679 0.542137} H18 3604 -1 1 {} H 0.0 {0.361944 0.613415 0.482888} H19 3605 -1 1 {} H 0.0 {0.358794 0.655796 0.534465} H20 3606 -1 1 {} H 0.0 {0.383818 0.71305 0.505394} H21 3607 -1 1 {} H 0.0 {0.318699 0.657387 0.570723} H22 3608 -1 14 {} Si 0.0 {0.416331 0.592497 0.644448} Si1 3609 -1 8 {} O 0.0 {0.418926 0.582455 0.65706} O1 3610 -1 14 {} Si 0.0 {0.41699 0.569199 0.665974} Si2 3611 -1 8 {} O 0.0 {0.430364 0.55905 0.665019} O2 3612 -1 14 {} Si 0.0 {0.431245 0.544266 0.658355} Si3 3613 -1 7 {} N 0.0 {0.41335 0.536218 0.656872} N1 3614 -1 14 {} Si 0.0 {0.398843 0.546262 0.652049} Si4 3615 -1 14 {} Si 0.0 {0.406815 0.524459 0.666037} Si5 3616 -1 7 {} N 0.0 {0.40549 0.558578 0.637868} N2 3617 -1 7 {} N 0.0 {0.390076 0.553126 0.667725} N3 3618 -1 7 {} N 0.0 {0.383295 0.537283 0.642019} N4 3619 -1 7 {} N 0.0 {0.388312 0.520398 0.668208} N5 3620 -1 7 {} N 0.0 {0.417345 0.506648 0.661639} N6 3621 -1 7 {} N 0.0 {0.412042 0.527861 0.684009} N7 3622 -1 8 {} O 0.0 {0.400939 0.595009 0.647766} O3 3623 -1 6 {} C 0.0 {0.423405 0.58933 0.628042} C1 3624 -1 8 {} O 0.0 {0.422903 0.606324 0.657716} O4 3625 -1 7 {} N 0.0 {0.438804 0.533554 0.669932} N8 3626 -1 8 {} O 0.0 {0.439221 0.548065 0.64299} O5 3627 -1 1 {} H 0.0 {0.407717 0.558216 0.658908} H1 3628 -1 1 {} H 0.0 {0.412473 0.571475 0.679539} H2 3629 -1 1 {} H 0.0 {0.410755 0.565326 0.643096} H3 3630 -1 1 {} H 0.0 {0.412207 0.551374 0.634276} H4 3631 -1 1 {} H 0.0 {0.394171 0.546496 0.674553} H5 3632 -1 1 {} H 0.0 {0.380884 0.548045 0.666532} H6 3633 -1 1 {} H 0.0 {0.388409 0.531431 0.635505} H7 3634 -1 1 {} H 0.0 {0.38222 0.530967 0.650072} H8 3635 -1 1 {} H 0.0 {0.387546 0.519881 0.678399} H9 3636 -1 1 {} H 0.0 {0.386784 0.510342 0.664488} H10 3637 -1 1 {} H 0.0 {0.42031 0.505249 0.651552} H11 3638 -1 1 {} H 0.0 {0.408196 0.501306 0.662067} H12 3639 -1 1 {} H 0.0 {0.419495 0.520629 0.684457} H13 3640 -1 1 {} H 0.0 {0.416422 0.536821 0.682911} H14 3641 -1 1 {} H 0.0 {0.398903 0.598957 0.656723} H15 3642 -1 1 {} H 0.0 {0.416184 0.586313 0.621561} H16 3643 -1 1 {} H 0.0 {0.429953 0.580687 0.629702} H17 3644 -1 1 {} H 0.0 {0.430392 0.604987 0.628593} H18 3645 -1 1 {} H 0.0 {0.424779 0.599791 0.664757} H19 3646 -1 1 {} H 0.0 {0.432755 0.525413 0.671579} H20 3647 -1 1 {} H 0.0 {0.448063 0.53111 0.667489} H21 3648 -1 1 {} H 0.0 {0.447244 0.553212 0.644941} H22 3649 -1 14 {} Si 0.0 {0.332189 0.348146 0.603918} Si1 3650 -1 8 {} O 0.0 {0.329413 0.334884 0.596201} O1 3651 -1 14 {} Si 0.0 {0.325689 0.323009 0.586997} Si2 3652 -1 8 {} O 0.0 {0.340173 0.320466 0.579633} O2 3653 -1 14 {} Si 0.0 {0.355636 0.319784 0.581461} Si3 3654 -1 7 {} N 0.0 {0.360754 0.3087 0.592348} N1 3655 -1 14 {} Si 0.0 {0.357517 0.296095 0.582431} Si4 3656 -1 14 {} Si 0.0 {0.36364 0.302458 0.607193} Si5 3657 -1 7 {} N 0.0 {0.632668 0.0746167 0.409203} N2 3658 -1 7 {} N 0.0 {0.372202 0.289619 0.572095} N3 3659 -1 7 {} N 0.0 {0.714566 0.365838 0.459107} N4 3660 -1 7 {} N 0.0 {0.352348 0.303427 0.618727} N5 3661 -1 7 {} N 0.0 {0.30834 0.627933 0.602556} N6 3662 -1 7 {} N 0.0 {0.38157 0.299433 0.613629} N7 3663 -1 8 {} O 0.0 {0.347311 0.345356 0.604741} O3 3664 -1 6 {} C 0.0 {0.322085 0.35469 0.622261} C1 3665 -1 8 {} O 0.0 {0.332098 0.358444 0.591943} O4 3666 -1 7 {} N 0.0 {0.701461 0.296438 0.543517} N8 3667 -1 8 {} O 0.0 {0.669229 0.271726 0.568418} O5 3668 -1 1 {} H 0.0 {0.322058 0.310576 0.59898} H1 3669 -1 1 {} H 0.0 {0.384099 0.306531 0.620289} H2 3670 -1 1 {} H 0.0 {0.632122 0.0700852 0.399933} H3 3671 -1 1 {} H 0.0 {0.343688 0.567706 0.337926} H4 3672 -1 1 {} H 0.0 {0.373194 0.295291 0.563698} H5 3673 -1 1 {} H 0.0 {0.379827 0.292642 0.578384} H6 3674 -1 1 {} H 0.0 {0.712801 0.371127 0.450911} H7 3675 -1 1 {} H 0.0 {0.711954 0.372274 0.466667} H8 3676 -1 1 {} H 0.0 {0.35548 0.308655 0.626539} H9 3677 -1 1 {} H 0.0 {0.605055 0.272708 0.529686} H10 3678 -1 1 {} H 0.0 {0.73105 0.659891 0.564702} H11 3679 -1 1 {} H 0.0 {0.306503 0.631843 0.612195} H12 3680 -1 1 {} H 0.0 {0.299076 0.625815 0.598873} H13 3681 -1 1 {} H 0.0 {0.386429 0.301162 0.604339} H14 3682 -1 1 {} H 0.0 {0.352289 0.347488 0.597385} H15 3683 -1 1 {} H 0.0 {0.312534 0.359538 0.619747} H16 3684 -1 1 {} H 0.0 {0.321607 0.346545 0.629247} H17 3685 -1 1 {} H 0.0 {0.374334 0.332041 0.635568} H18 3686 -1 1 {} H 0.0 {0.329504 0.353516 0.58315} H19 3687 -1 1 {} H 0.0 {0.709042 0.291341 0.538749} H20 3688 -1 1 {} H 0.0 {0.70099 0.305274 0.538488} H21 3689 -1 1 {} H 0.0 {0.458909 0.277419 0.578402} H22 3690 -1 14 {} Si 0.0 {0.324113 0.539692 0.510409} Si1 3691 -1 8 {} O 0.0 {0.327056 0.529889 0.497931} O1 3692 -1 14 {} Si 0.0 {0.335992 0.52403 0.486802} Si2 3693 -1 8 {} O 0.0 {0.351441 0.525684 0.489473} O2 3694 -1 14 {} Si 0.0 {0.363377 0.530075 0.497758} Si3 3695 -1 7 {} N 0.0 {0.380856 0.524073 0.491004} N1 3696 -1 14 {} Si 0.0 {0.383099 0.507295 0.490526} Si4 3697 -1 14 {} Si 0.0 {0.390928 0.535473 0.484412} Si5 3698 -1 7 {} N 0.0 {0.39815 0.498573 0.48317} N2 3699 -1 7 {} N 0.0 {0.365982 0.49892 0.491862} N3 3700 -1 7 {} N 0.0 {0.386373 0.501501 0.509045} N4 3701 -1 7 {} N 0.0 {0.403326 0.527993 0.471824} N5 3702 -1 7 {} N 0.0 {0.380505 0.548239 0.474407} N6 3703 -1 7 {} N 0.0 {0.40356 0.544427 0.49606} N7 3704 -1 8 {} O 0.0 {0.336048 0.549991 0.511306} O3 3705 -1 6 {} C 0.0 {0.315704 0.531438 0.525566} C1 3706 -1 8 {} O 0.0 {0.316712 0.550776 0.501099} O4 3707 -1 7 {} N 0.0 {0.36394 0.522176 0.515501} N8 3708 -1 8 {} O 0.0 {0.359954 0.545686 0.496518} O5 3709 -1 1 {} H 0.0 {0.333315 0.529104 0.472185} H1 3710 -1 1 {} H 0.0 {0.332458 0.508097 0.486282} H2 3711 -1 1 {} H 0.0 {0.396609 0.497341 0.472897} H3 3712 -1 1 {} H 0.0 {0.398176 0.488884 0.487078} H4 3713 -1 1 {} H 0.0 {0.360355 0.506029 0.48715} H5 3714 -1 1 {} H 0.0 {0.362634 0.499625 0.501769} H6 3715 -1 1 {} H 0.0 {0.395851 0.497364 0.506804} H7 3716 -1 1 {} H 0.0 {0.380979 0.49337 0.510782} H8 3717 -1 1 {} H 0.0 {0.400589 0.533829 0.463764} H9 3718 -1 1 {} H 0.0 {0.399167 0.51947 0.469615} H10 3719 -1 1 {} H 0.0 {0.37136 0.543678 0.475447} H11 3720 -1 1 {} H 0.0 {0.382098 0.5565 0.480331} H12 3721 -1 1 {} H 0.0 {0.412292 0.542607 0.490699} H13 3722 -1 1 {} H 0.0 {0.403545 0.538707 0.503725} H14 3723 -1 1 {} H 0.0 {0.342688 0.546719 0.504686} H15 3724 -1 1 {} H 0.0 {0.312064 0.539822 0.531702} H16 3725 -1 1 {} H 0.0 {0.324513 0.527964 0.530622} H17 3726 -1 1 {} H 0.0 {0.308448 0.524309 0.522402} H18 3727 -1 1 {} H 0.0 {0.318198 0.548477 0.491864} H19 3728 -1 1 {} H 0.0 {0.356496 0.514949 0.514896} H20 3729 -1 1 {} H 0.0 {0.372718 0.517458 0.514913} H21 3730 -1 1 {} H 0.0 {0.357157 0.548002 0.487332} H22 3731 -1 14 {} Si 0.0 {0.457395 0.574861 0.312939} Si1 3732 -1 8 {} O 0.0 {0.453753 0.569597 0.298688} O1 3733 -1 14 {} Si 0.0 {0.455898 0.561314 0.285399} Si2 3734 -1 8 {} O 0.0 {0.470268 0.554779 0.287208} O2 3735 -1 14 {} Si 0.0 {0.481375 0.54996 0.296963} Si3 3736 -1 7 {} N 0.0 {0.496137 0.556209 0.29564} N1 3737 -1 14 {} Si 0.0 {0.495036 0.572938 0.297343} Si4 3738 -1 14 {} Si 0.0 {0.50105 0.596802 0.665508} Si5 3739 -1 7 {} N 0.0 {0.510719 0.593558 0.289755} N2 3740 -1 7 {} N 0.0 {0.503529 0.580291 0.285105} N3 3741 -1 7 {} N 0.0 {0.497201 0.417557 0.644138} N4 3742 -1 7 {} N 0.0 {0.502382 0.602763 0.647591} N5 3743 -1 7 {} N 0.0 {0.575631 0.602891 0.693736} N6 3744 -1 7 {} N 0.0 {0.490615 0.605592 0.673278} N7 3745 -1 8 {} O 0.0 {0.451418 0.589907 0.310439} O3 3746 -1 6 {} C 0.0 {0.468164 0.56739 0.32646} C1 3747 -1 8 {} O 0.0 {0.437883 0.500574 0.375968} O4 3748 -1 7 {} N 0.0 {0.480647 0.533372 0.306109} N8 3749 -1 8 {} O 0.0 {0.4891 0.578739 0.310562} O5 3750 -1 1 {} H 0.0 {0.457416 0.57007 0.273359} H1 3751 -1 1 {} H 0.0 {0.443786 0.551713 0.284605} H2 3752 -1 1 {} H 0.0 {0.515802 0.59838 0.282418} H3 3753 -1 1 {} H 0.0 {0.517097 0.593964 0.297779} H4 3754 -1 1 {} H 0.0 {0.510297 0.573692 0.280222} H5 3755 -1 1 {} H 0.0 {0.583987 0.60732 0.695876} H6 3756 -1 1 {} H 0.0 {0.502716 0.425631 0.641664} H7 3757 -1 1 {} H 0.0 {0.491348 0.416726 0.635673} H8 3758 -1 1 {} H 0.0 {0.492819 0.604753 0.644824} H9 3759 -1 1 {} H 0.0 {0.518149 0.548838 0.303686} H10 3760 -1 1 {} H 0.0 {0.574013 0.595417 0.700755} H11 3761 -1 1 {} H 0.0 {0.577316 0.598642 0.683858} H12 3762 -1 1 {} H 0.0 {0.231075 0.553056 0.394009} H13 3763 -1 1 {} H 0.0 {0.480243 0.606773 0.669957} H14 3764 -1 1 {} H 0.0 {0.449642 0.608733 0.322832} H15 3765 -1 1 {} H 0.0 {0.463581 0.558189 0.329182} H16 3766 -1 1 {} H 0.0 {0.466889 0.57371 0.335031} H17 3767 -1 1 {} H 0.0 {0.477968 0.565755 0.323037} H18 3768 -1 1 {} H 0.0 {0.445202 0.497713 0.370616} H19 3769 -1 1 {} H 0.0 {0.470986 0.531473 0.307435} H20 3770 -1 1 {} H 0.0 {0.483935 0.536255 0.315019} H21 3771 -1 1 {} H 0.0 {0.489536 0.588559 0.311415} H22 3772 -1 14 {} Si 0.0 {0.333161 0.635662 0.627048} Si1 3773 -1 8 {} O 0.0 {0.336036 0.652242 0.626488} O1 3774 -1 14 {} Si 0.0 {0.330465 0.666173 0.633067} Si2 3775 -1 8 {} O 0.0 {0.317135 0.659878 0.636943} O2 3776 -1 14 {} Si 0.0 {0.718767 0.608914 0.579006} Si3 3777 -1 7 {} N 0.0 {0.347955 0.597538 0.561386} N1 3778 -1 14 {} Si 0.0 {0.33489 0.604314 0.556308} Si4 3779 -1 14 {} Si 0.0 {0.700523 0.594533 0.580229} Si5 3780 -1 7 {} N 0.0 {0.318116 0.596037 0.560509} N2 3781 -1 7 {} N 0.0 {0.697217 0.609147 0.521321} N3 3782 -1 7 {} N 0.0 {0.334289 0.607421 0.535719} N4 3783 -1 7 {} N 0.0 {0.353683 0.727786 0.689962} N5 3784 -1 7 {} N 0.0 {0.691644 0.589527 0.566009} N6 3785 -1 7 {} N 0.0 {0.707207 0.578598 0.59088} N7 3786 -1 8 {} O 0.0 {0.355898 0.625472 0.612491} O3 3787 -1 6 {} C 0.0 {0.346947 0.618233 0.637131} C1 3788 -1 8 {} O 0.0 {0.317756 0.637426 0.628582} O4 3789 -1 7 {} N 0.0 {0.729872 0.599805 0.569902} N8 3790 -1 8 {} O 0.0 {0.719626 0.610341 0.594304} O5 3791 -1 1 {} H 0.0 {0.311307 0.636249 0.597457} H1 3792 -1 1 {} H 0.0 {0.337539 0.664521 0.644157} H2 3793 -1 1 {} H 0.0 {0.320039 0.589751 0.568116} H3 3794 -1 1 {} H 0.0 {0.314792 0.591907 0.551921} H4 3795 -1 1 {} H 0.0 {0.690915 0.616488 0.517285} H5 3796 -1 1 {} H 0.0 {0.69076 0.602581 0.525462} H6 3797 -1 1 {} H 0.0 {0.332305 0.6173 0.536117} H7 3798 -1 1 {} H 0.0 {0.325271 0.602775 0.535411} H8 3799 -1 1 {} H 0.0 {0.678885 0.537564 0.439631} H9 3800 -1 1 {} H 0.0 {0.344998 0.733192 0.688408} H10 3801 -1 1 {} H 0.0 {0.692819 0.579367 0.565507} H11 3802 -1 1 {} H 0.0 {0.698156 0.594237 0.558712} H12 3803 -1 1 {} H 0.0 {0.717175 0.579043 0.588151} H13 3804 -1 1 {} H 0.0 {0.707323 0.582859 0.600597} H14 3805 -1 1 {} H 0.0 {0.354298 0.626263 0.602861} H15 3806 -1 1 {} H 0.0 {0.340621 0.614352 0.644923} H16 3807 -1 1 {} H 0.0 {0.354072 0.624289 0.641232} H17 3808 -1 1 {} H 0.0 {0.351886 0.609698 0.632192} H18 3809 -1 1 {} H 0.0 {0.316295 0.648502 0.632067} H19 3810 -1 1 {} H 0.0 {0.730789 0.590166 0.572074} H20 3811 -1 1 {} H 0.0 {0.725896 0.600417 0.560141} H21 3812 -1 1 {} H 0.0 {0.719897 0.620511 0.595958} H22 3813 -1 14 {} Si 0.0 {0.426151 0.49604 0.588634} Si1 3814 -1 8 {} O 0.0 {0.429045 0.483444 0.597503} O1 3815 -1 14 {} Si 0.0 {0.390386 0.475396 0.571501} Si2 3816 -1 8 {} O 0.0 {0.398769 0.484082 0.612735} O2 3817 -1 14 {} Si 0.0 {0.401323 0.498329 0.618954} Si3 3818 -1 7 {} N 0.0 {0.396252 0.510887 0.609296} N1 3819 -1 14 {} Si 0.0 {0.382143 0.515382 0.603106} Si4 3820 -1 14 {} Si 0.0 {0.405173 0.528844 0.60746} Si5 3821 -1 7 {} N 0.0 {0.381534 0.524348 0.585134} N2 3822 -1 7 {} N 0.0 {0.368452 0.523555 0.616666} N3 3823 -1 7 {} N 0.0 {0.373126 0.498677 0.598068} N4 3824 -1 7 {} N 0.0 {0.392432 0.543511 0.610227} N5 3825 -1 7 {} N 0.0 {0.416456 0.531489 0.622904} N6 3826 -1 7 {} N 0.0 {0.412456 0.53696 0.589607} N7 3827 -1 8 {} O 0.0 {0.427019 0.509111 0.597862} O3 3828 -1 6 {} C 0.0 {0.411342 0.429843 0.638359} C1 3829 -1 8 {} O 0.0 {0.410204 0.495353 0.586803} O4 3830 -1 7 {} N 0.0 {0.418051 0.501371 0.627192} N8 3831 -1 8 {} O 0.0 {0.371324 0.488879 0.628964} O5 3832 -1 1 {} H 0.0 {0.390073 0.469155 0.634387} H1 3833 -1 1 {} H 0.0 {0.400425 0.482953 0.578831} H2 3834 -1 1 {} H 0.0 {0.372811 0.529803 0.585901} H3 3835 -1 1 {} H 0.0 {0.388245 0.531126 0.587414} H4 3836 -1 1 {} H 0.0 {0.364501 0.530202 0.610089} H5 3837 -1 1 {} H 0.0 {0.362519 0.514853 0.615959} H6 3838 -1 1 {} H 0.0 {0.3818 0.492581 0.598352} H7 3839 -1 1 {} H 0.0 {0.371625 0.500679 0.588126} H8 3840 -1 1 {} H 0.0 {0.385006 0.539885 0.615289} H9 3841 -1 1 {} H 0.0 {0.398782 0.547685 0.617359} H10 3842 -1 1 {} H 0.0 {0.412833 0.526312 0.631268} H11 3843 -1 1 {} H 0.0 {0.424827 0.526572 0.620099} H12 3844 -1 1 {} H 0.0 {0.405927 0.544664 0.588926} H13 3845 -1 1 {} H 0.0 {0.409513 0.52969 0.583853} H14 3846 -1 1 {} H 0.0 {0.432954 0.516038 0.593197} H15 3847 -1 1 {} H 0.0 {0.405009 0.433661 0.631012} H16 3848 -1 1 {} H 0.0 {0.417633 0.421966 0.635657} H17 3849 -1 1 {} H 0.0 {0.382676 0.443119 0.491347} H18 3850 -1 1 {} H 0.0 {0.405327 0.498019 0.59522} H19 3851 -1 1 {} H 0.0 {0.423268 0.504305 0.619007} H20 3852 -1 1 {} H 0.0 {0.422472 0.492274 0.629977} H21 3853 -1 1 {} H 0.0 {0.485162 0.280494 0.527723} H22 3854 -1 14 {} Si 0.0 {0.330934 0.433291 0.502853} Si1 3855 -1 8 {} O 0.0 {0.314276 0.393262 0.439906} O1 3856 -1 14 {} Si 0.0 {0.30835 0.397286 0.453891} Si2 3857 -1 8 {} O 0.0 {0.307732 0.383745 0.460931} O2 3858 -1 14 {} Si 0.0 {0.312374 0.380188 0.475296} Si3 3859 -1 7 {} N 0.0 {0.324951 0.37707 0.485408} N1 3860 -1 14 {} Si 0.0 {0.338119 0.381341 0.477864} Si4 3861 -1 14 {} Si 0.0 {0.328406 0.3717 0.500786} Si5 3862 -1 7 {} N 0.0 {0.346314 0.398778 0.481086} N2 3863 -1 7 {} N 0.0 {0.351833 0.367743 0.472908} N3 3864 -1 7 {} N 0.0 {0.360434 0.338291 0.476285} N4 3865 -1 7 {} N 0.0 {0.915783 0.488018 0.425401} N5 3866 -1 7 {} N 0.0 {0.372639 0.32087 0.435129} N6 3867 -1 7 {} N 0.0 {0.336649 0.3806 0.511148} N7 3868 -1 8 {} O 0.0 {0.343079 0.434321 0.513373} O3 3869 -1 6 {} C 0.0 {0.343488 0.433884 0.449494} C1 3870 -1 8 {} O 0.0 {0.340729 0.432994 0.490169} O4 3871 -1 7 {} N 0.0 {0.322612 0.456224 0.459401} N8 3872 -1 8 {} O 0.0 {0.317126 0.4011 0.471447} O5 3873 -1 1 {} H 0.0 {0.32212 0.388319 0.440985} H1 3874 -1 1 {} H 0.0 {0.294419 0.402005 0.452452} H2 3875 -1 1 {} H 0.0 {0.349112 0.398057 0.490642} H3 3876 -1 1 {} H 0.0 {0.337861 0.404231 0.480518} H4 3877 -1 1 {} H 0.0 {0.35851 0.375279 0.470712} H5 3878 -1 1 {} H 0.0 {0.353776 0.365511 0.482105} H6 3879 -1 1 {} H 0.0 {0.353599 0.337325 0.469253} H7 3880 -1 1 {} H 0.0 {0.369368 0.336516 0.471808} H8 3881 -1 1 {} H 0.0 {0.317812 0.392436 0.568459} H9 3882 -1 1 {} H 0.0 {0.917569 0.495336 0.433336} H10 3883 -1 1 {} H 0.0 {0.368404 0.329109 0.438649} H11 3884 -1 1 {} H 0.0 {0.367335 0.316313 0.427486} H12 3885 -1 1 {} H 0.0 {0.345381 0.385424 0.508915} H13 3886 -1 1 {} H 0.0 {0.71424 0.660456 0.748766} H14 3887 -1 1 {} H 0.0 {0.386308 0.464238 0.464588} H15 3888 -1 1 {} H 0.0 {0.347955 0.430649 0.458489} H16 3889 -1 1 {} H 0.0 {0.335807 0.44068 0.451086} H17 3890 -1 1 {} H 0.0 {0.340635 0.425436 0.44403} H18 3891 -1 1 {} H 0.0 {0.388823 0.352296 0.495579} H19 3892 -1 1 {} H 0.0 {0.313534 0.457304 0.454561} H20 3893 -1 1 {} H 0.0 {0.323109 0.446926 0.46292} H21 3894 -1 1 {} H 0.0 {0.319515 0.477027 0.473047} H22 3895 -1 14 {} Si 0.0 {0.416055 0.329708 0.498836} Si1 3896 -1 8 {} O 0.0 {0.42688 0.341119 0.500588} O1 3897 -1 14 {} Si 0.0 {0.43858 0.349121 0.505969} Si2 3898 -1 8 {} O 0.0 {0.43614 0.351601 0.521288} O2 3899 -1 14 {} Si 0.0 {0.427373 0.350857 0.533877} Si3 3900 -1 7 {} N 0.0 {0.439445 0.354694 0.548573} N1 3901 -1 14 {} Si 0.0 {0.448205 0.348184 0.560549} Si4 3902 -1 14 {} Si 0.0 {0.440424 0.371521 0.548436} Si5 3903 -1 7 {} N 0.0 {0.440608 0.328788 0.562643} N2 3904 -1 7 {} N 0.0 {0.445423 0.355722 0.577806} N3 3905 -1 7 {} N 0.0 {0.467604 0.346556 0.559442} N4 3906 -1 7 {} N 0.0 {0.447561 0.378949 0.531371} N5 3907 -1 7 {} N 0.0 {0.421723 0.379819 0.55137} N6 3908 -1 7 {} N 0.0 {0.454445 0.378215 0.560464} N7 3909 -1 8 {} O 0.0 {0.404926 0.339654 0.494673} O3 3910 -1 6 {} C 0.0 {0.412436 0.314776 0.514179} C1 3911 -1 8 {} O 0.0 {0.419835 0.325774 0.484746} O4 3912 -1 7 {} N 0.0 {0.415948 0.334736 0.54125} N8 3913 -1 8 {} O 0.0 {0.415708 0.360404 0.529463} O5 3914 -1 1 {} H 0.0 {0.439163 0.363254 0.499957} H1 3915 -1 1 {} H 0.0 {0.451796 0.340469 0.50535} H2 3916 -1 1 {} H 0.0 {0.446568 0.323336 0.556104} H3 3917 -1 1 {} H 0.0 {0.430637 0.328125 0.560009} H4 3918 -1 1 {} H 0.0 {0.442952 0.346719 0.582986} H5 3919 -1 1 {} H 0.0 {0.436868 0.361327 0.576311} H6 3920 -1 1 {} H 0.0 {0.468912 0.336223 0.559417} H7 3921 -1 1 {} H 0.0 {0.468867 0.349316 0.569052} H8 3922 -1 1 {} H 0.0 {0.439531 0.385907 0.531311} H9 3923 -1 1 {} H 0.0 {0.444757 0.371759 0.524967} H10 3924 -1 1 {} H 0.0 {0.418686 0.375314 0.560764} H11 3925 -1 1 {} H 0.0 {0.417032 0.374318 0.543327} H12 3926 -1 1 {} H 0.0 {0.461593 0.384094 0.555245} H13 3927 -1 1 {} H 0.0 {0.459083 0.369032 0.561836} H14 3928 -1 1 {} H 0.0 {0.4038 0.339734 0.48475} H15 3929 -1 1 {} H 0.0 {0.417597 0.305917 0.512192} H16 3930 -1 1 {} H 0.0 {0.401391 0.314043 0.514272} H17 3931 -1 1 {} H 0.0 {0.416754 0.320977 0.52081} H18 3932 -1 1 {} H 0.0 {0.425041 0.332387 0.478889} H19 3933 -1 1 {} H 0.0 {0.407142 0.33501 0.535995} H20 3934 -1 1 {} H 0.0 {0.41459 0.338518 0.550596} H21 3935 -1 1 {} H 0.0 {0.408029 0.355424 0.526263} H22 3936 -1 14 {} Si 0.0 {0.363438 0.351046 0.647383} Si1 3937 -1 8 {} O 0.0 {0.365088 0.351811 0.662893} O1 3938 -1 14 {} Si 0.0 {0.382225 0.702616 0.676398} Si2 3939 -1 8 {} O 0.0 {0.377403 0.688262 0.679891} O2 3940 -1 14 {} Si 0.0 {0.370747 0.676231 0.673029} Si3 3941 -1 7 {} N 0.0 {0.354841 0.676843 0.661424} N1 3942 -1 14 {} Si 0.0 {0.346596 0.662694 0.656498} Si4 3943 -1 14 {} Si 0.0 {0.347305 0.689906 0.654759} Si5 3944 -1 7 {} N 0.0 {0.361162 0.650535 0.650499} N2 3945 -1 7 {} N 0.0 {0.679183 0.57238 0.674477} N3 3946 -1 7 {} N 0.0 {0.336818 0.653082 0.669977} N4 3947 -1 7 {} N 0.0 {0.358306 0.702952 0.645388} N5 3948 -1 7 {} N 0.0 {0.336865 0.684869 0.637578} N6 3949 -1 7 {} N 0.0 {0.335104 0.699135 0.666958} N7 3950 -1 8 {} O 0.0 {0.376642 0.358437 0.641984} O3 3951 -1 6 {} C 0.0 {0.353505 0.334874 0.633807} C1 3952 -1 8 {} O 0.0 {0.368532 0.331988 0.642891} O4 3953 -1 7 {} N 0.0 {0.369639 0.66129 0.684694} N8 3954 -1 8 {} O 0.0 {0.383915 0.672755 0.664516} O5 3955 -1 1 {} H 0.0 {0.367824 0.711681 0.675925} H1 3956 -1 1 {} H 0.0 {0.388055 0.701766 0.660355} H2 3957 -1 1 {} H 0.0 {0.368568 0.656519 0.65373} H3 3958 -1 1 {} H 0.0 {0.360178 0.653392 0.640583} H4 3959 -1 1 {} H 0.0 {0.673703 0.580431 0.671481} H5 3960 -1 1 {} H 0.0 {0.673982 0.569544 0.683307} H6 3961 -1 1 {} H 0.0 {0.344058 0.64785 0.674402} H7 3962 -1 1 {} H 0.0 {0.331836 0.647043 0.663768} H8 3963 -1 1 {} H 0.0 {0.357184 0.710733 0.651516} H9 3964 -1 1 {} H 0.0 {0.352057 0.705984 0.637571} H10 3965 -1 1 {} H 0.0 {0.344626 0.686297 0.630687} H11 3966 -1 1 {} H 0.0 {0.32942 0.690727 0.63307} H12 3967 -1 1 {} H 0.0 {0.326256 0.6966 0.661997} H13 3968 -1 1 {} H 0.0 {0.334023 0.69199 0.674109} H14 3969 -1 1 {} H 0.0 {0.377732 0.358775 0.632314} H15 3970 -1 1 {} H 0.0 {0.348092 0.342564 0.629336} H16 3971 -1 1 {} H 0.0 {0.346306 0.329285 0.639431} H17 3972 -1 1 {} H 0.0 {0.357165 0.328552 0.625456} H18 3973 -1 1 {} H 0.0 {0.373599 0.35611 0.664967} H19 3974 -1 1 {} H 0.0 {0.363603 0.65477 0.679506} H20 3975 -1 1 {} H 0.0 {0.378865 0.657068 0.683246} H21 3976 -1 1 {} H 0.0 {0.382306 0.674822 0.65517} H22 3977 -1 14 {} Si 0.0 {0.341627 0.421736 0.346351} Si1 3978 -1 8 {} O 0.0 {0.353666 0.416762 0.355515} O1 3979 -1 14 {} Si 0.0 {0.367624 0.420306 0.362174} Si2 3980 -1 8 {} O 0.0 {0.379306 0.420593 0.351592} O2 3981 -1 14 {} Si 0.0 {0.385482 0.425185 0.338282} Si3 3982 -1 7 {} N 0.0 {0.401258 0.43717 0.340395} N1 3983 -1 14 {} Si 0.0 {0.412337 0.437994 0.328085} Si4 3984 -1 14 {} Si 0.0 {0.403016 0.44994 0.350028} Si5 3985 -1 7 {} N 0.0 {0.431146 0.439102 0.332984} N2 3986 -1 7 {} N 0.0 {0.408217 0.454162 0.31513} N3 3987 -1 7 {} N 0.0 {0.412315 0.42096 0.317465} N4 3988 -1 7 {} N 0.0 {0.388631 0.447752 0.362671} N5 3989 -1 7 {} N 0.0 {0.418862 0.450627 0.361818} N6 3990 -1 7 {} N 0.0 {0.398229 0.466803 0.343398} N7 3991 -1 8 {} O 0.0 {0.334217 0.42999 0.358137} O3 3992 -1 6 {} C 0.0 {0.343381 0.431261 0.322104} C1 3993 -1 8 {} O 0.0 {0.351133 0.435978 0.337866} O4 3994 -1 7 {} N 0.0 {0.377928 0.437327 0.325638} N8 3995 -1 8 {} O 0.0 {0.386102 0.411294 0.33132} O5 3996 -1 1 {} H 0.0 {0.37221 0.411354 0.374673} H1 3997 -1 1 {} H 0.0 {0.367805 0.435292 0.366521} H2 3998 -1 1 {} H 0.0 {0.432006 0.435203 0.341895} H3 3999 -1 1 {} H 0.0 {0.434678 0.431737 0.326699} H4 4000 -1 1 {} H 0.0 {0.417154 0.458843 0.316413} H5 4001 -1 1 {} H 0.0 {0.401623 0.459959 0.320839} H6 4002 -1 1 {} H 0.0 {0.412217 0.425159 0.308281} H7 4003 -1 1 {} H 0.0 {0.402044 0.418486 0.318616} H8 4004 -1 1 {} H 0.0 {0.381255 0.454156 0.359915} H9 4005 -1 1 {} H 0.0 {0.3853 0.438309 0.359317} H10 4006 -1 1 {} H 0.0 {0.42623 0.445645 0.357466} H11 4007 -1 1 {} H 0.0 {0.413792 0.444466 0.36802} H12 4008 -1 1 {} H 0.0 {0.398091 0.472548 0.351279} H13 4009 -1 1 {} H 0.0 {0.405655 0.470711 0.33689} H14 4010 -1 1 {} H 0.0 {0.336856 0.439518 0.357316} H15 4011 -1 1 {} H 0.0 {0.33361 0.434305 0.319682} H16 4012 -1 1 {} H 0.0 {0.340071 0.415627 0.315942} H17 4013 -1 1 {} H 0.0 {0.3506 0.437359 0.317425} H18 4014 -1 1 {} H 0.0 {0.360323 0.432365 0.335935} H19 4015 -1 1 {} H 0.0 {0.378104 0.445239 0.331696} H20 4016 -1 1 {} H 0.0 {0.385838 0.438151 0.319405} H21 4017 -1 1 {} H 0.0 {0.394241 0.406891 0.331938} H22 4018 -1 14 {} Si 0.0 {0.390253 0.606938 0.333921} Si1 4019 -1 8 {} O 0.0 {0.395783 0.612178 0.347541} O1 4020 -1 14 {} Si 0.0 {0.394135 0.620477 0.36186} Si2 4021 -1 8 {} O 0.0 {0.379617 0.608844 0.376811} O2 4022 -1 14 {} Si 0.0 {0.403627 0.614934 0.400444} Si3 4023 -1 7 {} N 0.0 {0.43445 0.614975 0.432446} N1 4024 -1 14 {} Si 0.0 {0.382105 0.603722 0.402957} Si4 4025 -1 14 {} Si 0.0 {0.42919 0.627021 0.42393} Si5 4026 -1 7 {} N 0.0 {0.350483 0.574791 0.535651} N2 4027 -1 7 {} N 0.0 {0.366876 0.611745 0.407968} N3 4028 -1 7 {} N 0.0 {0.394783 0.614638 0.414061} N4 4029 -1 7 {} N 0.0 {0.422581 0.619273 0.40662} N5 4030 -1 7 {} N 0.0 {0.436351 0.615792 0.447203} N6 4031 -1 7 {} N 0.0 {0.415794 0.638527 0.432729} N7 4032 -1 8 {} O 0.0 {0.407808 0.614179 0.326222} O3 4033 -1 6 {} C 0.0 {0.374269 0.612592 0.326674} C1 4034 -1 8 {} O 0.0 {0.39444 0.590027 0.335235} O4 4035 -1 7 {} N 0.0 {0.363066 0.676175 0.391192} N8 4036 -1 8 {} O 0.0 {0.51348 0.692618 0.511734} O5 4037 -1 1 {} H 0.0 {0.404804 0.579306 0.3769} H1 4038 -1 1 {} H 0.0 {0.389554 0.576263 0.375191} H2 4039 -1 1 {} H 0.0 {0.360264 0.574184 0.532448} H3 4040 -1 1 {} H 0.0 {0.34908 0.584435 0.537699} H4 4041 -1 1 {} H 0.0 {0.36152 0.603307 0.41133} H5 4042 -1 1 {} H 0.0 {0.369493 0.617005 0.416569} H6 4043 -1 1 {} H 0.0 {0.372675 0.538059 0.452471} H7 4044 -1 1 {} H 0.0 {0.440052 0.549025 0.393848} H8 4045 -1 1 {} H 0.0 {0.427325 0.624834 0.399484} H9 4046 -1 1 {} H 0.0 {0.427155 0.610053 0.406988} H10 4047 -1 1 {} H 0.0 {0.435868 0.60583 0.450865} H11 4048 -1 1 {} H 0.0 {0.427828 0.619979 0.45206} H12 4049 -1 1 {} H 0.0 {0.417184 0.636883 0.442318} H13 4050 -1 1 {} H 0.0 {0.407385 0.633194 0.430737} H14 4051 -1 1 {} H 0.0 {0.414262 0.613123 0.333882} H15 4052 -1 1 {} H 0.0 {0.374269 0.610533 0.316796} H16 4053 -1 1 {} H 0.0 {0.372362 0.622693 0.330231} H17 4054 -1 1 {} H 0.0 {0.367377 0.605997 0.331635} H18 4055 -1 1 {} H 0.0 {0.404301 0.589896 0.33454} H19 4056 -1 1 {} H 0.0 {0.517653 0.688044 0.503489} H20 4057 -1 1 {} H 0.0 {0.888421 0.80721 0.885384} H21 4058 -1 1 {} H 0.0 {0.508592 0.685299 0.51582} H22 4059 -1 14 {} Si 0.0 {0.372936 0.464626 0.593527} Si1 4060 -1 8 {} O 0.0 {0.385309 0.469411 0.602058} O1 4061 -1 14 {} Si 0.0 {0.397428 0.468099 0.611733} Si2 4062 -1 8 {} O 0.0 {0.393485 0.460089 0.629732} O2 4063 -1 14 {} Si 0.0 {0.331223 0.367903 0.630735} Si3 4064 -1 7 {} N 0.0 {0.373509 0.39316 0.631537} N1 4065 -1 14 {} Si 0.0 {0.443913 0.404635 0.675182} Si4 4066 -1 14 {} Si 0.0 {0.327561 0.397278 0.630099} Si5 4067 -1 7 {} N 0.0 {0.431218 0.418947 0.683556} N2 4068 -1 7 {} N 0.0 {0.348281 0.362695 0.640574} N3 4069 -1 7 {} N 0.0 {0.430897 0.37328 0.683988} N4 4070 -1 7 {} N 0.0 {0.802378 0.0738309 0.116215} N5 4071 -1 7 {} N 0.0 {0.678477 0.530962 0.432248} N6 4072 -1 7 {} N 0.0 {0.315838 0.406548 0.622342} N7 4073 -1 8 {} O 0.0 {0.37796 0.471672 0.580293} O3 4074 -1 6 {} C 0.0 {0.366184 0.442418 0.594817} C1 4075 -1 8 {} O 0.0 {0.340104 0.428909 0.603527} O4 4076 -1 7 {} N 0.0 {0.394819 0.42401 0.6085} N8 4077 -1 8 {} O 0.0 {0.326084 0.382372 0.636273} O5 4078 -1 1 {} H 0.0 {0.991459 0.29083 0.918543} H1 4079 -1 1 {} H 0.0 {0.430773 0.486271 0.606736} H2 4080 -1 1 {} H 0.0 {0.42204 0.424787 0.683246} H3 4081 -1 1 {} H 0.0 {0.43757 0.425026 0.689168} H4 4082 -1 1 {} H 0.0 {0.34746 0.368205 0.649022} H5 4083 -1 1 {} H 0.0 {0.354717 0.368654 0.634492} H6 4084 -1 1 {} H 0.0 {0.14605 0.0697208 0.592216} H7 4085 -1 1 {} H 0.0 {0.795886 0.0784622 0.122492} H8 4086 -1 1 {} H 0.0 {0.799189 0.0774247 0.107267} H9 4087 -1 1 {} H 0.0 {0.800216 0.0636599 0.115854} H10 4088 -1 1 {} H 0.0 {0.672079 0.534625 0.425032} H11 4089 -1 1 {} H 0.0 {0.674253 0.522162 0.435612} H12 4090 -1 1 {} H 0.0 {0.319061 0.41471 0.617102} H13 4091 -1 1 {} H 0.0 {0.310532 0.400798 0.615598} H14 4092 -1 1 {} H 0.0 {0.369658 0.443407 0.565666} H15 4093 -1 1 {} H 0.0 {0.361772 0.471554 0.597593} H16 4094 -1 1 {} H 0.0 {0.371093 0.437747 0.586931} H17 4095 -1 1 {} H 0.0 {0.369205 0.438632 0.604606} H18 4096 -1 1 {} H 0.0 {0.330389 0.429204 0.599732} H19 4097 -1 1 {} H 0.0 {0.395428 0.419571 0.599084} H20 4098 -1 1 {} H 0.0 {0.389209 0.417374 0.614413} H21 4099 -1 1 {} H 0.0 {0.132489 0.0677513 0.625257} H22 4100 -1 14 {} Si 0.0 {0.402715 0.53165 0.544169} Si1 4101 -1 8 {} O 0.0 {0.389674 0.523252 0.54504} O1 4102 -1 14 {} Si 0.0 {0.377193 0.519372 0.553372} Si2 4103 -1 8 {} O 0.0 {0.377199 0.504535 0.550649} O2 4104 -1 14 {} Si 0.0 {0.380382 0.490417 0.545977} Si3 4105 -1 7 {} N 0.0 {0.368293 0.449529 0.556989} N1 4106 -1 14 {} Si 0.0 {0.380487 0.460142 0.55492} Si4 4107 -1 14 {} Si 0.0 {0.422372 0.44098 0.646249} Si5 4108 -1 7 {} N 0.0 {0.373449 0.471936 0.539792} N2 4109 -1 7 {} N 0.0 {0.353179 0.454744 0.556937} N3 4110 -1 7 {} N 0.0 {0.394852 0.452082 0.549817} N4 4111 -1 7 {} N 0.0 {0.413073 0.454901 0.575294} N5 4112 -1 7 {} N 0.0 {0.382806 0.486084 0.659895} N6 4113 -1 7 {} N 0.0 {0.421978 0.446496 0.662787} N7 4114 -1 8 {} O 0.0 {0.4036 0.523965 0.524437} O3 4115 -1 6 {} C 0.0 {0.415249 0.528414 0.558015} C1 4116 -1 8 {} O 0.0 {0.395461 0.545231 0.54195} O4 4117 -1 7 {} N 0.0 {0.36858 0.605566 0.539039} N8 4118 -1 8 {} O 0.0 {0.385107 0.485136 0.560582} O5 4119 -1 1 {} H 0.0 {0.363721 0.527123 0.546302} H1 4120 -1 1 {} H 0.0 {0.379628 0.520778 0.567377} H2 4121 -1 1 {} H 0.0 {0.367712 0.46556 0.534724} H3 4122 -1 1 {} H 0.0 {0.382622 0.471099 0.534771} H4 4123 -1 1 {} H 0.0 {0.346629 0.447441 0.554804} H5 4124 -1 1 {} H 0.0 {0.3515 0.461546 0.549364} H6 4125 -1 1 {} H 0.0 {0.394076 0.446267 0.541493} H7 4126 -1 1 {} H 0.0 {0.402456 0.459113 0.547866} H8 4127 -1 1 {} H 0.0 {0.405062 0.450001 0.571099} H9 4128 -1 1 {} H 0.0 {0.415569 0.517878 0.6021} H10 4129 -1 1 {} H 0.0 {0.375561 0.479054 0.656739} H11 4130 -1 1 {} H 0.0 {0.776847 0.946069 0.344024} H12 4131 -1 1 {} H 0.0 {0.420704 0.438456 0.669166} H13 4132 -1 1 {} H 0.0 {0.413764 0.452682 0.664158} H14 4133 -1 1 {} H 0.0 {0.394005 0.523479 0.522583} H15 4134 -1 1 {} H 0.0 {0.412551 0.519773 0.56363} H16 4135 -1 1 {} H 0.0 {0.415727 0.53642 0.56468} H17 4136 -1 1 {} H 0.0 {0.425357 0.526281 0.554775} H18 4137 -1 1 {} H 0.0 {0.39575 0.549976 0.550503} H19 4138 -1 1 {} H 0.0 {0.36285 0.606645 0.547121} H20 4139 -1 1 {} H 0.0 {0.363166 0.609221 0.531502} H21 4140 -1 1 {} H 0.0 {0.428169 0.527665 0.49846} H22 4141 -1 14 {} Si 0.0 {0.701411 0.619716 0.408453} Si1 4142 -1 8 {} O 0.0 {0.692313 0.633043 0.410869} O1 4143 -1 14 {} Si 0.0 {0.678971 0.64035 0.416631} Si2 4144 -1 8 {} O 0.0 {0.667195 0.631128 0.411264} O2 4145 -1 14 {} Si 0.0 {0.660239 0.620271 0.40199} Si3 4146 -1 7 {} N 0.0 {0.664014 0.602323 0.408177} N1 4147 -1 14 {} Si 0.0 {0.668866 0.587159 0.40477} Si4 4148 -1 14 {} Si 0.0 {0.658645 0.60229 0.423218} Si5 4149 -1 7 {} N 0.0 {0.66702 0.54328 0.373025} N2 4150 -1 7 {} N 0.0 {0.535466 0.29032 0.608042} N3 4151 -1 7 {} N 0.0 {0.640955 0.460603 0.347617} N4 4152 -1 7 {} N 0.0 {0.686511 0.585635 0.398879} N5 4153 -1 7 {} N 0.0 {0.59581 0.635265 0.358211} N6 4154 -1 7 {} N 0.0 {0.641651 0.593919 0.427651} N7 4155 -1 8 {} O 0.0 {0.693924 0.610026 0.418841} O3 4156 -1 6 {} C 0.0 {0.720718 0.621399 0.407094} C1 4157 -1 8 {} O 0.0 {0.693895 0.614925 0.395094} O4 4158 -1 7 {} N 0.0 {0.664729 0.62026 0.382776} N8 4159 -1 8 {} O 0.0 {0.645907 0.625754 0.407439} O5 4160 -1 1 {} H 0.0 {0.678142 0.654299 0.409944} H1 4161 -1 1 {} H 0.0 {0.677759 0.641284 0.431379} H2 4162 -1 1 {} H 0.0 {0.665652 0.536272 0.365115} H3 4163 -1 1 {} H 0.0 {0.665394 0.552721 0.368404} H4 4164 -1 1 {} H 0.0 {0.532951 0.286873 0.598801} H5 4165 -1 1 {} H 0.0 {0.54388 0.295927 0.605633} H6 4166 -1 1 {} H 0.0 {0.642456 0.456941 0.357087} H7 4167 -1 1 {} H 0.0 {0.631453 0.457868 0.344482} H8 4168 -1 1 {} H 0.0 {0.688683 0.595236 0.395896} H9 4169 -1 1 {} H 0.0 {0.686872 0.58048 0.390422} H10 4170 -1 1 {} H 0.0 {0.589427 0.629798 0.364135} H11 4171 -1 1 {} H 0.0 {0.59682 0.631039 0.348642} H12 4172 -1 1 {} H 0.0 {0.638593 0.600516 0.435134} H13 4173 -1 1 {} H 0.0 {0.635749 0.595683 0.420266} H14 4174 -1 1 {} H 0.0 {0.686464 0.605098 0.414092} H15 4175 -1 1 {} H 0.0 {0.724746 0.627626 0.415188} H16 4176 -1 1 {} H 0.0 {0.722136 0.625055 0.397661} H17 4177 -1 1 {} H 0.0 {0.725316 0.611788 0.407733} H18 4178 -1 1 {} H 0.0 {0.686817 0.620828 0.393075} H19 4179 -1 1 {} H 0.0 {0.668288 0.611051 0.381141} H20 4180 -1 1 {} H 0.0 {0.655858 0.620257 0.377781} H21 4181 -1 1 {} H 0.0 {0.642974 0.633899 0.402337} H22 4182 -1 14 {} Si 0.0 {0.496334 0.580041 0.352265} Si1 4183 -1 8 {} O 0.0 {0.500837 0.594028 0.358127} O1 4184 -1 14 {} Si 0.0 {0.512148 0.603879 0.362981} Si2 4185 -1 8 {} O 0.0 {0.511247 0.616644 0.355042} O2 4186 -1 14 {} Si 0.0 {0.50261 0.625836 0.345314} Si3 4187 -1 7 {} N 0.0 {0.506494 0.627089 0.326271} N1 4188 -1 14 {} Si 0.0 {0.492922 0.628638 0.315556} Si4 4189 -1 14 {} Si 0.0 {0.51935 0.626319 0.316323} Si5 4190 -1 7 {} N 0.0 {0.478956 0.639051 0.323496} N2 4191 -1 7 {} N 0.0 {0.484337 0.611811 0.311847} N3 4192 -1 7 {} N 0.0 {0.497448 0.637121 0.298293} N4 4193 -1 7 {} N 0.0 {0.514192 0.631491 0.298232} N5 4194 -1 7 {} N 0.0 {0.532323 0.637374 0.324984} N6 4195 -1 7 {} N 0.0 {0.52541 0.609101 0.315761} N7 4196 -1 8 {} O 0.0 {0.500667 0.571123 0.365005} O3 4197 -1 6 {} C 0.0 {0.502652 0.575522 0.335185} C1 4198 -1 8 {} O 0.0 {0.480316 0.579941 0.354913} O4 4199 -1 7 {} N 0.0 {0.505066 0.642855 0.35214} N8 4200 -1 8 {} O 0.0 {0.487601 0.620324 0.34887} O5 4201 -1 1 {} H 0.0 {0.525475 0.597225 0.361514} H1 4202 -1 1 {} H 0.0 {0.510179 0.60779 0.378731} H2 4203 -1 1 {} H 0.0 {0.479118 0.635816 0.333272} H3 4204 -1 1 {} H 0.0 {0.470176 0.635371 0.319704} H4 4205 -1 1 {} H 0.0 {0.476282 0.614197 0.305647} H5 4206 -1 1 {} H 0.0 {0.48124 0.610217 0.321793} H6 4207 -1 1 {} H 0.0 {0.49667 0.647216 0.298211} H7 4208 -1 1 {} H 0.0 {0.492484 0.634201 0.289831} H8 4209 -1 1 {} H 0.0 {0.513453 0.621274 0.294997} H9 4210 -1 1 {} H 0.0 {0.520769 0.636429 0.291992} H10 4211 -1 1 {} H 0.0 {0.534999 0.644491 0.317459} H11 4212 -1 1 {} H 0.0 {0.526892 0.642948 0.331226} H12 4213 -1 1 {} H 0.0 {0.528241 0.608436 0.325844} H13 4214 -1 1 {} H 0.0 {0.517809 0.603187 0.314744} H14 4215 -1 1 {} H 0.0 {0.493055 0.565382 0.367511} H15 4216 -1 1 {} H 0.0 {0.499317 0.582238 0.328033} H16 4217 -1 1 {} H 0.0 {0.500131 0.565205 0.333343} H17 4218 -1 1 {} H 0.0 {0.512951 0.575566 0.334513} H18 4219 -1 1 {} H 0.0 {0.477341 0.588962 0.353418} H19 4220 -1 1 {} H 0.0 {0.499318 0.649641 0.346779} H20 4221 -1 1 {} H 0.0 {0.515288 0.645299 0.351185} H21 4222 -1 1 {} H 0.0 {0.454434 0.596986 0.332047} H22 4223 -1 14 {} Si 0.0 {0.574651 0.341236 0.369019} Si1 4224 -1 8 {} O 0.0 {0.559445 0.337308 0.371723} O1 4225 -1 14 {} Si 0.0 {0.545849 0.342307 0.37686} Si2 4226 -1 8 {} O 0.0 {0.551667 0.350217 0.389939} O2 4227 -1 14 {} Si 0.0 {0.549892 0.363018 0.399494} Si3 4228 -1 7 {} N 0.0 {0.558689 0.37436 0.414487} N1 4229 -1 14 {} Si 0.0 {0.567848 0.367233 0.426005} Si4 4230 -1 14 {} Si 0.0 {0.55676 0.389745 0.419807} Si5 4231 -1 7 {} N 0.0 {0.575994 0.35171 0.417061} N2 4232 -1 7 {} N 0.0 {0.560879 0.361718 0.442118} N3 4233 -1 7 {} N 0.0 {0.58372 0.377919 0.430444} N4 4234 -1 7 {} N 0.0 {0.567049 0.401438 0.408103} N5 4235 -1 7 {} N 0.0 {0.536442 0.396215 0.418917} N6 4236 -1 7 {} N 0.0 {0.560501 0.394767 0.438397} N7 4237 -1 8 {} O 0.0 {0.579269 0.329086 0.360135} O3 4238 -1 6 {} C 0.0 {0.58623 0.347954 0.386166} C1 4239 -1 8 {} O 0.0 {0.57073 0.35016 0.35693} O4 4240 -1 7 {} N 0.0 {0.539513 0.354034 0.414} N8 4241 -1 8 {} O 0.0 {0.564342 0.369698 0.385875} O5 4242 -1 1 {} H 0.0 {0.538812 0.326514 0.385534} H1 4243 -1 1 {} H 0.0 {0.543575 0.352826 0.365527} H2 4244 -1 1 {} H 0.0 {0.571332 0.344161 0.422243} H3 4245 -1 1 {} H 0.0 {0.584693 0.352346 0.421804} H4 4246 -1 1 {} H 0.0 {0.55327 0.368329 0.445469} H5 4247 -1 1 {} H 0.0 {0.568124 0.363121 0.448759} H6 4248 -1 1 {} H 0.0 {0.582033 0.380105 0.440192} H7 4249 -1 1 {} H 0.0 {0.580843 0.386088 0.424672} H8 4250 -1 1 {} H 0.0 {0.571223 0.408444 0.414783} H9 4251 -1 1 {} H 0.0 {0.559595 0.406 0.402785} H10 4252 -1 1 {} H 0.0 {0.535277 0.390945 0.428337} H11 4253 -1 1 {} H 0.0 {0.535657 0.406007 0.422776} H12 4254 -1 1 {} H 0.0 {0.561957 0.385767 0.442774} H13 4255 -1 1 {} H 0.0 {0.551608 0.397701 0.44263} H14 4256 -1 1 {} H 0.0 {0.587331 0.325341 0.363514} H15 4257 -1 1 {} H 0.0 {0.591659 0.339555 0.390031} H16 4258 -1 1 {} H 0.0 {0.577794 0.350034 0.391524} H17 4259 -1 1 {} H 0.0 {0.598898 0.370902 0.371364} H18 4260 -1 1 {} H 0.0 {0.566024 0.345296 0.349544} H19 4261 -1 1 {} H 0.0 {0.546524 0.347876 0.417454} H20 4262 -1 1 {} H 0.0 {0.538065 0.36116 0.420793} H21 4263 -1 1 {} H 0.0 {0.563656 0.3629 0.379238} H22 4264 -1 14 {} Si 0.0 {0.475877 0.34734 0.513134} Si1 4265 -1 8 {} O 0.0 {0.477126 0.355515 0.500313} O1 4266 -1 14 {} Si 0.0 {0.481059 0.358561 0.485796} Si2 4267 -1 8 {} O 0.0 {0.49568 0.361321 0.487053} O2 4268 -1 14 {} Si 0.0 {0.509199 0.356351 0.482113} Si3 4269 -1 7 {} N 0.0 {0.522068 0.354104 0.497027} N1 4270 -1 14 {} Si 0.0 {0.521295 0.368383 0.510082} Si4 4271 -1 14 {} Si 0.0 {0.539171 0.356942 0.494982} Si5 4272 -1 7 {} N 0.0 {0.517404 0.384747 0.502191} N2 4273 -1 7 {} N 0.0 {0.533454 0.371637 0.522287} N3 4274 -1 7 {} N 0.0 {0.50692 0.363381 0.52249} N4 4275 -1 7 {} N 0.0 {0.543922 0.374134 0.490831} N5 4276 -1 7 {} N 0.0 {0.551593 0.347967 0.505858} N6 4277 -1 7 {} N 0.0 {0.542603 0.348033 0.478332} N7 4278 -1 8 {} O 0.0 {0.462425 0.334734 0.50414} O3 4279 -1 6 {} C 0.0 {0.472276 0.358381 0.528181} C1 4280 -1 8 {} O 0.0 {0.489585 0.33943 0.511721} O4 4281 -1 7 {} N 0.0 {0.515765 0.369096 0.469178} N8 4282 -1 8 {} O 0.0 {0.504812 0.344655 0.473253} O5 4283 -1 1 {} H 0.0 {0.466661 0.376551 0.443397} H1 4284 -1 1 {} H 0.0 {0.480339 0.345687 0.480001} H2 4285 -1 1 {} H 0.0 {0.511294 0.388832 0.508524} H3 4286 -1 1 {} H 0.0 {0.51121 0.381392 0.49475} H4 4287 -1 1 {} H 0.0 {0.541664 0.368917 0.516802} H5 4288 -1 1 {} H 0.0 {0.533161 0.381444 0.522523} H6 4289 -1 1 {} H 0.0 {0.500668 0.371065 0.52159} H7 4290 -1 1 {} H 0.0 {0.503719 0.355719 0.516735} H8 4291 -1 1 {} H 0.0 {0.538127 0.379382 0.497672} H9 4292 -1 1 {} H 0.0 {0.553852 0.375105 0.493272} H10 4293 -1 1 {} H 0.0 {0.559594 0.346337 0.499598} H11 4294 -1 1 {} H 0.0 {0.547113 0.339516 0.508036} H12 4295 -1 1 {} H 0.0 {0.534622 0.341827 0.479103} H13 4296 -1 1 {} H 0.0 {0.550421 0.341944 0.482097} H14 4297 -1 1 {} H 0.0 {0.464814 0.335137 0.494182} H15 4298 -1 1 {} H 0.0 {0.468732 0.351673 0.536296} H16 4299 -1 1 {} H 0.0 {0.465837 0.366542 0.528191} H17 4300 -1 1 {} H 0.0 {0.480837 0.36329 0.531755} H18 4301 -1 1 {} H 0.0 {0.488949 0.331686 0.5169} H19 4302 -1 1 {} H 0.0 {0.524548 0.371888 0.474189} H20 4303 -1 1 {} H 0.0 {0.50771 0.376069 0.469762} H21 4304 -1 1 {} H 0.0 {0.500643 0.347536 0.464601} H22 4305 -1 14 {} Si 0.0 {0.397465 0.363965 0.453907} Si1 4306 -1 8 {} O 0.0 {0.408919 0.352904 0.458307} O1 4307 -1 14 {} Si 0.0 {0.35182 0.393009 0.399136} Si2 4308 -1 8 {} O 0.0 {0.364346 0.401443 0.396564} O2 4309 -1 14 {} Si 0.0 {0.377145 0.403854 0.387244} Si3 4310 -1 7 {} N 0.0 {0.391491 0.411752 0.397111} N1 4311 -1 14 {} Si 0.0 {0.38916 0.427776 0.401231} Si4 4312 -1 14 {} Si 0.0 {0.407837 0.408991 0.398255} Si5 4313 -1 7 {} N 0.0 {0.372622 0.434123 0.392625} N2 4314 -1 7 {} N 0.0 {0.400777 0.441713 0.393037} N3 4315 -1 7 {} N 0.0 {0.390462 0.429252 0.421353} N4 4316 -1 7 {} N 0.0 {0.416486 0.404307 0.383937} N5 4317 -1 7 {} N 0.0 {0.359945 0.353739 0.37972} N6 4318 -1 7 {} N 0.0 {0.413269 0.467443 0.412399} N7 4319 -1 8 {} O 0.0 {0.398631 0.364509 0.433962} O3 4320 -1 6 {} C 0.0 {0.402634 0.381097 0.437203} C1 4321 -1 8 {} O 0.0 {0.38152 0.349706 0.455888} O4 4322 -1 7 {} N 0.0 {0.38382 0.388689 0.377458} N8 4323 -1 8 {} O 0.0 {0.415469 0.412659 0.41163} O5 4324 -1 1 {} H 0.0 {0.34448 0.40014 0.409248} H1 4325 -1 1 {} H 0.0 {0.356866 0.380054 0.406716} H2 4326 -1 1 {} H 0.0 {0.367252 0.42575 0.392728} H3 4327 -1 1 {} H 0.0 {0.377021 0.434755 0.383311} H4 4328 -1 1 {} H 0.0 {0.403154 0.447001 0.401293} H5 4329 -1 1 {} H 0.0 {0.396484 0.448526 0.38634} H6 4330 -1 1 {} H 0.0 {0.399953 0.425408 0.421196} H7 4331 -1 1 {} H 0.0 {0.392481 0.438798 0.423441} H8 4332 -1 1 {} H 0.0 {0.425639 0.408779 0.382513} H9 4333 -1 1 {} H 0.0 {0.417488 0.394141 0.383137} H10 4334 -1 1 {} H 0.0 {0.362312 0.363424 0.382782} H11 4335 -1 1 {} H 0.0 {0.358029 0.355462 0.36926} H12 4336 -1 1 {} H 0.0 {0.409839 0.476146 0.416556} H13 4337 -1 1 {} H 0.0 {0.41329 0.469243 0.402166} H14 4338 -1 1 {} H 0.0 {0.407566 0.360936 0.432639} H15 4339 -1 1 {} H 0.0 {0.407619 0.386515 0.444432} H16 4340 -1 1 {} H 0.0 {0.393285 0.386593 0.436494} H17 4341 -1 1 {} H 0.0 {0.409531 0.381887 0.428321} H18 4342 -1 1 {} H 0.0 {0.378288 0.348867 0.446994} H19 4343 -1 1 {} H 0.0 {0.393153 0.388737 0.381794} H20 4344 -1 1 {} H 0.0 {0.378869 0.381098 0.381131} H21 4345 -1 1 {} H 0.0 {0.422993 0.418633 0.410192} H22 4346 -1 14 {} Si 0.0 {0.418008 0.68089 0.478404} Si1 4347 -1 8 {} O 0.0 {0.432028 0.674373 0.482594} O1 4348 -1 14 {} Si 0.0 {0.442975 0.66423 0.487024} Si2 4349 -1 8 {} O 0.0 {0.432706 0.651965 0.490193} O2 4350 -1 14 {} Si 0.0 {0.423378 0.645292 0.500899} Si3 4351 -1 7 {} N 0.0 {0.408294 0.636902 0.494354} N1 4352 -1 14 {} Si 0.0 {0.393787 0.635365 0.501502} Si4 4353 -1 14 {} Si 0.0 {0.415132 0.62686 0.479355} Si5 4354 -1 7 {} N 0.0 {0.397546 0.635461 0.520822} N2 4355 -1 7 {} N 0.0 {0.384263 0.617527 0.497155} N3 4356 -1 7 {} N 0.0 {0.38551 0.652214 0.495367} N4 4357 -1 7 {} N 0.0 {0.423638 0.636841 0.46555} N5 4358 -1 7 {} N 0.0 {0.431561 0.617375 0.484604} N6 4359 -1 7 {} N 0.0 {0.399315 0.621163 0.468737} N7 4360 -1 8 {} O 0.0 {0.418629 0.674715 0.463672} O3 4361 -1 6 {} C 0.0 {0.415005 0.699969 0.482158} C1 4362 -1 8 {} O 0.0 {0.407278 0.669254 0.483235} O4 4363 -1 7 {} N 0.0 {0.414888 0.659818 0.510548} N8 4364 -1 8 {} O 0.0 {0.434202 0.635735 0.507133} O5 4365 -1 1 {} H 0.0 {0.39864 0.687643 0.523291} H1 4366 -1 1 {} H 0.0 {0.450616 0.660857 0.47534} H2 4367 -1 1 {} H 0.0 {0.39014 0.641585 0.524259} H3 4368 -1 1 {} H 0.0 {0.405676 0.641617 0.521806} H4 4369 -1 1 {} H 0.0 {0.391161 0.610065 0.497193} H5 4370 -1 1 {} H 0.0 {0.382211 0.618264 0.486833} H6 4371 -1 1 {} H 0.0 {0.392796 0.658373 0.491917} H7 4372 -1 1 {} H 0.0 {0.381857 0.648428 0.486753} H8 4373 -1 1 {} H 0.0 {0.432938 0.637724 0.469406} H9 4374 -1 1 {} H 0.0 {0.419183 0.645945 0.466867} H10 4375 -1 1 {} H 0.0 {0.432539 0.614294 0.474727} H11 4376 -1 1 {} H 0.0 {0.438028 0.625059 0.485603} H12 4377 -1 1 {} H 0.0 {0.394897 0.615049 0.475369} H13 4378 -1 1 {} H 0.0 {0.393611 0.629542 0.46954} H14 4379 -1 1 {} H 0.0 {0.412735 0.666498 0.462739} H15 4380 -1 1 {} H 0.0 {0.40502 0.701379 0.484878} H16 4381 -1 1 {} H 0.0 {0.417949 0.705493 0.473378} H17 4382 -1 1 {} H 0.0 {0.421615 0.702805 0.489837} H18 4383 -1 1 {} H 0.0 {0.470879 0.653853 0.418494} H19 4384 -1 1 {} H 0.0 {0.405633 0.65771 0.507587} H20 4385 -1 1 {} H 0.0 {0.417902 0.668323 0.505953} H21 4386 -1 1 {} H 0.0 {0.434279 0.62735 0.502667} H22 4387 -1 14 {} Si 0.0 {0.537617 0.466542 0.54316} Si1 4388 -1 8 {} O 0.0 {0.531277 0.471713 0.556519} O1 4389 -1 14 {} Si 0.0 {0.525898 0.48397 0.565265} Si2 4390 -1 8 {} O 0.0 {0.538126 0.493188 0.56423} O2 4391 -1 14 {} Si 0.0 {0.546762 0.505791 0.567514} Si3 4392 -1 7 {} N 0.0 {0.561081 0.50467 0.579994} N1 4393 -1 14 {} Si 0.0 {0.560789 0.502243 0.595998} Si4 4394 -1 14 {} Si 0.0 {0.576167 0.499999 0.57441} Si5 4395 -1 7 {} N 0.0 {0.571029 0.487999 0.603336} N2 4396 -1 7 {} N 0.0 {0.543288 0.498753 0.599573} N3 4397 -1 7 {} N 0.0 {0.56406 0.516923 0.608995} N4 4398 -1 7 {} N 0.0 {0.589502 0.504665 0.587693} N5 4399 -1 7 {} N 0.0 {0.578783 0.479858 0.570657} N6 4400 -1 7 {} N 0.0 {0.579693 0.509744 0.558256} N7 4401 -1 8 {} O 0.0 {0.552186 0.463589 0.547933} O3 4402 -1 6 {} C 0.0 {0.533439 0.471877 0.525644} C1 4403 -1 8 {} O 0.0 {0.535436 0.447011 0.549236} O4 4404 -1 7 {} N 0.0 {0.538123 0.522601 0.57202} N8 4405 -1 8 {} O 0.0 {0.551759 0.50765 0.551793} O5 4406 -1 1 {} H 0.0 {0.512352 0.446246 0.570795} H1 4407 -1 1 {} H 0.0 {0.516025 0.48916 0.557163} H2 4408 -1 1 {} H 0.0 {0.574709 0.485077 0.594437} H3 4409 -1 1 {} H 0.0 {0.56374 0.481276 0.606322} H4 4410 -1 1 {} H 0.0 {0.540362 0.498989 0.589425} H5 4411 -1 1 {} H 0.0 {0.54257 0.488498 0.601108} H6 4412 -1 1 {} H 0.0 {0.554957 0.518258 0.612044} H7 4413 -1 1 {} H 0.0 {0.568795 0.510864 0.616097} H8 4414 -1 1 {} H 0.0 {0.586441 0.499713 0.596307} H9 4415 -1 1 {} H 0.0 {0.587766 0.514386 0.590212} H10 4416 -1 1 {} H 0.0 {0.587458 0.478023 0.576585} H11 4417 -1 1 {} H 0.0 {0.581212 0.479868 0.560325} H12 4418 -1 1 {} H 0.0 {0.569451 0.512965 0.556602} H13 4419 -1 1 {} H 0.0 {0.582763 0.503164 0.551392} H14 4420 -1 1 {} H 0.0 {0.554858 0.468703 0.555906} H15 4421 -1 1 {} H 0.0 {0.537649 0.482261 0.524616} H16 4422 -1 1 {} H 0.0 {0.522935 0.471058 0.523883} H17 4423 -1 1 {} H 0.0 {0.538203 0.465266 0.518854} H18 4424 -1 1 {} H 0.0 {0.543428 0.443025 0.544955} H19 4425 -1 1 {} H 0.0 {0.538239 0.528178 0.563301} H20 4426 -1 1 {} H 0.0 {0.54464 0.526889 0.578361} H21 4427 -1 1 {} H 0.0 {0.544981 0.512789 0.546666} H22 4428 -1 14 {} Si 0.0 {0.360505 0.310879 0.541197} Si1 4429 -1 8 {} O 0.0 {0.349648 0.32096 0.536845} O1 4430 -1 14 {} Si 0.0 {0.345308 0.333122 0.527082} Si2 4431 -1 8 {} O 0.0 {0.336854 0.344323 0.534813} O2 4432 -1 14 {} Si 0.0 {0.340787 0.35812 0.542818} Si3 4433 -1 7 {} N 0.0 {0.358513 0.361303 0.534644} N1 4434 -1 14 {} Si 0.0 {0.363842 0.376192 0.537209} Si4 4435 -1 14 {} Si 0.0 {0.366755 0.352191 0.519482} Si5 4436 -1 7 {} N 0.0 {0.374942 0.383458 0.523827} N2 4437 -1 7 {} N 0.0 {0.373381 0.380151 0.553724} N3 4438 -1 7 {} N 0.0 {0.349753 0.389017 0.537908} N4 4439 -1 7 {} N 0.0 {0.36571 0.33399 0.509708} N5 4440 -1 7 {} N 0.0 {0.360256 0.359504 0.502775} N6 4441 -1 7 {} N 0.0 {0.386086 0.350291 0.523046} N7 4442 -1 8 {} O 0.0 {0.371783 0.313017 0.530695} O3 4443 -1 6 {} C 0.0 {0.35235 0.290038 0.545788} C1 4444 -1 8 {} O 0.0 {0.367812 0.319738 0.552704} O4 4445 -1 7 {} N 0.0 {0.342495 0.36721 0.559655} N8 4446 -1 8 {} O 0.0 {0.32965 0.36723 0.535833} O5 4447 -1 1 {} H 0.0 {0.33782 0.328133 0.513704} H1 4448 -1 1 {} H 0.0 {0.356019 0.342943 0.522453} H2 4449 -1 1 {} H 0.0 {0.373853 0.376938 0.516232} H3 4450 -1 1 {} H 0.0 {0.368282 0.390908 0.52048} H4 4451 -1 1 {} H 0.0 {0.369839 0.390016 0.555594} H5 4452 -1 1 {} H 0.0 {0.382459 0.381664 0.549364} H6 4453 -1 1 {} H 0.0 {0.35257 0.3944 0.529734} H7 4454 -1 1 {} H 0.0 {0.34132 0.383055 0.535121} H8 4455 -1 1 {} H 0.0 {0.359923 0.336373 0.501282} H9 4456 -1 1 {} H 0.0 {0.374495 0.335674 0.505713} H10 4457 -1 1 {} H 0.0 {0.365194 0.368265 0.501891} H11 4458 -1 1 {} H 0.0 {0.350411 0.361721 0.505} H12 4459 -1 1 {} H 0.0 {0.390817 0.355059 0.515112} H13 4460 -1 1 {} H 0.0 {0.387192 0.340355 0.521835} H14 4461 -1 1 {} H 0.0 {0.369718 0.319352 0.52406} H15 4462 -1 1 {} H 0.0 {0.155389 0.0130624 0.0626544} H16 4463 -1 1 {} H 0.0 {0.354071 0.286752 0.555179} H17 4464 -1 1 {} H 0.0 {0.154653 0.0188942 0.067082} H18 4465 -1 1 {} H 0.0 {0.372654 0.327034 0.548653} H19 4466 -1 1 {} H 0.0 {0.335555 0.374754 0.558348} H20 4467 -1 1 {} H 0.0 {0.351204 0.372172 0.558101} H21 4468 -1 1 {} H 0.0 {0.33346 0.369926 0.527727} H22 4469 -1 14 {} Si 0.0 {0.581443 0.348828 0.603654} Si1 4470 -1 8 {} O 0.0 {0.587041 0.348019 0.589246} O1 4471 -1 14 {} Si 0.0 {0.596586 0.339774 0.579731} Si2 4472 -1 8 {} O 0.0 {0.591968 0.325248 0.580273} O2 4473 -1 14 {} Si 0.0 {0.580427 0.314903 0.58476} Si3 4474 -1 7 {} N 0.0 {0.581168 0.310518 0.601172} N1 4475 -1 14 {} Si 0.0 {0.596763 0.3007 0.607522} Si4 4476 -1 14 {} Si 0.0 {0.568824 0.310369 0.612998} Si5 4477 -1 7 {} N 0.0 {0.612643 0.310458 0.602222} N2 4478 -1 7 {} N 0.0 {0.595928 0.286497 0.600818} N3 4479 -1 7 {} N 0.0 {0.596859 0.300079 0.627598} N4 4480 -1 7 {} N 0.0 {0.555602 0.316684 0.606761} N5 4481 -1 7 {} N 0.0 {0.566096 0.292151 0.618024} N6 4482 -1 7 {} N 0.0 {0.574383 0.321241 0.627511} N7 4483 -1 8 {} O 0.0 {0.592342 0.338975 0.610793} O3 4484 -1 6 {} C 0.0 {0.546725 0.349098 0.605834} C1 4485 -1 8 {} O 0.0 {0.588161 0.362593 0.607241} O4 4486 -1 7 {} N 0.0 {0.581985 0.300309 0.571614} N8 4487 -1 8 {} O 0.0 {0.567839 0.322713 0.579784} O5 4488 -1 1 {} H 0.0 {0.61046 0.339844 0.583736} H1 4489 -1 1 {} H 0.0 {0.593583 0.34487 0.564358} H2 4490 -1 1 {} H 0.0 {0.608287 0.317657 0.596006} H3 4491 -1 1 {} H 0.0 {0.614417 0.315908 0.610728} H4 4492 -1 1 {} H 0.0 {0.627786 0.63748 0.605028} H5 4493 -1 1 {} H 0.0 {0.598879 0.278487 0.606078} H6 4494 -1 1 {} H 0.0 {0.598227 0.309886 0.630958} H7 4495 -1 1 {} H 0.0 {0.586867 0.299251 0.629685} H8 4496 -1 1 {} H 0.0 {0.437947 0.657406 0.446302} H9 4497 -1 1 {} H 0.0 {0.602595 0.62513 0.48407} H10 4498 -1 1 {} H 0.0 {0.559912 0.289722 0.610716} H11 4499 -1 1 {} H 0.0 {0.575174 0.288479 0.613936} H12 4500 -1 1 {} H 0.0 {0.567429 0.324204 0.634517} H13 4501 -1 1 {} H 0.0 {0.577507 0.329589 0.622402} H14 4502 -1 1 {} H 0.0 {0.589396 0.330133 0.607979} H15 4503 -1 1 {} H 0.0 {0.544959 0.359674 0.605735} H16 4504 -1 1 {} H 0.0 {0.543698 0.344341 0.614626} H17 4505 -1 1 {} H 0.0 {0.544206 0.343458 0.596918} H18 4506 -1 1 {} H 0.0 {0.596957 0.361455 0.612259} H19 4507 -1 1 {} H 0.0 {0.585216 0.306397 0.564333} H20 4508 -1 1 {} H 0.0 {0.572727 0.298074 0.569098} H21 4509 -1 1 {} H 0.0 {0.569564 0.331947 0.580624} H22 4510 -1 14 {} Si 0.0 {0.451381 0.320957 0.599578} Si1 4511 -1 8 {} O 0.0 {0.444982 0.310104 0.608854} O1 4512 -1 14 {} Si 0.0 {0.442831 0.306187 0.623515} Si2 4513 -1 8 {} O 0.0 {0.440942 0.319436 0.630405} O2 4514 -1 14 {} Si 0.0 {0.440772 0.325193 0.644881} Si3 4515 -1 7 {} N 0.0 {0.422884 0.332942 0.647995} N1 4516 -1 14 {} Si 0.0 {0.417923 0.347424 0.643863} Si4 4517 -1 14 {} Si 0.0 {0.410734 0.322197 0.652174} Si5 4518 -1 7 {} N 0.0 {0.401624 0.345591 0.634947} N2 4519 -1 7 {} N 0.0 {0.432657 0.353219 0.628851} N3 4520 -1 7 {} N 0.0 {0.416221 0.362005 0.658697} N4 4521 -1 7 {} N 0.0 {0.397481 0.329339 0.664222} N5 4522 -1 7 {} N 0.0 {0.403193 0.314457 0.636273} N6 4523 -1 7 {} N 0.0 {0.417291 0.306339 0.661032} N7 4524 -1 8 {} O 0.0 {0.426034 0.293324 0.630277} O3 4525 -1 6 {} C 0.0 {0.470112 0.321979 0.597399} C1 4526 -1 8 {} O 0.0 {0.439202 0.330677 0.595574} O4 4527 -1 7 {} N 0.0 {0.454742 0.339416 0.647758} N8 4528 -1 8 {} O 0.0 {0.444924 0.313207 0.652767} O5 4529 -1 1 {} H 0.0 {0.457352 0.299699 0.62788} H1 4530 -1 1 {} H 0.0 {0.418652 0.299852 0.628623} H2 4531 -1 1 {} H 0.0 {0.396123 0.351725 0.641572} H3 4532 -1 1 {} H 0.0 {0.401839 0.350764 0.626519} H4 4533 -1 1 {} H 0.0 {0.427169 0.357601 0.621045} H5 4534 -1 1 {} H 0.0 {0.438614 0.345841 0.624645} H6 4535 -1 1 {} H 0.0 {0.42249 0.369405 0.65537} H7 4536 -1 1 {} H 0.0 {0.420643 0.358671 0.667298} H8 4537 -1 1 {} H 0.0 {0.392297 0.336982 0.659261} H9 4538 -1 1 {} H 0.0 {0.39046 0.322506 0.666717} H10 4539 -1 1 {} H 0.0 {0.39746 0.307713 0.640536} H11 4540 -1 1 {} H 0.0 {0.397867 0.321805 0.631531} H12 4541 -1 1 {} H 0.0 {0.414315 0.307898 0.670494} H13 4542 -1 1 {} H 0.0 {0.427388 0.307515 0.660069} H14 4543 -1 1 {} H 0.0 {0.403589 0.300155 0.591627} H15 4544 -1 1 {} H 0.0 {0.474751 0.312233 0.599361} H16 4545 -1 1 {} H 0.0 {0.473542 0.32827 0.605355} H17 4546 -1 1 {} H 0.0 {0.472449 0.32566 0.587491} H18 4547 -1 1 {} H 0.0 {0.430356 0.327195 0.600432} H19 4548 -1 1 {} H 0.0 {0.450326 0.348607 0.648772} H20 4549 -1 1 {} H 0.0 {0.459379 0.336171 0.65618} H21 4550 -1 1 {} H 0.0 {0.378954 0.535503 0.287925} H22 4551 -1 14 {} Si 0.0 {0.493223 0.463083 0.525306} Si1 4552 -1 8 {} O 0.0 {0.506303 0.452907 0.524768} O1 4553 -1 14 {} Si 0.0 {0.512555 0.439505 0.530506} Si2 4554 -1 8 {} O 0.0 {0.500491 0.437582 0.540457} O2 4555 -1 14 {} Si 0.0 {0.493828 0.428767 0.551603} Si3 4556 -1 7 {} N 0.0 {0.503035 0.411353 0.554726} N1 4557 -1 14 {} Si 0.0 {0.513607 0.406294 0.543048} Si4 4558 -1 14 {} Si 0.0 {0.501151 0.402543 0.567999} Si5 4559 -1 7 {} N 0.0 {0.503145 0.396064 0.531088} N2 4560 -1 7 {} N 0.0 {0.527704 0.394409 0.548824} N3 4561 -1 7 {} N 0.0 {0.524327 0.420997 0.534383} N4 4562 -1 7 {} N 0.0 {0.516947 0.402674 0.579525} N5 4563 -1 7 {} N 0.0 {0.484576 0.40699 0.577141} N6 4564 -1 7 {} N 0.0 {0.496494 0.383806 0.563026} N7 4565 -1 8 {} O 0.0 {0.498598 0.47647 0.533607} O3 4566 -1 6 {} C 0.0 {0.476595 0.456001 0.53026} C1 4567 -1 8 {} O 0.0 {0.497072 0.470621 0.512343} O4 4568 -1 7 {} N 0.0 {0.47693 0.422251 0.547187} N8 4569 -1 8 {} O 0.0 {0.496382 0.440082 0.562854} O5 4570 -1 1 {} H 0.0 {0.525819 0.443462 0.541146} H1 4571 -1 1 {} H 0.0 {0.511442 0.429471 0.517923} H2 4572 -1 1 {} H 0.0 {0.507911 0.386598 0.530305} H3 4573 -1 1 {} H 0.0 {0.494544 0.394219 0.536443} H4 4574 -1 1 {} H 0.0 {0.527161 0.387266 0.541675} H5 4575 -1 1 {} H 0.0 {0.524522 0.390665 0.557293} H6 4576 -1 1 {} H 0.0 {0.532357 0.421426 0.540564} H7 4577 -1 1 {} H 0.0 {0.52753 0.416092 0.525609} H8 4578 -1 1 {} H 0.0 {0.51189 0.40398 0.587697} H9 4579 -1 1 {} H 0.0 {0.518276 0.3925 0.578915} H10 4580 -1 1 {} H 0.0 {0.481572 0.414585 0.570997} H11 4581 -1 1 {} H 0.0 {0.487352 0.41187 0.585402} H12 4582 -1 1 {} H 0.0 {0.491923 0.385576 0.554236} H13 4583 -1 1 {} H 0.0 {0.489021 0.380724 0.569024} H14 4584 -1 1 {} H 0.0 {0.490559 0.482251 0.53468} H15 4585 -1 1 {} H 0.0 {0.468315 0.460923 0.525728} H16 4586 -1 1 {} H 0.0 {0.475463 0.455394 0.540998} H17 4587 -1 1 {} H 0.0 {0.475576 0.446039 0.526811} H18 4588 -1 1 {} H 0.0 {0.444253 0.438541 0.546978} H19 4589 -1 1 {} H 0.0 {0.469592 0.429834 0.548425} H20 4590 -1 1 {} H 0.0 {0.477217 0.419867 0.537634} H21 4591 -1 1 {} H 0.0 {0.488428 0.344349 0.552761} H22 4592 -1 14 {} Si 0.0 {0.388799 0.706323 0.698274} Si1 4593 -1 8 {} O 0.0 {0.403132 0.704956 0.691178} O1 4594 -1 14 {} Si 0.0 {0.409559 0.6979 0.678987} Si2 4595 -1 8 {} O 0.0 {0.403395 0.652973 0.33729} O2 4596 -1 14 {} Si 0.0 {0.393476 0.660847 0.347097} Si3 4597 -1 7 {} N 0.0 {0.384212 0.678938 0.341305} N1 4598 -1 14 {} Si 0.0 {0.39162 0.674915 0.323607} Si4 4599 -1 14 {} Si 0.0 {0.381857 0.693433 0.334283} Si5 4600 -1 7 {} N 0.0 {0.380814 0.674744 0.311129} N2 4601 -1 7 {} N 0.0 {0.330147 0.579922 0.629765} N3 4602 -1 7 {} N 0.0 {0.419344 0.702493 0.665957} N4 4603 -1 7 {} N 0.0 {0.364705 0.696045 0.335285} N5 4604 -1 7 {} N 0.0 {0.394161 0.708721 0.341444} N6 4605 -1 7 {} N 0.0 {0.361668 0.676804 0.500719} N7 4606 -1 8 {} O 0.0 {0.385419 0.726921 0.693957} O3 4607 -1 6 {} C 0.0 {0.38127 0.695428 0.711471} C1 4608 -1 8 {} O 0.0 {0.399126 0.641607 0.683593} O4 4609 -1 7 {} N 0.0 {0.399821 0.666963 0.364554} N8 4610 -1 8 {} O 0.0 {0.382133 0.650567 0.343849} O5 4611 -1 1 {} H 0.0 {0.414217 0.66884 0.671617} H1 4612 -1 1 {} H 0.0 {0.453909 0.562675 0.662995} H2 4613 -1 1 {} H 0.0 {0.382598 0.278103 0.338466} H3 4614 -1 1 {} H 0.0 {0.370951 0.676461 0.314281} H4 4615 -1 1 {} H 0.0 {0.353724 0.671271 0.496828} H5 4616 -1 1 {} H 0.0 {0.331714 0.573782 0.637948} H6 4617 -1 1 {} H 0.0 {0.421219 0.711461 0.661356} H7 4618 -1 1 {} H 0.0 {0.417736 0.696152 0.657941} H8 4619 -1 1 {} H 0.0 {0.358809 0.690575 0.328534} H9 4620 -1 1 {} H 0.0 {0.360388 0.692662 0.343995} H10 4621 -1 1 {} H 0.0 {0.388775 0.715393 0.347811} H11 4622 -1 1 {} H 0.0 {0.402489 0.714077 0.338159} H12 4623 -1 1 {} H 0.0 {0.36971 0.673063 0.496321} H13 4624 -1 1 {} H 0.0 {0.362495 0.674606 0.511142} H14 4625 -1 1 {} H 0.0 {0.37545 0.726527 0.692903} H15 4626 -1 1 {} H 0.0 {0.374387 0.688611 0.706419} H16 4627 -1 1 {} H 0.0 {0.377862 0.702226 0.718822} H17 4628 -1 1 {} H 0.0 {0.388744 0.689219 0.715649} H18 4629 -1 1 {} H 0.0 {0.403763 0.637292 0.691349} H19 4630 -1 1 {} H 0.0 {0.407455 0.661918 0.367872} H20 4631 -1 1 {} H 0.0 {0.391886 0.663848 0.369936} H21 4632 -1 1 {} H 0.0 {0.383308 0.642479 0.349093} H22 4633 -1 14 {} Si 0.0 {0.615352 0.482961 0.267723} Si1 4634 -1 8 {} O 0.0 {0.600073 0.485509 0.268778} O1 4635 -1 14 {} Si 0.0 {0.688331 0.461983 0.61671} Si2 4636 -1 8 {} O 0.0 {0.697775 0.457046 0.605521} O2 4637 -1 14 {} Si 0.0 {0.669467 0.38612 0.295417} Si3 4638 -1 7 {} N 0.0 {0.635098 0.421996 0.582591} N1 4639 -1 14 {} Si 0.0 {0.708394 0.461107 0.594268} Si4 4640 -1 14 {} Si 0.0 {0.639695 0.427978 0.601317} Si5 4641 -1 7 {} N 0.0 {0.659424 0.471976 0.315059} N2 4642 -1 7 {} N 0.0 {0.437765 0.396227 0.728183} N3 4643 -1 7 {} N 0.0 {0.398182 0.269451 0.369598} N4 4644 -1 7 {} N 0.0 {0.293712 0.371379 0.430474} N5 4645 -1 7 {} N 0.0 {0.631337 0.442378 0.605748} N6 4646 -1 7 {} N 0.0 {0.658481 0.432299 0.601763} N7 4647 -1 8 {} O 0.0 {0.618704 0.498024 0.26705} O3 4648 -1 6 {} C 0.0 {0.623141 0.469326 0.267682} C1 4649 -1 8 {} O 0.0 {0.640388 0.506131 0.282933} O4 4650 -1 7 {} N 0.0 {0.706007 0.484074 0.516891} N8 4651 -1 8 {} O 0.0 {0.669165 0.398914 0.304346} O5 4652 -1 1 {} H 0.0 {0.691027 0.477117 0.618334} H1 4653 -1 1 {} H 0.0 {0.672809 0.462059 0.610056} H2 4654 -1 1 {} H 0.0 {0.668716 0.475004 0.313782} H3 4655 -1 1 {} H 0.0 {0.655578 0.478073 0.321695} H4 4656 -1 1 {} H 0.0 {0.447023 0.396121 0.733654} H5 4657 -1 1 {} H 0.0 {0.434081 0.387416 0.731284} H6 4658 -1 1 {} H 0.0 {0.665564 0.362371 0.330013} H7 4659 -1 1 {} H 0.0 {0.559225 0.695025 0.569166} H8 4660 -1 1 {} H 0.0 {0.301849 0.37727 0.432787} H9 4661 -1 1 {} H 0.0 {0.295392 0.364962 0.422663} H10 4662 -1 1 {} H 0.0 {0.621275 0.440411 0.603952} H11 4663 -1 1 {} H 0.0 {0.633208 0.448779 0.597594} H12 4664 -1 1 {} H 0.0 {0.658941 0.430229 0.590933} H13 4665 -1 1 {} H 0.0 {0.661023 0.423104 0.6065} H14 4666 -1 1 {} H 0.0 {0.625964 0.500127 0.273055} H15 4667 -1 1 {} H 0.0 {0.624318 0.464155 0.258486} H16 4668 -1 1 {} H 0.0 {0.643498 0.470243 0.297013} H17 4669 -1 1 {} H 0.0 {0.624739 0.464588 0.277284} H18 4670 -1 1 {} H 0.0 {0.596575 0.480629 0.276326} H19 4671 -1 1 {} H 0.0 {0.712272 0.478681 0.523404} H20 4672 -1 1 {} H 0.0 {0.646068 0.292872 0.632273} H21 4673 -1 1 {} H 0.0 {0.675531 0.398751 0.31137} H22 4674 -1 14 {} Si 0.0 {0.682419 0.458976 0.406298} Si1 4675 -1 8 {} O 0.0 {0.678972 0.445611 0.414078} O1 4676 -1 14 {} Si 0.0 {0.675139 0.437138 0.426843} Si2 4677 -1 8 {} O 0.0 {0.677929 0.422566 0.422379} O2 4678 -1 14 {} Si 0.0 {0.689803 0.415104 0.415452} Si3 4679 -1 7 {} N 0.0 {0.700073 0.404783 0.421654} N1 4680 -1 14 {} Si 0.0 {0.706434 0.398379 0.435035} Si4 4681 -1 14 {} Si 0.0 {0.879933 0.9356 0.728237} Si5 4682 -1 7 {} N 0.0 {0.695367 0.390359 0.446094} N2 4683 -1 7 {} N 0.0 {0.713942 0.411322 0.444031} N3 4684 -1 7 {} N 0.0 {0.721534 0.385051 0.428875} N4 4685 -1 7 {} N 0.0 {0.310416 0.386369 0.567419} N5 4686 -1 7 {} N 0.0 {0.879149 0.947854 0.737996} N6 4687 -1 7 {} N 0.0 {0.715772 0.653674 0.740792} N7 4688 -1 8 {} O 0.0 {0.663679 0.466671 0.407466} O3 4689 -1 6 {} C 0.0 {0.690807 0.461314 0.389831} C1 4690 -1 8 {} O 0.0 {0.686157 0.466131 0.420068} O4 4691 -1 7 {} N 0.0 {0.346223 0.503698 0.382656} N8 4692 -1 8 {} O 0.0 {0.68473 0.419465 0.401328} O5 4693 -1 1 {} H 0.0 {0.658755 0.443424 0.435582} H1 4694 -1 1 {} H 0.0 {0.724454 0.656679 0.7368} H2 4695 -1 1 {} H 0.0 {0.694036 0.380779 0.443267} H3 4696 -1 1 {} H 0.0 {0.686565 0.394123 0.449492} H4 4697 -1 1 {} H 0.0 {0.71159 0.419051 0.437446} H5 4698 -1 1 {} H 0.0 {0.706732 0.411836 0.451334} H6 4699 -1 1 {} H 0.0 {0.728956 0.391213 0.433194} H7 4700 -1 1 {} H 0.0 {0.721816 0.387066 0.418358} H8 4701 -1 1 {} H 0.0 {0.301836 0.392271 0.566287} H9 4702 -1 1 {} H 0.0 {0.311852 0.38236 0.558141} H10 4703 -1 1 {} H 0.0 {0.883569 0.957018 0.737062} H11 4704 -1 1 {} H 0.0 {0.913256 0.478491 0.430447} H12 4705 -1 1 {} H 0.0 {0.304917 0.463403 0.517123} H13 4706 -1 1 {} H 0.0 {0.709025 0.656591 0.73435} H14 4707 -1 1 {} H 0.0 {0.662662 0.46927 0.417496} H15 4708 -1 1 {} H 0.0 {0.69026 0.472392 0.387846} H16 4709 -1 1 {} H 0.0 {0.683982 0.457255 0.38321} H17 4710 -1 1 {} H 0.0 {0.699679 0.456152 0.390202} H18 4711 -1 1 {} H 0.0 {0.678071 0.470425 0.423807} H19 4712 -1 1 {} H 0.0 {0.344501 0.51099 0.376095} H20 4713 -1 1 {} H 0.0 {0.355671 0.504804 0.385263} H21 4714 -1 1 {} H 0.0 {0.684587 0.429501 0.400767} H22 4715 -1 14 {} Si 0.0 {0.413331 0.700752 0.53104} Si1 4716 -1 8 {} O 0.0 {0.395216 0.300316 0.588393} O1 4717 -1 14 {} Si 0.0 {0.421223 0.681781 0.542785} Si2 4718 -1 8 {} O 0.0 {0.450066 0.305603 0.574633} O2 4719 -1 14 {} Si 0.0 {0.439602 0.314458 0.577351} Si3 4720 -1 7 {} N 0.0 {0.433564 0.308039 0.535492} N1 4721 -1 14 {} Si 0.0 {0.419526 0.31444 0.540972} Si4 4722 -1 14 {} Si 0.0 {0.449343 0.308419 0.534018} Si5 4723 -1 7 {} N 0.0 {0.348236 0.699318 0.480655} N2 4724 -1 7 {} N 0.0 {0.348305 0.665416 0.46989} N3 4725 -1 7 {} N 0.0 {0.410158 0.306881 0.551647} N4 4726 -1 7 {} N 0.0 {0.458334 0.32581 0.532088} N5 4727 -1 7 {} N 0.0 {0.458129 0.298099 0.545259} N6 4728 -1 7 {} N 0.0 {0.451635 0.302093 0.516328} N7 4729 -1 8 {} O 0.0 {0.405369 0.693458 0.519595} O3 4730 -1 6 {} C 0.0 {0.415342 0.7154 0.537551} C1 4731 -1 8 {} O 0.0 {0.428592 0.690909 0.570831} O4 4732 -1 7 {} N 0.0 {0.420977 0.309235 0.579768} N8 4733 -1 8 {} O 0.0 {0.365801 0.702804 0.474613} O5 4734 -1 1 {} H 0.0 {0.424367 0.687611 0.557322} H1 4735 -1 1 {} H 0.0 {0.433885 0.678158 0.537124} H2 4736 -1 1 {} H 0.0 {0.344987 0.691948 0.475036} H3 4737 -1 1 {} H 0.0 {0.34964 0.696224 0.489897} H4 4738 -1 1 {} H 0.0 {0.353869 0.661204 0.46206} H5 4739 -1 1 {} H 0.0 {0.343006 0.657392 0.473251} H6 4740 -1 1 {} H 0.0 {0.400996 0.302651 0.548829} H7 4741 -1 1 {} H 0.0 {0.411275 0.661856 0.486756} H8 4742 -1 1 {} H 0.0 {0.458352 0.326373 0.521768} H9 4743 -1 1 {} H 0.0 {0.449893 0.330048 0.535533} H10 4744 -1 1 {} H 0.0 {0.467529 0.300784 0.542616} H11 4745 -1 1 {} H 0.0 {0.456916 0.300983 0.55491} H12 4746 -1 1 {} H 0.0 {0.442968 0.306356 0.512725} H13 4747 -1 1 {} H 0.0 {0.448653 0.292637 0.518656} H14 4748 -1 1 {} H 0.0 {0.370926 0.706147 0.482828} H15 4749 -1 1 {} H 0.0 {0.39368 0.344741 0.551663} H16 4750 -1 1 {} H 0.0 {0.613591 0.288561 0.619482} H17 4751 -1 1 {} H 0.0 {0.416405 0.725202 0.540618} H18 4752 -1 1 {} H 0.0 {0.41933 0.692048 0.575113} H19 4753 -1 1 {} H 0.0 {0.421218 0.299788 0.576894} H20 4754 -1 1 {} H 0.0 {0.416527 0.314093 0.572059} H21 4755 -1 1 {} H 0.0 {0.370682 0.694528 0.47305} H22 4756 -1 14 {} Si 0.0 {0.576056 0.691237 0.478162} Si1 4757 -1 8 {} O 0.0 {0.574826 0.660289 0.580408} O1 4758 -1 14 {} Si 0.0 {0.581956 0.663062 0.566566} Si2 4759 -1 8 {} O 0.0 {0.587143 0.642227 0.56563} O2 4760 -1 14 {} Si 0.0 {0.572246 0.643408 0.551194} Si3 4761 -1 7 {} N 0.0 {0.557135 0.654742 0.548001} N1 4762 -1 14 {} Si 0.0 {0.56236 0.67069 0.544262} Si4 4763 -1 14 {} Si 0.0 {0.541938 0.652761 0.541054} Si5 4764 -1 7 {} N 0.0 {0.578998 0.674327 0.554399} N2 4765 -1 7 {} N 0.0 {0.550431 0.683967 0.551198} N3 4766 -1 7 {} N 0.0 {0.568136 0.675125 0.526162} N4 4767 -1 7 {} N 0.0 {0.541774 0.634227 0.536838} N5 4768 -1 7 {} N 0.0 {0.527929 0.657297 0.555662} N6 4769 -1 7 {} N 0.0 {0.452477 0.703237 0.499016} N7 4770 -1 8 {} O 0.0 {0.578028 0.705847 0.471739} O3 4771 -1 6 {} C 0.0 {0.583874 0.67599 0.472829} C1 4772 -1 8 {} O 0.0 {0.572983 0.694305 0.493911} O4 4773 -1 7 {} N 0.0 {0.564603 0.626117 0.557506} N8 4774 -1 8 {} O 0.0 {0.583568 0.645948 0.540532} O5 4775 -1 1 {} H 0.0 {0.595168 0.641982 0.55966} H1 4776 -1 1 {} H 0.0 {0.574801 0.650832 0.58167} H2 4777 -1 1 {} H 0.0 {0.833479 0.618888 0.977715} H3 4778 -1 1 {} H 0.0 {0.606283 0.65211 0.587907} H4 4779 -1 1 {} H 0.0 {0.548658 0.688526 0.542832} H5 4780 -1 1 {} H 0.0 {0.542844 0.678141 0.553489} H6 4781 -1 1 {} H 0.0 {0.567491 0.665976 0.522061} H7 4782 -1 1 {} H 0.0 {0.559989 0.680683 0.52373} H8 4783 -1 1 {} H 0.0 {0.548628 0.634986 0.52919} H9 4784 -1 1 {} H 0.0 {0.532735 0.633376 0.532078} H10 4785 -1 1 {} H 0.0 {0.535049 0.653829 0.562539} H11 4786 -1 1 {} H 0.0 {0.520736 0.649924 0.554669} H12 4787 -1 1 {} H 0.0 {0.450361 0.703169 0.488369} H13 4788 -1 1 {} H 0.0 {0.459189 0.694918 0.499267} H14 4789 -1 1 {} H 0.0 {0.57791 0.706689 0.461542} H15 4790 -1 1 {} H 0.0 {0.577504 0.67048 0.466679} H16 4791 -1 1 {} H 0.0 {0.587259 0.671304 0.481673} H17 4792 -1 1 {} H 0.0 {0.583856 0.687948 0.519794} H18 4793 -1 1 {} H 0.0 {0.585044 0.699288 0.510218} H19 4794 -1 1 {} H 0.0 {0.555401 0.625168 0.553971} H20 4795 -1 1 {} H 0.0 {0.563964 0.628356 0.567146} H21 4796 -1 1 {} H 0.0 {0.585342 0.637991 0.53578} H22 4797 -1 14 {} Si 0.0 {0.465746 0.619706 0.491115} Si1 4798 -1 8 {} O 0.0 {0.469362 0.618235 0.50615} O1 4799 -1 14 {} Si 0.0 {0.467021 0.617627 0.521687} Si2 4800 -1 8 {} O 0.0 {0.476805 0.593874 0.532161} O2 4801 -1 14 {} Si 0.0 {0.487097 0.603523 0.525815} Si3 4802 -1 7 {} N 0.0 {0.499185 0.608945 0.534914} N1 4803 -1 14 {} Si 0.0 {0.512861 0.616727 0.536651} Si4 4804 -1 14 {} Si 0.0 {0.460414 0.647636 0.573563} Si5 4805 -1 7 {} N 0.0 {0.465098 0.639281 0.560416} N2 4806 -1 7 {} N 0.0 {0.519641 0.616258 0.520341} N3 4807 -1 7 {} N 0.0 {0.508268 0.634642 0.541322} N4 4808 -1 7 {} N 0.0 {0.328538 0.677791 0.49506} N5 4809 -1 7 {} N 0.0 {0.412318 0.667055 0.541059} N6 4810 -1 7 {} N 0.0 {0.470921 0.663139 0.579162} N7 4811 -1 8 {} O 0.0 {0.46309 0.603751 0.48943} O3 4812 -1 6 {} C 0.0 {0.463934 0.632586 0.482155} C1 4813 -1 8 {} O 0.0 {0.460435 0.598322 0.434568} O4 4814 -1 7 {} N 0.0 {0.494293 0.600739 0.508467} N8 4815 -1 8 {} O 0.0 {0.398723 0.613797 0.54236} O5 4816 -1 1 {} H 0.0 {0.396959 0.620831 0.536211} H1 4817 -1 1 {} H 0.0 {0.470872 0.630097 0.525796} H2 4818 -1 1 {} H 0.0 {0.395062 0.694411 0.64635} H3 4819 -1 1 {} H 0.0 {0.457979 0.639854 0.553114} H4 4820 -1 1 {} H 0.0 {0.5296 0.617689 0.51967} H5 4821 -1 1 {} H 0.0 {0.515795 0.62391 0.515826} H6 4822 -1 1 {} H 0.0 {0.502875 0.632856 0.550139} H7 4823 -1 1 {} H 0.0 {0.517795 0.637392 0.542807} H8 4824 -1 1 {} H 0.0 {0.525853 0.652385 0.631797} H9 4825 -1 1 {} H 0.0 {0.324954 0.687324 0.496404} H10 4826 -1 1 {} H 0.0 {0.413532 0.663671 0.531532} H11 4827 -1 1 {} H 0.0 {0.416972 0.659856 0.546222} H12 4828 -1 1 {} H 0.0 {0.465733 0.66986 0.573325} H13 4829 -1 1 {} H 0.0 {0.473284 0.60156 0.604324} H14 4830 -1 1 {} H 0.0 {0.453767 0.602432 0.490195} H15 4831 -1 1 {} H 0.0 {0.455758 0.638829 0.484773} H16 4832 -1 1 {} H 0.0 {0.470911 0.63444 0.474174} H17 4833 -1 1 {} H 0.0 {0.517522 0.632847 0.477376} H18 4834 -1 1 {} H 0.0 {0.456399 0.589952 0.431585} H19 4835 -1 1 {} H 0.0 {0.500589 0.60814 0.508341} H20 4836 -1 1 {} H 0.0 {0.486718 0.604287 0.502554} H21 4837 -1 1 {} H 0.0 {0.448617 0.658218 0.563581} H22 4838 -1 14 {} Si 0.0 {0.419727 0.382086 0.690899} Si1 4839 -1 8 {} O 0.0 {0.355699 0.52494 0.644003} O1 4840 -1 14 {} Si 0.0 {0.341434 0.54746 0.626595} Si2 4841 -1 8 {} O 0.0 {0.339941 0.543429 0.612088} O2 4842 -1 14 {} Si 0.0 {0.386641 0.485694 0.636807} Si3 4843 -1 7 {} N 0.0 {0.35532 0.386812 0.613065} N1 4844 -1 14 {} Si 0.0 {0.339703 0.384954 0.613685} Si4 4845 -1 14 {} Si 0.0 {0.360274 0.398721 0.622454} Si5 4846 -1 7 {} N 0.0 {0.378407 0.448827 0.629467} N2 4847 -1 7 {} N 0.0 {0.331925 0.386728 0.59765} N3 4848 -1 7 {} N 0.0 {0.233151 0.388417 0.696321} N4 4849 -1 7 {} N 0.0 {0.366414 0.413048 0.611151} N5 4850 -1 7 {} N 0.0 {0.345548 0.406038 0.633785} N6 4851 -1 7 {} N 0.0 {0.985092 0.298143 0.914729} N7 4852 -1 8 {} O 0.0 {0.398099 0.417725 0.670406} O3 4853 -1 6 {} C 0.0 {0.901055 0.807458 0.867977} C1 4854 -1 8 {} O 0.0 {0.131793 0.0723004 0.616064} O4 4855 -1 7 {} N 0.0 {0.392519 0.489741 0.651468} N8 4856 -1 8 {} O 0.0 {0.410074 0.463221 0.604035} O5 4857 -1 1 {} H 0.0 {0.160984 0.833824 0.137532} H1 4858 -1 1 {} H 0.0 {0.15638 0.829789 0.141866} H2 4859 -1 1 {} H 0.0 {0.37688 0.446254 0.639229} H3 4860 -1 1 {} H 0.0 {0.380644 0.440143 0.625145} H4 4861 -1 1 {} H 0.0 {0.332953 0.377119 0.593978} H5 4862 -1 1 {} H 0.0 {0.339643 0.391804 0.593649} H6 4863 -1 1 {} H 0.0 {0.240999 0.395121 0.696532} H7 4864 -1 1 {} H 0.0 {0.237415 0.379556 0.692059} H8 4865 -1 1 {} H 0.0 {0.358418 0.419142 0.610708} H9 4866 -1 1 {} H 0.0 {0.367027 0.408595 0.60224} H10 4867 -1 1 {} H 0.0 {0.347886 0.406326 0.643879} H11 4868 -1 1 {} H 0.0 {0.345215 0.416095 0.631484} H12 4869 -1 1 {} H 0.0 {0.975537 0.29415 0.916408} H13 4870 -1 1 {} H 0.0 {0.986232 0.306269 0.920671} H14 4871 -1 1 {} H 0.0 {0.0961735 0.0159713 0.707414} H15 4872 -1 1 {} H 0.0 {0.838051 0.509224 0.786081} H16 4873 -1 1 {} H 0.0 {0.892639 0.590172 0.147354} H17 4874 -1 1 {} H 0.0 {0.0839414 0.493417 0.321759} H18 4875 -1 1 {} H 0.0 {0.135011 0.0808061 0.620012} H19 4876 -1 1 {} H 0.0 {0.590623 0.709659 0.489606} H20 4877 -1 1 {} H 0.0 {0.769832 0.945049 0.347334} H21 4878 -1 1 {} H 0.0 {0.415098 0.470871 0.600939} H22 4879 -1 14 {} Si 0.0 {0.596624 0.339205 0.303154} Si1 4880 -1 8 {} O 0.0 {0.606375 0.34789 0.294967} O1 4881 -1 14 {} Si 0.0 {0.617163 0.36037 0.295844} Si2 4882 -1 8 {} O 0.0 {0.608811 0.36996 0.304745} O2 4883 -1 14 {} Si 0.0 {0.606013 0.380945 0.315263} Si3 4884 -1 7 {} N 0.0 {0.589347 0.382551 0.317461} N1 4885 -1 14 {} Si 0.0 {0.583245 0.388582 0.303129} Si4 4886 -1 14 {} Si 0.0 {0.582009 0.375559 0.33031} Si5 4887 -1 7 {} N 0.0 {0.594415 0.400828 0.293008} N2 4888 -1 7 {} N 0.0 {0.568605 0.400604 0.308868} N3 4889 -1 7 {} N 0.0 {0.575457 0.375704 0.290794} N4 4890 -1 7 {} N 0.0 {0.59149 0.360155 0.337288} N5 4891 -1 7 {} N 0.0 {0.577355 0.389677 0.343637} N6 4892 -1 7 {} N 0.0 {0.566458 0.367475 0.32292} N7 4893 -1 8 {} O 0.0 {0.595938 0.328421 0.314455} O3 4894 -1 6 {} C 0.0 {0.591157 0.374472 0.397575} C1 4895 -1 8 {} O 0.0 {0.485072 0.402981 0.287956} O4 4896 -1 7 {} N 0.0 {0.615633 0.396335 0.321457} N8 4897 -1 8 {} O 0.0 {0.620061 0.37615 0.415593} O5 4898 -1 1 {} H 0.0 {0.55594 0.418076 0.297281} H1 4899 -1 1 {} H 0.0 {0.614852 0.367186 0.282405} H2 4900 -1 1 {} H 0.0 {0.602001 0.401867 0.299675} H3 4901 -1 1 {} H 0.0 {0.588173 0.409327 0.294287} H4 4902 -1 1 {} H 0.0 {0.562145 0.393447 0.312354} H5 4903 -1 1 {} H 0.0 {0.573034 0.403775 0.317757} H6 4904 -1 1 {} H 0.0 {0.583445 0.372918 0.285179} H7 4905 -1 1 {} H 0.0 {0.574139 0.368411 0.297904} H8 4906 -1 1 {} H 0.0 {0.586093 0.355781 0.344886} H9 4907 -1 1 {} H 0.0 {0.589953 0.353699 0.328898} H10 4908 -1 1 {} H 0.0 {0.58506 0.396041 0.342452} H11 4909 -1 1 {} H 0.0 {0.579217 0.384019 0.351591} H12 4910 -1 1 {} H 0.0 {0.571031 0.358966 0.318828} H13 4911 -1 1 {} H 0.0 {0.564642 0.374226 0.315349} H14 4912 -1 1 {} H 0.0 {0.449099 0.296648 0.412522} H15 4913 -1 1 {} H 0.0 {0.581376 0.371555 0.400494} H16 4914 -1 1 {} H 0.0 {0.596643 0.375566 0.406775} H17 4915 -1 1 {} H 0.0 {0.59211 0.359455 0.309126} H18 4916 -1 1 {} H 0.0 {0.493675 0.409109 0.287043} H19 4917 -1 1 {} H 0.0 {0.609863 0.398551 0.32967} H20 4918 -1 1 {} H 0.0 {0.613201 0.40376 0.314913} H21 4919 -1 1 {} H 0.0 {0.613147 0.371938 0.421658} H22 4920 -1 14 {} Si 0.0 {0.384378 0.560186 0.329913} Si1 4921 -1 8 {} O 0.0 {0.42903 0.611591 0.352608} O1 4922 -1 14 {} Si 0.0 {0.395381 0.550398 0.354196} Si2 4923 -1 8 {} O 0.0 {0.405222 0.562067 0.350292} O2 4924 -1 14 {} Si 0.0 {0.43698 0.54435 0.33886} Si3 4925 -1 7 {} N 0.0 {0.436982 0.559557 0.334444} N1 4926 -1 14 {} Si 0.0 {0.434072 0.568751 0.321599} Si4 4927 -1 14 {} Si 0.0 {0.390782 0.534365 0.328995} Si5 4928 -1 7 {} N 0.0 {0.426873 0.584346 0.32657} N2 4929 -1 7 {} N 0.0 {0.502982 0.523593 0.287543} N3 4930 -1 7 {} N 0.0 {0.42313 0.559826 0.30862} N4 4931 -1 7 {} N 0.0 {0.391852 0.551031 0.318463} N5 4932 -1 7 {} N 0.0 {0.434255 0.437379 0.302408} N6 4933 -1 7 {} N 0.0 {0.406476 0.523702 0.325817} N7 4934 -1 8 {} O 0.0 {0.369781 0.558566 0.335985} O3 4935 -1 6 {} C 0.0 {0.312012 0.621747 0.367073} C1 4936 -1 8 {} O 0.0 {0.402827 0.608865 0.386309} O4 4937 -1 7 {} N 0.0 {0.424822 0.541899 0.353614} N8 4938 -1 8 {} O 0.0 {0.437904 0.532773 0.327481} O5 4939 -1 1 {} H 0.0 {0.393594 0.542146 0.34065} H1 4940 -1 1 {} H 0.0 {0.402179 0.541468 0.363848} H2 4941 -1 1 {} H 0.0 {0.432798 0.591521 0.321917} H3 4942 -1 1 {} H 0.0 {0.429373 0.584952 0.336159} H4 4943 -1 1 {} H 0.0 {0.626783 0.0827052 0.40801} H5 4944 -1 1 {} H 0.0 {0.499077 0.514681 0.283768} H6 4945 -1 1 {} H 0.0 {0.423046 0.549889 0.310818} H7 4946 -1 1 {} H 0.0 {0.414223 0.563449 0.311667} H8 4947 -1 1 {} H 0.0 {0.40181 0.552305 0.317313} H9 4948 -1 1 {} H 0.0 {0.402962 0.641038 0.360945} H10 4949 -1 1 {} H 0.0 {0.434037 0.437665 0.292238} H11 4950 -1 1 {} H 0.0 {0.434175 0.427221 0.305165} H12 4951 -1 1 {} H 0.0 {0.412496 0.528874 0.332112} H13 4952 -1 1 {} H 0.0 {0.408904 0.528285 0.316718} H14 4953 -1 1 {} H 0.0 {0.370775 0.557618 0.34549} H15 4954 -1 1 {} H 0.0 {0.390495 0.575249 0.332432} H16 4955 -1 1 {} H 0.0 {0.402343 0.570805 0.354447} H17 4956 -1 1 {} H 0.0 {0.310715 0.61556 0.358844} H18 4957 -1 1 {} H 0.0 {0.437232 0.616011 0.348909} H19 4958 -1 1 {} H 0.0 {0.430752 0.540817 0.361846} H20 4959 -1 1 {} H 0.0 {0.420303 0.551141 0.353562} H21 4960 -1 1 {} H 0.0 {0.444562 0.526819 0.331023} H22 4961 -1 14 {} Si 0.0 {0.599679 0.447164 0.440141} Si1 4962 -1 8 {} O 0.0 {0.595115 0.442269 0.425043} O1 4963 -1 14 {} Si 0.0 {0.545826 0.438589 0.434362} Si2 4964 -1 8 {} O 0.0 {0.538584 0.424455 0.42688} O2 4965 -1 14 {} Si 0.0 {0.524868 0.431172 0.429604} Si3 4966 -1 7 {} N 0.0 {0.534458 0.449736 0.431363} N1 4967 -1 14 {} Si 0.0 {0.526517 0.461621 0.438942} Si4 4968 -1 14 {} Si 0.0 {0.544051 0.455517 0.415337} Si5 4969 -1 7 {} N 0.0 {0.533948 0.479441 0.43841} N2 4970 -1 7 {} N 0.0 {0.526763 0.457224 0.458194} N3 4971 -1 7 {} N 0.0 {0.508278 0.460367 0.431514} N4 4972 -1 7 {} N 0.0 {0.559635 0.466405 0.419546} N5 4973 -1 7 {} N 0.0 {0.547103 0.442555 0.402691} N6 4974 -1 7 {} N 0.0 {0.531275 0.468129 0.407829} N7 4975 -1 8 {} O 0.0 {0.612235 0.436966 0.441485} O3 4976 -1 6 {} C 0.0 {0.588425 0.451571 0.451066} C1 4977 -1 8 {} O 0.0 {0.611734 0.462636 0.42882} O4 4978 -1 7 {} N 0.0 {0.513417 0.427047 0.445323} N8 4979 -1 8 {} O 0.0 {0.578001 0.450577 0.397754} O5 4980 -1 1 {} H 0.0 {0.516779 0.453092 0.382443} H1 4981 -1 1 {} H 0.0 {0.651718 0.437586 0.393987} H2 4982 -1 1 {} H 0.0 {0.526374 0.485478 0.436241} H3 4983 -1 1 {} H 0.0 {0.534156 0.479787 0.448726} H4 4984 -1 1 {} H 0.0 {0.526193 0.447307 0.459059} H5 4985 -1 1 {} H 0.0 {0.535234 0.460031 0.462827} H6 4986 -1 1 {} H 0.0 {0.510302 0.455445 0.422822} H7 4987 -1 1 {} H 0.0 {0.50712 0.470518 0.428246} H8 4988 -1 1 {} H 0.0 {0.55546 0.47227 0.426861} H9 4989 -1 1 {} H 0.0 {0.560034 0.472286 0.411829} H10 4990 -1 1 {} H 0.0 {0.540747 0.446478 0.395719} H11 4991 -1 1 {} H 0.0 {0.543313 0.434357 0.406111} H12 4992 -1 1 {} H 0.0 {0.524634 0.47027 0.415315} H13 4993 -1 1 {} H 0.0 {0.526367 0.4614 0.402086} H14 4994 -1 1 {} H 0.0 {0.615166 0.433972 0.432681} H15 4995 -1 1 {} H 0.0 {0.576351 0.411251 0.448117} H16 4996 -1 1 {} H 0.0 {0.581771 0.443789 0.454035} H17 4997 -1 1 {} H 0.0 {0.589763 0.460105 0.456792} H18 4998 -1 1 {} H 0.0 {0.604541 0.462204 0.422551} H19 4999 -1 1 {} H 0.0 {0.510655 0.416998 0.444609} H20 5000 -1 1 {} H 0.0 {0.504578 0.43165 0.442528} H21 5001 -1 1 {} H 0.0 {0.568673 0.44665 0.397747} H22 5002 -1 14 {} Si 0.0 {0.484098 0.622833 0.449845} Si1 5003 -1 8 {} O 0.0 {0.497577 0.617698 0.442689} O1 5004 -1 14 {} Si 0.0 {0.509792 0.619024 0.433459} Si2 5005 -1 8 {} O 0.0 {0.507602 0.630283 0.422401} O2 5006 -1 14 {} Si 0.0 {0.499686 0.643036 0.41783} Si3 5007 -1 7 {} N 0.0 {0.508702 0.65176 0.406257} N1 5008 -1 14 {} Si 0.0 {0.508339 0.648725 0.389931} Si4 5009 -1 14 {} Si 0.0 {0.522665 0.660856 0.408975} Si5 5010 -1 7 {} N 0.0 {0.52042 0.635021 0.384307} N2 5011 -1 7 {} N 0.0 {0.512878 0.664119 0.379114} N3 5012 -1 7 {} N 0.0 {0.488824 0.646756 0.383779} N4 5013 -1 7 {} N 0.0 {0.519144 0.67912 0.413018} N5 5014 -1 7 {} N 0.0 {0.529609 0.65143 0.424474} N6 5015 -1 7 {} N 0.0 {0.537123 0.662603 0.397352} N7 5016 -1 8 {} O 0.0 {0.486324 0.616216 0.463937} O3 5017 -1 6 {} C 0.0 {0.466583 0.622491 0.440909} C1 5018 -1 8 {} O 0.0 {0.489801 0.63744 0.453563} O4 5019 -1 7 {} N 0.0 {0.491012 0.655909 0.430793} N8 5020 -1 8 {} O 0.0 {0.481335 0.63258 0.413804} O5 5021 -1 1 {} H 0.0 {0.513947 0.604241 0.427462} H1 5022 -1 1 {} H 0.0 {0.521256 0.622234 0.44386} H2 5023 -1 1 {} H 0.0 {0.528022 0.635151 0.391226} H3 5024 -1 1 {} H 0.0 {0.524044 0.639839 0.376125} H4 5025 -1 1 {} H 0.0 {0.50788 0.662488 0.3702} H5 5026 -1 1 {} H 0.0 {0.506949 0.671568 0.38406} H6 5027 -1 1 {} H 0.0 {0.488677 0.651534 0.374355} H7 5028 -1 1 {} H 0.0 {0.484698 0.65281 0.390618} H8 5029 -1 1 {} H 0.0 {0.51275 0.680037 0.421401} H9 5030 -1 1 {} H 0.0 {0.528231 0.682513 0.415661} H10 5031 -1 1 {} H 0.0 {0.522261 0.643866 0.423797} H11 5032 -1 1 {} H 0.0 {0.537992 0.646839 0.421305} H12 5033 -1 1 {} H 0.0 {0.535077 0.672069 0.394131} H13 5034 -1 1 {} H 0.0 {0.533311 0.656579 0.389973} H14 5035 -1 1 {} H 0.0 {0.481552 0.607814 0.464216} H15 5036 -1 1 {} H 0.0 {0.468304 0.617144 0.431897} H16 5037 -1 1 {} H 0.0 {0.463146 0.632351 0.439539} H17 5038 -1 1 {} H 0.0 {0.460019 0.617865 0.447158} H18 5039 -1 1 {} H 0.0 {0.493978 0.636058 0.462446} H19 5040 -1 1 {} H 0.0 {0.492409 0.650539 0.439289} H20 5041 -1 1 {} H 0.0 {0.49771 0.663535 0.428954} H21 5042 -1 1 {} H 0.0 {0.484745 0.623259 0.412638} H22 5043 -1 14 {} Si 0.0 {0.438766 0.385319 0.477941} Si1 5044 -1 8 {} O 0.0 {0.401132 0.385448 0.474094} O1 5045 -1 14 {} Si 0.0 {0.401394 0.371344 0.479798} Si2 5046 -1 8 {} O 0.0 {0.396915 0.407938 0.482695} O2 5047 -1 14 {} Si 0.0 {0.388871 0.420133 0.488482} Si3 5048 -1 7 {} N 0.0 {0.38348 0.416316 0.5068} N1 5049 -1 14 {} Si 0.0 {0.373289 0.4175 0.518795} Si4 5050 -1 14 {} Si 0.0 {0.398032 0.414987 0.513555} Si5 5051 -1 7 {} N 0.0 {0.373158 0.436138 0.526418} N2 5052 -1 7 {} N 0.0 {0.358303 0.409078 0.511625} N3 5053 -1 7 {} N 0.0 {0.374471 0.388186 0.492108} N4 5054 -1 7 {} N 0.0 {0.401144 0.398541 0.523482} N5 5055 -1 7 {} N 0.0 {0.43906 0.47312 0.490185} N6 5056 -1 7 {} N 0.0 {0.404576 0.429741 0.524348} N7 5057 -1 8 {} O 0.0 {0.440074 0.377305 0.492531} O3 5058 -1 6 {} C 0.0 {0.4242 0.403849 0.471189} C1 5059 -1 8 {} O 0.0 {0.438182 0.371461 0.469442} O4 5060 -1 7 {} N 0.0 {0.36879 0.421859 0.48109} N8 5061 -1 8 {} O 0.0 {0.399907 0.431211 0.485445} O5 5062 -1 1 {} H 0.0 {0.412649 0.365057 0.474389} H1 5063 -1 1 {} H 0.0 {0.405689 0.373674 0.493419} H2 5064 -1 1 {} H 0.0 {0.379591 0.43967 0.519326} H3 5065 -1 1 {} H 0.0 {0.372745 0.443861 0.533472} H4 5066 -1 1 {} H 0.0 {0.35959 0.40903 0.50147} H5 5067 -1 1 {} H 0.0 {0.350323 0.415416 0.513166} H6 5068 -1 1 {} H 0.0 {0.366903 0.390321 0.485066} H7 5069 -1 1 {} H 0.0 {0.37248 0.392202 0.501301} H8 5070 -1 1 {} H 0.0 {0.392765 0.391985 0.521485} H9 5071 -1 1 {} H 0.0 {0.40825 0.39374 0.518873} H10 5072 -1 1 {} H 0.0 {0.446401 0.472191 0.497269} H11 5073 -1 1 {} H 0.0 {0.443251 0.478672 0.483113} H12 5074 -1 1 {} H 0.0 {0.396414 0.433341 0.529068} H13 5075 -1 1 {} H 0.0 {0.411171 0.426656 0.531245} H14 5076 -1 1 {} H 0.0 {0.43675 0.383382 0.499687} H15 5077 -1 1 {} H 0.0 {0.418991 0.406204 0.431516} H16 5078 -1 1 {} H 0.0 {0.427503 0.413511 0.475244} H17 5079 -1 1 {} H 0.0 {0.425195 0.405542 0.460978} H18 5080 -1 1 {} H 0.0 {0.440393 0.373578 0.460014} H19 5081 -1 1 {} H 0.0 {0.365475 0.414534 0.48727} H20 5082 -1 1 {} H 0.0 {0.371275 0.41651 0.47221} H21 5083 -1 1 {} H 0.0 {0.408377 0.429248 0.489793} H22 5084 -1 14 {} Si 0.0 {0.434698 0.648012 0.595859} Si1 5085 -1 8 {} O 0.0 {0.43386 0.659884 0.60664} O1 5086 -1 14 {} Si 0.0 {0.432986 0.664255 0.622103} Si2 5087 -1 8 {} O 0.0 {0.418278 0.668871 0.623463} O2 5088 -1 14 {} Si 0.0 {0.407743 0.679423 0.627257} Si3 5089 -1 7 {} N 0.0 {0.39378 0.682604 0.614176} N1 5090 -1 14 {} Si 0.0 {0.393878 0.689918 0.599237} Si4 5091 -1 14 {} Si 0.0 {0.377721 0.678166 0.617108} Si5 5092 -1 7 {} N 0.0 {0.399578 0.708238 0.602154} N2 5093 -1 7 {} N 0.0 {0.379868 0.691607 0.587087} N3 5094 -1 7 {} N 0.0 {0.406662 0.681074 0.589919} N4 5095 -1 7 {} N 0.0 {0.374897 0.677564 0.635592} N5 5096 -1 7 {} N 0.0 {0.364015 0.691044 0.613913} N6 5097 -1 7 {} N 0.0 {0.371953 0.662507 0.610084} N7 5098 -1 8 {} O 0.0 {0.454954 0.647914 0.600436} O3 5099 -1 6 {} C 0.0 {0.424111 0.651933 0.57685} C1 5100 -1 8 {} O 0.0 {0.429275 0.637597 0.607218} O4 5101 -1 7 {} N 0.0 {0.416139 0.69627 0.630633} N8 5102 -1 8 {} O 0.0 {0.404191 0.672622 0.641445} O5 5103 -1 1 {} H 0.0 {0.435677 0.685117 0.625425} H1 5104 -1 1 {} H 0.0 {0.435856 0.651799 0.633839} H2 5105 -1 1 {} H 0.0 {0.395371 0.709634 0.611112} H3 5106 -1 1 {} H 0.0 {0.39376 0.712012 0.595117} H4 5107 -1 1 {} H 0.0 {0.377582 0.681386 0.588026} H5 5108 -1 1 {} H 0.0 {0.384672 0.690757 0.578154} H6 5109 -1 1 {} H 0.0 {0.401492 0.672295 0.588248} H7 5110 -1 1 {} H 0.0 {0.41344 0.679492 0.597189} H8 5111 -1 1 {} H 0.0 {0.367466 0.670629 0.636214} H9 5112 -1 1 {} H 0.0 {0.369756 0.686189 0.636674} H10 5113 -1 1 {} H 0.0 {0.368108 0.696673 0.606634} H11 5114 -1 1 {} H 0.0 {0.366338 0.697122 0.621813} H12 5115 -1 1 {} H 0.0 {0.364586 0.659435 0.616559} H13 5116 -1 1 {} H 0.0 {0.366415 0.665325 0.601884} H14 5117 -1 1 {} H 0.0 {0.454638 0.640513 0.607527} H15 5118 -1 1 {} H 0.0 {0.423609 0.662186 0.575617} H16 5119 -1 1 {} H 0.0 {0.414048 0.648297 0.578139} H17 5120 -1 1 {} H 0.0 {0.429132 0.647551 0.568937} H18 5121 -1 1 {} H 0.0 {0.437134 0.632657 0.610558} H19 5122 -1 1 {} H 0.0 {0.414063 0.701247 0.622009} H20 5123 -1 1 {} H 0.0 {0.409338 0.700442 0.636774} H21 5124 -1 1 {} H 0.0 {0.394452 0.671666 0.641733} H22 5125 -1 14 {} Si 0.0 {0.557533 0.318922 0.537223} Si1 5126 -1 8 {} O 0.0 {0.537242 0.31665 0.5354} O1 5127 -1 14 {} Si 0.0 {0.526307 0.323485 0.544556} Si2 5128 -1 8 {} O 0.0 {0.514994 0.318901 0.535376} O2 5129 -1 14 {} Si 0.0 {0.509128 0.308183 0.525069} Si3 5130 -1 7 {} N 0.0 {0.513715 0.308853 0.506} N1 5131 -1 14 {} Si 0.0 {0.504839 0.296861 0.49677} Si4 5132 -1 14 {} Si 0.0 {0.522476 0.319226 0.497165} Si5 5133 -1 7 {} N 0.0 {0.501003 0.285343 0.507483} N2 5134 -1 7 {} N 0.0 {0.515888 0.290697 0.482018} N3 5135 -1 7 {} N 0.0 {0.488791 0.303712 0.490207} N4 5136 -1 7 {} N 0.0 {0.539762 0.316842 0.498155} N5 5137 -1 7 {} N 0.0 {0.519698 0.319688 0.477756} N6 5138 -1 7 {} N 0.0 {0.518438 0.338324 0.503013} N7 5139 -1 8 {} O 0.0 {0.562251 0.30226 0.541155} O3 5140 -1 6 {} C 0.0 {0.563518 0.332863 0.54587} C1 5141 -1 8 {} O 0.0 {0.561134 0.316199 0.522342} O4 5142 -1 7 {} N 0.0 {0.489926 0.310589 0.52361} N8 5143 -1 8 {} O 0.0 {0.537348 0.290121 0.53455} O5 5144 -1 1 {} H 0.0 {0.514497 0.339819 0.554721} H1 5145 -1 1 {} H 0.0 {0.526805 0.31592 0.555983} H2 5146 -1 1 {} H 0.0 {0.241934 0.587173 0.309599} H3 5147 -1 1 {} H 0.0 {0.505938 0.286529 0.516151} H4 5148 -1 1 {} H 0.0 {0.52496 0.294594 0.48133} H5 5149 -1 1 {} H 0.0 {0.516771 0.281226 0.485762} H6 5150 -1 1 {} H 0.0 {0.489959 0.313593 0.489875} H7 5151 -1 1 {} H 0.0 {0.4835 0.301944 0.499128} H8 5152 -1 1 {} H 0.0 {0.541946 0.310361 0.490465} H9 5153 -1 1 {} H 0.0 {0.543171 0.326132 0.49497} H10 5154 -1 1 {} H 0.0 {0.514177 0.311764 0.474839} H11 5155 -1 1 {} H 0.0 {0.512429 0.327587 0.477694} H12 5156 -1 1 {} H 0.0 {0.524283 0.337486 0.511797} H13 5157 -1 1 {} H 0.0 {0.508665 0.338643 0.505445} H14 5158 -1 1 {} H 0.0 {0.557012 0.297054 0.534984} H15 5159 -1 1 {} H 0.0 {0.538085 0.403351 0.603666} H16 5160 -1 1 {} H 0.0 {0.558334 0.341643 0.544304} H17 5161 -1 1 {} H 0.0 {0.571676 0.331714 0.552249} H18 5162 -1 1 {} H 0.0 {0.553102 0.315301 0.516213} H19 5163 -1 1 {} H 0.0 {0.487391 0.311802 0.533591} H20 5164 -1 1 {} H 0.0 {0.48631 0.302243 0.520934} H21 5165 -1 1 {} H 0.0 {0.537056 0.301097 0.53547} H22 5166 -1 14 {} Si 0.0 {0.392676 0.641186 0.589651} Si1 5167 -1 8 {} O 0.0 {0.394887 0.633927 0.576603} O1 5168 -1 14 {} Si 0.0 {0.389051 0.62344 0.566596} Si2 5169 -1 8 {} O 0.0 {0.377866 0.632553 0.560432} O2 5170 -1 14 {} Si 0.0 {0.372661 0.642858 0.54905} Si3 5171 -1 7 {} N 0.0 {0.380689 0.655092 0.54089} N1 5172 -1 14 {} Si 0.0 {0.374874 0.6726 0.536975} Si4 5173 -1 14 {} Si 0.0 {0.340165 0.604332 0.516634} Si5 5174 -1 7 {} N 0.0 {0.385959 0.671879 0.521685} N2 5175 -1 7 {} N 0.0 {0.383769 0.679728 0.552613} N3 5176 -1 7 {} N 0.0 {0.37016 0.690851 0.531462} N4 5177 -1 7 {} N 0.0 {0.697252 0.389913 0.375687} N5 5178 -1 7 {} N 0.0 {0.503011 0.662039 0.320665} N6 5179 -1 7 {} N 0.0 {0.340565 0.622321 0.622857} N7 5180 -1 8 {} O 0.0 {0.393338 0.655295 0.583661} O3 5181 -1 6 {} C 0.0 {0.403494 0.637011 0.604356} C1 5182 -1 8 {} O 0.0 {0.371643 0.638217 0.591652} O4 5183 -1 7 {} N 0.0 {0.315416 0.5822 0.524665} N8 5184 -1 8 {} O 0.0 {0.3585 0.63625 0.543983} O5 5185 -1 1 {} H 0.0 {0.361164 0.618814 0.58516} H1 5186 -1 1 {} H 0.0 {0.400149 0.618381 0.556463} H2 5187 -1 1 {} H 0.0 {0.391474 0.662877 0.521214} H3 5188 -1 1 {} H 0.0 {0.378443 0.670515 0.514947} H4 5189 -1 1 {} H 0.0 {0.38305 0.689563 0.551687} H5 5190 -1 1 {} H 0.0 {0.393202 0.676939 0.55068} H6 5191 -1 1 {} H 0.0 {0.378338 0.692565 0.52541} H7 5192 -1 1 {} H 0.0 {0.362136 0.689733 0.525082} H8 5193 -1 1 {} H 0.0 {0.326913 0.615281 0.513673} H9 5194 -1 1 {} H 0.0 {0.691758 0.390754 0.367307} H10 5195 -1 1 {} H 0.0 {0.506591 0.652409 0.320925} H11 5196 -1 1 {} H 0.0 {0.493668 0.6613 0.315818} H12 5197 -1 1 {} H 0.0 {0.350197 0.610032 0.57794} H13 5198 -1 1 {} H 0.0 {0.338395 0.320864 0.372045} H14 5199 -1 1 {} H 0.0 {0.383381 0.658417 0.581558} H15 5200 -1 1 {} H 0.0 {0.398444 0.633615 0.612614} H16 5201 -1 1 {} H 0.0 {0.409387 0.645558 0.605453} H17 5202 -1 1 {} H 0.0 {0.409062 0.628141 0.60142} H18 5203 -1 1 {} H 0.0 {0.369702 0.644535 0.599477} H19 5204 -1 1 {} H 0.0 {0.311547 0.572859 0.523454} H20 5205 -1 1 {} H 0.0 {0.323769 0.580376 0.530777} H21 5206 -1 1 {} H 0.0 {0.360043 0.626922 0.544535} H22 5207 -1 14 {} Si 0.0 {0.655713 0.650138 0.451875} Si1 5208 -1 8 {} O 0.0 {0.652927 0.66363 0.459387} O1 5209 -1 14 {} Si 0.0 {0.658126 0.673624 0.470478} Si2 5210 -1 8 {} O 0.0 {0.643892 0.677827 0.476786} O2 5211 -1 14 {} Si 0.0 {0.633983 0.684589 0.487937} Si3 5212 -1 7 {} N 0.0 {0.640368 0.626025 0.510555} N1 5213 -1 14 {} Si 0.0 {0.648748 0.617057 0.520447} Si4 5214 -1 14 {} Si 0.0 {0.637659 0.629822 0.495359} Si5 5215 -1 7 {} N 0.0 {0.663181 0.608461 0.512268} N2 5216 -1 7 {} N 0.0 {0.636869 0.603967 0.528366} N3 5217 -1 7 {} N 0.0 {0.656653 0.628328 0.533975} N4 5218 -1 7 {} N 0.0 {0.594153 0.588034 0.525993} N5 5219 -1 7 {} N 0.0 {0.630888 0.644789 0.492033} N6 5220 -1 7 {} N 0.0 {0.651186 0.542974 0.474206} N7 5221 -1 8 {} O 0.0 {0.68187 0.675375 0.54477} O3 5222 -1 6 {} C 0.0 {0.646838 0.648746 0.427304} C1 5223 -1 8 {} O 0.0 {0.660645 0.6572 0.435353} O4 5224 -1 7 {} N 0.0 {0.618391 0.696381 0.483615} N8 5225 -1 8 {} O 0.0 {0.643347 0.688894 0.497268} O5 5226 -1 1 {} H 0.0 {0.664345 0.684683 0.465101} H1 5227 -1 1 {} H 0.0 {0.667407 0.665999 0.482113} H2 5228 -1 1 {} H 0.0 {0.669331 0.60384 0.519091} H3 5229 -1 1 {} H 0.0 {0.668869 0.616517 0.508981} H4 5230 -1 1 {} H 0.0 {0.62757 0.607518 0.525956} H5 5231 -1 1 {} H 0.0 {0.63745 0.595398 0.523044} H6 5232 -1 1 {} H 0.0 {0.665173 0.631388 0.528958} H7 5233 -1 1 {} H 0.0 {0.649879 0.635796 0.534019} H8 5234 -1 1 {} H 0.0 {0.598774 0.590981 0.535109} H9 5235 -1 1 {} H 0.0 {0.602387 0.588288 0.519682} H10 5236 -1 1 {} H 0.0 {0.649642 0.613952 0.488378} H11 5237 -1 1 {} H 0.0 {0.6303 0.648879 0.48207} H12 5238 -1 1 {} H 0.0 {0.641931 0.539058 0.475353} H13 5239 -1 1 {} H 0.0 {0.654249 0.545146 0.483856} H14 5240 -1 1 {} H 0.0 {0.673265 0.677914 0.539982} H15 5241 -1 1 {} H 0.0 {0.637595 0.646091 0.432988} H16 5242 -1 1 {} H 0.0 {0.65125 0.640097 0.421165} H17 5243 -1 1 {} H 0.0 {0.644317 0.656254 0.420234} H18 5244 -1 1 {} H 0.0 {0.656336 0.666054 0.434983} H19 5245 -1 1 {} H 0.0 {0.622672 0.702662 0.478071} H20 5246 -1 1 {} H 0.0 {0.617184 0.701879 0.492126} H21 5247 -1 1 {} H 0.0 {0.538734 0.578563 0.668786} H22 5248 -1 14 {} Si 0.0 {0.591691 0.517235 0.257636} Si1 5249 -1 8 {} O 0.0 {0.585354 0.539893 0.240883} O1 5250 -1 14 {} Si 0.0 {0.574359 0.531325 0.248196} Si2 5251 -1 8 {} O 0.0 {0.638147 0.475375 0.657927} O2 5252 -1 14 {} Si 0.0 {0.593003 0.553557 0.240761} Si3 5253 -1 7 {} N 0.0 {0.659015 0.59867 0.663236} N1 5254 -1 14 {} Si 0.0 {0.661154 0.614664 0.661174} Si4 5255 -1 14 {} Si 0.0 {0.64772 0.590037 0.669209} Si5 5256 -1 7 {} N 0.0 {0.680466 0.618099 0.659406} N2 5257 -1 7 {} N 0.0 {0.65703 0.625236 0.676791} N3 5258 -1 7 {} N 0.0 {0.646682 0.618905 0.648495} N4 5259 -1 7 {} N 0.0 {0.652311 0.58545 0.687477} N5 5260 -1 7 {} N 0.0 {0.642766 0.558235 0.262925} N6 5261 -1 7 {} N 0.0 {0.647519 0.573491 0.661971} N7 5262 -1 8 {} O 0.0 {0.580087 0.521765 0.267344} O3 5263 -1 6 {} C 0.0 {0.6092 0.522914 0.253259} C1 5264 -1 8 {} O 0.0 {0.58582 0.503697 0.251089} O4 5265 -1 7 {} N 0.0 {0.608778 0.553558 0.239781} N8 5266 -1 8 {} O 0.0 {0.584408 0.564864 0.247549} O5 5267 -1 1 {} H 0.0 {0.560646 0.537825 0.24874} H1 5268 -1 1 {} H 0.0 {0.572505 0.520141 0.237385} H2 5269 -1 1 {} H 0.0 {0.683348 0.610882 0.666272} H3 5270 -1 1 {} H 0.0 {0.680841 0.626477 0.664554} H4 5271 -1 1 {} H 0.0 {0.666099 0.624932 0.68181} H5 5272 -1 1 {} H 0.0 {0.657056 0.635059 0.67365} H6 5273 -1 1 {} H 0.0 {0.641205 0.610226 0.650177} H7 5274 -1 1 {} H 0.0 {0.642605 0.625713 0.654193} H8 5275 -1 1 {} H 0.0 {0.655184 0.57566 0.686729} H9 5276 -1 1 {} H 0.0 {0.643338 0.584783 0.691966} H10 5277 -1 1 {} H 0.0 {0.739844 0.660992 0.600238} H11 5278 -1 1 {} H 0.0 {0.647562 0.552191 0.256104} H12 5279 -1 1 {} H 0.0 {0.64788 0.574827 0.652319} H13 5280 -1 1 {} H 0.0 {0.638875 0.568782 0.664212} H14 5281 -1 1 {} H 0.0 {0.647216 0.556735 0.272379} H15 5282 -1 1 {} H 0.0 {0.615745 0.51683 0.259419} H16 5283 -1 1 {} H 0.0 {0.609723 0.533929 0.255595} H17 5284 -1 1 {} H 0.0 {0.61051 0.522251 0.242448} H18 5285 -1 1 {} H 0.0 {0.641652 0.484202 0.654517} H19 5286 -1 1 {} H 0.0 {0.613663 0.556614 0.231343} H20 5287 -1 1 {} H 0.0 {0.497493 0.671992 0.402954} H21 5288 -1 1 {} H 0.0 {0.583654 0.563004 0.257311} H22 5289 -1 14 {} Si 0.0 {0.432257 0.603617 0.523451} Si1 5290 -1 8 {} O 0.0 {0.430364 0.590294 0.531195} O1 5291 -1 14 {} Si 0.0 {0.428028 0.574857 0.529014} Si2 5292 -1 8 {} O 0.0 {0.438186 0.571504 0.518516} O2 5293 -1 14 {} Si 0.0 {0.448664 0.575271 0.507318} Si3 5294 -1 7 {} N 0.0 {0.453811 0.558146 0.500135} N1 5295 -1 14 {} Si 0.0 {0.455417 0.543303 0.507304} Si4 5296 -1 14 {} Si 0.0 {0.453502 0.554574 0.484102} Si5 5297 -1 7 {} N 0.0 {0.470299 0.545473 0.520215} N2 5298 -1 7 {} N 0.0 {0.461637 0.528013 0.498148} N3 5299 -1 7 {} N 0.0 {0.439648 0.539641 0.51828} N4 5300 -1 7 {} N 0.0 {0.471505 0.552279 0.476669} N5 5301 -1 7 {} N 0.0 {0.441545 0.540595 0.478638} N6 5302 -1 7 {} N 0.0 {0.445968 0.569299 0.475109} N7 5303 -1 8 {} O 0.0 {0.425918 0.625575 0.54924} O3 5304 -1 6 {} C 0.0 {0.416831 0.610623 0.515415} C1 5305 -1 8 {} O 0.0 {0.442186 0.611589 0.532464} O4 5306 -1 7 {} N 0.0 {0.466706 0.580806 0.508351} N8 5307 -1 8 {} O 0.0 {0.441796 0.588566 0.501636} O5 5308 -1 1 {} H 0.0 {0.414923 0.573146 0.519668} H1 5309 -1 1 {} H 0.0 {0.47367 0.587064 0.525809} H2 5310 -1 1 {} H 0.0 {0.463654 0.546436 0.527605} H3 5311 -1 1 {} H 0.0 {0.473732 0.554684 0.518251} H4 5312 -1 1 {} H 0.0 {0.471913 0.528242 0.496858} H5 5313 -1 1 {} H 0.0 {0.4611 0.521383 0.505824} H6 5314 -1 1 {} H 0.0 {0.435601 0.548485 0.517732} H7 5315 -1 1 {} H 0.0 {0.444698 0.539144 0.526942} H8 5316 -1 1 {} H 0.0 {0.468208 0.548373 0.46779} H9 5317 -1 1 {} H 0.0 {0.472215 0.562458 0.474245} H10 5318 -1 1 {} H 0.0 {0.433248 0.541716 0.484362} H11 5319 -1 1 {} H 0.0 {0.446083 0.53261 0.483494} H12 5320 -1 1 {} H 0.0 {0.438944 0.565107 0.468985} H13 5321 -1 1 {} H 0.0 {0.454012 0.57017 0.468216} H14 5322 -1 1 {} H 0.0 {0.432043 0.623596 0.541177} H15 5323 -1 1 {} H 0.0 {0.414996 0.602338 0.508854} H16 5324 -1 1 {} H 0.0 {0.419402 0.62073 0.511135} H17 5325 -1 1 {} H 0.0 {0.409 0.611097 0.522772} H18 5326 -1 1 {} H 0.0 {0.451101 0.61423 0.52749} H19 5327 -1 1 {} H 0.0 {0.466995 0.588748 0.501586} H20 5328 -1 1 {} H 0.0 {0.471958 0.573544 0.504629} H21 5329 -1 1 {} H 0.0 {0.439917 0.595476 0.509747} H22 5330 -1 14 {} Si 0.0 {0.307738 0.411629 0.503483} Si1 5331 -1 8 {} O 0.0 {0.305217 0.42457 0.514527} O1 5332 -1 14 {} Si 0.0 {0.299838 0.430302 0.52739} Si2 5333 -1 8 {} O 0.0 {0.312398 0.427415 0.537067} O2 5334 -1 14 {} Si 0.0 {0.31647 0.42182 0.551468} Si3 5335 -1 7 {} N 0.0 {0.301847 0.417821 0.563334} N1 5336 -1 14 {} Si 0.0 {0.284377 0.418793 0.553334} Si4 5337 -1 14 {} Si 0.0 {0.303167 0.418807 0.579172} Si5 5338 -1 7 {} N 0.0 {0.285436 0.426734 0.535992} N2 5339 -1 7 {} N 0.0 {0.275203 0.433781 0.562538} N3 5340 -1 7 {} N 0.0 {0.275721 0.405656 0.555443} N4 5341 -1 7 {} N 0.0 {0.291232 0.406361 0.5855} N5 5342 -1 7 {} N 0.0 {0.320107 0.413862 0.585725} N6 5343 -1 7 {} N 0.0 {0.296505 0.436557 0.586887} N7 5344 -1 8 {} O 0.0 {0.328598 0.412625 0.503525} O3 5345 -1 6 {} C 0.0 {0.298425 0.407785 0.49084} C1 5346 -1 8 {} O 0.0 {0.313137 0.397549 0.519005} O4 5347 -1 7 {} N 0.0 {0.324412 0.434678 0.560579} N8 5348 -1 8 {} O 0.0 {0.325919 0.409302 0.548131} O5 5349 -1 1 {} H 0.0 {0.323361 0.393344 0.516945} H1 5350 -1 1 {} H 0.0 {0.297943 0.447655 0.524634} H2 5351 -1 1 {} H 0.0 {0.279833 0.419565 0.532164} H3 5352 -1 1 {} H 0.0 {0.751905 0.410432 0.439505} H4 5353 -1 1 {} H 0.0 {0.267625 0.432493 0.569279} H5 5354 -1 1 {} H 0.0 {0.271178 0.439434 0.554698} H6 5355 -1 1 {} H 0.0 {0.72589 0.375849 0.430871} H7 5356 -1 1 {} H 0.0 {0.281526 0.397407 0.554176} H8 5357 -1 1 {} H 0.0 {0.294176 0.397596 0.581431} H9 5358 -1 1 {} H 0.0 {0.282497 0.408348 0.580984} H10 5359 -1 1 {} H 0.0 {0.3179 0.404882 0.590218} H11 5360 -1 1 {} H 0.0 {0.324269 0.410414 0.576938} H12 5361 -1 1 {} H 0.0 {0.303678 0.438352 0.594274} H13 5362 -1 1 {} H 0.0 {0.289401 0.431776 0.592567} H14 5363 -1 1 {} H 0.0 {0.330518 0.41027 0.494569} H15 5364 -1 1 {} H 0.0 {0.309382 0.406812 0.477085} H16 5365 -1 1 {} H 0.0 {0.29076 0.414798 0.488942} H17 5366 -1 1 {} H 0.0 {0.29504 0.397232 0.491229} H18 5367 -1 1 {} H 0.0 {0.315218 0.404328 0.525599} H19 5368 -1 1 {} H 0.0 {0.319268 0.434278 0.569353} H20 5369 -1 1 {} H 0.0 {0.322257 0.442765 0.554684} H21 5370 -1 1 {} H 0.0 {0.334735 0.412773 0.54855} H22 5371 -1 14 {} Si 0.0 {0.306064 0.601454 0.385705} Si1 5372 -1 8 {} O 0.0 {0.308294 0.638752 0.363487} O1 5373 -1 14 {} Si 0.0 {0.328436 0.626173 0.370439} Si2 5374 -1 8 {} O 0.0 {0.340737 0.621942 0.361518} O2 5375 -1 14 {} Si 0.0 {0.349155 0.621014 0.348627} Si3 5376 -1 7 {} N 0.0 {0.396829 0.581344 0.370728} N1 5377 -1 14 {} Si 0.0 {0.392676 0.599529 0.376716} Si4 5378 -1 14 {} Si 0.0 {0.363464 0.662758 0.382714} Si5 5379 -1 7 {} N 0.0 {0.396672 0.635372 0.366074} N2 5380 -1 7 {} N 0.0 {0.331752 0.600611 0.399397} N3 5381 -1 7 {} N 0.0 {0.456613 0.601238 0.323447} N4 5382 -1 7 {} N 0.0 {0.36838 0.665182 0.367353} N5 5383 -1 7 {} N 0.0 {0.488089 0.673709 0.368444} N6 5384 -1 7 {} N 0.0 {0.370383 0.646916 0.390949} N7 5385 -1 8 {} O 0.0 {0.304488 0.617375 0.382336} O3 5386 -1 6 {} C 0.0 {0.301933 0.588658 0.376203} C1 5387 -1 8 {} O 0.0 {0.312476 0.602056 0.39973} O4 5388 -1 7 {} N 0.0 {0.365005 0.627903 0.35117} N8 5389 -1 8 {} O 0.0 {0.348177 0.605127 0.348206} O5 5390 -1 1 {} H 0.0 {0.330402 0.62205 0.384878} H1 5391 -1 1 {} H 0.0 {0.331538 0.643613 0.37399} H2 5392 -1 1 {} H 0.0 {0.425968 0.442363 0.305864} H3 5393 -1 1 {} H 0.0 {0.42144 0.612278 0.345111} H4 5394 -1 1 {} H 0.0 {0.334497 0.606561 0.407266} H5 5395 -1 1 {} H 0.0 {0.344648 0.571673 0.527781} H6 5396 -1 1 {} H 0.0 {0.377577 0.609587 0.387192} H7 5397 -1 1 {} H 0.0 {0.38887 0.620892 0.418861} H8 5398 -1 1 {} H 0.0 {0.372931 0.660166 0.360206} H9 5399 -1 1 {} H 0.0 {0.489745 0.683008 0.364191} H10 5400 -1 1 {} H 0.0 {0.483509 0.675805 0.377639} H11 5401 -1 1 {} H 0.0 {0.480132 0.668992 0.363601} H12 5402 -1 1 {} H 0.0 {0.369134 0.639421 0.38486} H13 5403 -1 1 {} H 0.0 {0.380132 0.649798 0.389895} H14 5404 -1 1 {} H 0.0 {0.309934 0.623273 0.38905} H15 5405 -1 1 {} H 0.0 {0.298115 0.580171 0.381071} H16 5406 -1 1 {} H 0.0 {0.310367 0.659076 0.491176} H17 5407 -1 1 {} H 0.0 {0.307943 0.587366 0.367628} H18 5408 -1 1 {} H 0.0 {0.335587 0.59152 0.401776} H19 5409 -1 1 {} H 0.0 {0.366892 0.626472 0.361189} H20 5410 -1 1 {} H 0.0 {0.365397 0.638282 0.349911} H21 5411 -1 1 {} H 0.0 {0.355005 0.601509 0.35366} H22 5412 -1 14 {} Si 0.0 {0.383504 0.291583 0.449514} Si1 5413 -1 8 {} O 0.0 {0.396724 0.297403 0.456748} O1 5414 -1 14 {} Si 0.0 {0.324751 0.638685 0.485235} Si2 5415 -1 8 {} O 0.0 {0.322687 0.631549 0.471626} O2 5416 -1 14 {} Si 0.0 {0.331397 0.627762 0.459019} Si3 5417 -1 7 {} N 0.0 {0.327149 0.630844 0.443773} N1 5418 -1 14 {} Si 0.0 {0.31365 0.61504 0.445164} Si4 5419 -1 14 {} Si 0.0 {0.319326 0.648282 0.436813} Si5 5420 -1 7 {} N 0.0 {0.299039 0.62016 0.442886} N2 5421 -1 7 {} N 0.0 {0.314757 0.601853 0.461275} N3 5422 -1 7 {} N 0.0 {0.31981 0.601601 0.432262} N4 5423 -1 7 {} N 0.0 {0.323355 0.290826 0.484956} N5 5424 -1 7 {} N 0.0 {0.330444 0.663845 0.441555} N6 5425 -1 7 {} N 0.0 {0.307273 0.647977 0.45169} N7 5426 -1 8 {} O 0.0 {0.374728 0.310292 0.451059} O3 5427 -1 6 {} C 0.0 {0.376454 0.276681 0.452435} C1 5428 -1 8 {} O 0.0 {0.391233 0.298144 0.430942} O4 5429 -1 7 {} N 0.0 {0.385216 0.703692 0.502273} N8 5430 -1 8 {} O 0.0 {0.340196 0.643544 0.486354} O5 5431 -1 1 {} H 0.0 {0.395385 0.305949 0.461593} H1 5432 -1 1 {} H 0.0 {0.319817 0.630953 0.49945} H2 5433 -1 1 {} H 0.0 {0.676653 0.622186 0.548065} H3 5434 -1 1 {} H 0.0 {0.298341 0.630446 0.445096} H4 5435 -1 1 {} H 0.0 {0.311688 0.594135 0.455528} H5 5436 -1 1 {} H 0.0 {0.305326 0.605165 0.465678} H6 5437 -1 1 {} H 0.0 {0.31144 0.595717 0.432361} H7 5438 -1 1 {} H 0.0 {0.319946 0.605474 0.423151} H8 5439 -1 1 {} H 0.0 {0.317812 0.299506 0.486723} H9 5440 -1 1 {} H 0.0 {0.316905 0.285522 0.478739} H10 5441 -1 1 {} H 0.0 {0.329221 0.6699 0.433685} H11 5442 -1 1 {} H 0.0 {0.339347 0.659213 0.440407} H12 5443 -1 1 {} H 0.0 {0.308078 0.657596 0.454952} H13 5444 -1 1 {} H 0.0 {0.312129 0.641874 0.45845} H14 5445 -1 1 {} H 0.0 {0.38029 0.315642 0.457248} H15 5446 -1 1 {} H 0.0 {0.354816 0.667858 0.477118} H16 5447 -1 1 {} H 0.0 {0.908153 0.488645 0.418349} H17 5448 -1 1 {} H 0.0 {0.370342 0.268739 0.456991} H18 5449 -1 1 {} H 0.0 {0.388653 0.307828 0.429958} H19 5450 -1 1 {} H 0.0 {0.39479 0.700118 0.505584} H20 5451 -1 1 {} H 0.0 {0.377775 0.698502 0.507964} H21 5452 -1 1 {} H 0.0 {0.345248 0.635413 0.487725} H22 5453 -1 14 {} Si 0.0 {0.540931 0.656966 0.292257} Si1 5454 -1 8 {} O 0.0 {0.538201 0.332285 0.315362} O1 5455 -1 14 {} Si 0.0 {0.526993 0.343192 0.313049} Si2 5456 -1 8 {} O 0.0 {0.516507 0.339234 0.323264} O2 5457 -1 14 {} Si 0.0 {0.509037 0.340467 0.336897} Si3 5458 -1 7 {} N 0.0 {0.502982 0.325081 0.343332} N1 5459 -1 14 {} Si 0.0 {0.486791 0.306101 0.337881} Si4 5460 -1 14 {} Si 0.0 {0.511821 0.311751 0.346624} Si5 5461 -1 7 {} N 0.0 {0.473731 0.298929 0.350012} N2 5462 -1 7 {} N 0.0 {0.481977 0.302641 0.320261} N3 5463 -1 7 {} N 0.0 {0.487864 0.322384 0.341328} N4 5464 -1 7 {} N 0.0 {0.526666 0.308199 0.336263} N5 5465 -1 7 {} N 0.0 {0.515516 0.309867 0.365895} N6 5466 -1 7 {} N 0.0 {0.502678 0.293258 0.341894} N7 5467 -1 8 {} O 0.0 {0.53946 0.641644 0.289345} O3 5468 -1 6 {} C 0.0 {0.544814 0.672509 0.28186} C1 5469 -1 8 {} O 0.0 {0.54479 0.655319 0.307308} O4 5470 -1 7 {} N 0.0 {0.49356 0.352315 0.336929} N8 5471 -1 8 {} O 0.0 {0.521301 0.346025 0.345456} O5 5472 -1 1 {} H 0.0 {0.52077 0.343377 0.300108} H1 5473 -1 1 {} H 0.0 {0.532246 0.35714 0.316761} H2 5474 -1 1 {} H 0.0 {0.467498 0.294351 0.343871} H3 5475 -1 1 {} H 0.0 {0.469279 0.3077 0.353116} H4 5476 -1 1 {} H 0.0 {0.485839 0.294554 0.316465} H5 5477 -1 1 {} H 0.0 {0.485966 0.310435 0.31542} H6 5478 -1 1 {} H 0.0 {0.500848 0.364909 0.367598} H7 5479 -1 1 {} H 0.0 {0.481761 0.324246 0.349183} H8 5480 -1 1 {} H 0.0 {0.523418 0.309456 0.32713} H9 5481 -1 1 {} H 0.0 {0.533199 0.315693 0.338668} H10 5482 -1 1 {} H 0.0 {0.508958 0.317307 0.368834} H11 5483 -1 1 {} H 0.0 {0.510854 0.300771 0.366692} H12 5484 -1 1 {} H 0.0 {0.506731 0.29372 0.332138} H13 5485 -1 1 {} H 0.0 {0.498613 0.290214 0.350679} H14 5486 -1 1 {} H 0.0 {0.547212 0.63676 0.292323} H15 5487 -1 1 {} H 0.0 {0.53559 0.675691 0.277883} H16 5488 -1 1 {} H 0.0 {0.550594 0.668585 0.273925} H17 5489 -1 1 {} H 0.0 {0.549902 0.680042 0.287242} H18 5490 -1 1 {} H 0.0 {0.559472 0.672596 0.313391} H19 5491 -1 1 {} H 0.0 {0.499048 0.360807 0.335696} H20 5492 -1 1 {} H 0.0 {0.491633 0.354151 0.346947} H21 5493 -1 1 {} H 0.0 {0.529361 0.34108 0.344884} H22 5494 -1 14 {} Si 0.0 {0.549077 0.473017 0.31742} Si1 5495 -1 8 {} O 0.0 {0.542773 0.458706 0.313862} O1 5496 -1 14 {} Si 0.0 {0.540526 0.443783 0.316883} Si2 5497 -1 8 {} O 0.0 {0.646202 0.332869 0.657481} O2 5498 -1 14 {} Si 0.0 {0.637135 0.345427 0.66307} Si3 5499 -1 7 {} N 0.0 {0.624268 0.354957 0.65182} N1 5500 -1 14 {} Si 0.0 {0.611248 0.343757 0.642102} Si4 5501 -1 14 {} Si 0.0 {0.625906 0.365553 0.639042} Si5 5502 -1 7 {} N 0.0 {0.593356 0.351421 0.638532} N2 5503 -1 7 {} N 0.0 {0.606237 0.330078 0.656865} N3 5504 -1 7 {} N 0.0 {0.614281 0.334601 0.628112} N4 5505 -1 7 {} N 0.0 {0.644522 0.366418 0.633439} N5 5506 -1 7 {} N 0.0 {0.616126 0.366364 0.623344} N6 5507 -1 7 {} N 0.0 {0.620835 0.382733 0.646432} N7 5508 -1 8 {} O 0.0 {0.564127 0.468993 0.312877} O3 5509 -1 6 {} C 0.0 {0.548401 0.474932 0.341413} C1 5510 -1 8 {} O 0.0 {0.626419 0.439008 0.65737} O4 5511 -1 7 {} N 0.0 {0.648061 0.358096 0.667486} N8 5512 -1 8 {} O 0.0 {0.629092 0.33802 0.67454} O5 5513 -1 1 {} H 0.0 {0.527344 0.441216 0.320794} H1 5514 -1 1 {} H 0.0 {0.546321 0.4343 0.30492} H2 5515 -1 1 {} H 0.0 {0.595552 0.359411 0.632217} H3 5516 -1 1 {} H 0.0 {0.589635 0.343841 0.632907} H4 5517 -1 1 {} H 0.0 {0.600812 0.336984 0.662572} H5 5518 -1 1 {} H 0.0 {0.614762 0.328693 0.661847} H6 5519 -1 1 {} H 0.0 {0.609157 0.337994 0.619681} H7 5520 -1 1 {} H 0.0 {0.611962 0.324573 0.629087} H8 5521 -1 1 {} H 0.0 {0.6477 0.368022 0.643466} H9 5522 -1 1 {} H 0.0 {0.64599 0.3563 0.632849} H10 5523 -1 1 {} H 0.0 {0.619686 0.357839 0.618703} H11 5524 -1 1 {} H 0.0 {0.620489 0.37419 0.617987} H12 5525 -1 1 {} H 0.0 {0.614277 0.384966 0.638939} H13 5526 -1 1 {} H 0.0 {0.628587 0.388839 0.64382} H14 5527 -1 1 {} H 0.0 {0.565709 0.460072 0.3162} H15 5528 -1 1 {} H 0.0 {0.540493 0.481586 0.343116} H16 5529 -1 1 {} H 0.0 {0.557774 0.478001 0.345609} H17 5530 -1 1 {} H 0.0 {0.54621 0.464983 0.344095} H18 5531 -1 1 {} H 0.0 {0.639027 0.412211 0.582154} H19 5532 -1 1 {} H 0.0 {0.655619 0.352769 0.671978} H20 5533 -1 1 {} H 0.0 {0.644763 0.36546 0.674028} H21 5534 -1 1 {} H 0.0 {0.63264 0.340877 0.682811} H22 5535 -1 14 {} Si 0.0 {0.340632 0.457748 0.38512} Si1 5536 -1 8 {} O 0.0 {0.346665 0.456965 0.370283} O1 5537 -1 14 {} Si 0.0 {0.355106 0.462606 0.358582} Si2 5538 -1 8 {} O 0.0 {0.366887 0.472917 0.363803} O2 5539 -1 14 {} Si 0.0 {0.369291 0.485912 0.372313} Si3 5540 -1 7 {} N 0.0 {0.387287 0.494134 0.369223} N1 5541 -1 14 {} Si 0.0 {0.401452 0.487475 0.373218} Si4 5542 -1 14 {} Si 0.0 {0.386755 0.506127 0.358148} Si5 5543 -1 7 {} N 0.0 {0.397603 0.470287 0.380023} N2 5544 -1 7 {} N 0.0 {0.410079 0.497967 0.387464} N3 5545 -1 7 {} N 0.0 {0.416555 0.486695 0.359707} N4 5546 -1 7 {} N 0.0 {0.402285 0.517552 0.357338} N5 5547 -1 7 {} N 0.0 {0.381466 0.499872 0.339411} N6 5548 -1 7 {} N 0.0 {0.374621 0.520362 0.363716} N7 5549 -1 8 {} O 0.0 {0.330438 0.468748 0.378981} O3 5550 -1 6 {} C 0.0 {0.351672 0.461039 0.39953} C1 5551 -1 8 {} O 0.0 {0.326004 0.443348 0.383139} O4 5552 -1 7 {} N 0.0 {0.370652 0.484166 0.391123} N8 5553 -1 8 {} O 0.0 {0.356518 0.49356 0.36613} O5 5554 -1 1 {} H 0.0 {0.346227 0.470823 0.349417} H1 5555 -1 1 {} H 0.0 {0.361915 0.451316 0.352065} H2 5556 -1 1 {} H 0.0 {0.388806 0.468249 0.37595} H3 5557 -1 1 {} H 0.0 {0.403598 0.463324 0.375079} H4 5558 -1 1 {} H 0.0 {0.410842 0.491193 0.395004} H5 5559 -1 1 {} H 0.0 {0.419113 0.500568 0.383614} H6 5560 -1 1 {} H 0.0 {0.424267 0.491234 0.36543} H7 5561 -1 1 {} H 0.0 {0.418212 0.476582 0.360658} H8 5562 -1 1 {} H 0.0 {0.408462 0.513763 0.364726} H9 5563 -1 1 {} H 0.0 {0.406222 0.514515 0.349113} H10 5564 -1 1 {} H 0.0 {0.389673 0.503199 0.334981} H11 5565 -1 1 {} H 0.0 {0.383013 0.489441 0.339678} H12 5566 -1 1 {} H 0.0 {0.365895 0.514895 0.365184} H13 5567 -1 1 {} H 0.0 {0.378208 0.522064 0.372719} H14 5568 -1 1 {} H 0.0 {0.323017 0.463746 0.375661} H15 5569 -1 1 {} H 0.0 {0.358175 0.452767 0.400788} H16 5570 -1 1 {} H 0.0 {0.34547 0.462845 0.408015} H17 5571 -1 1 {} H 0.0 {0.357549 0.469491 0.397898} H18 5572 -1 1 {} H 0.0 {0.326919 0.439331 0.373884} H19 5573 -1 1 {} H 0.0 {0.373212 0.493633 0.393245} H20 5574 -1 1 {} H 0.0 {0.379338 0.478797 0.392452} H21 5575 -1 1 {} H 0.0 {0.348116 0.490944 0.372392} H22 5576 -1 14 {} Si 0.0 {0.388851 0.450408 0.449414} Si1 5577 -1 8 {} O 0.0 {0.392486 0.463836 0.4566} O1 5578 -1 14 {} Si 0.0 {0.356245 0.435411 0.487179} Si2 5579 -1 8 {} O 0.0 {0.360608 0.442471 0.500267} O2 5580 -1 14 {} Si 0.0 {0.356677 0.442987 0.515957} Si3 5581 -1 7 {} N 0.0 {0.347626 0.460429 0.521261} N1 5582 -1 14 {} Si 0.0 {0.353151 0.473806 0.512419} Si4 5583 -1 14 {} Si 0.0 {0.330991 0.462391 0.519489} Si5 5584 -1 7 {} N 0.0 {0.35242 0.490943 0.520675} N2 5585 -1 7 {} N 0.0 {0.345537 0.473522 0.495001} N3 5586 -1 7 {} N 0.0 {0.372329 0.470733 0.510072} N4 5587 -1 7 {} N 0.0 {0.325056 0.457691 0.536531} N5 5588 -1 7 {} N 0.0 {0.322489 0.478659 0.517216} N6 5589 -1 7 {} N 0.0 {0.321835 0.450616 0.504501} N7 5590 -1 8 {} O 0.0 {0.385988 0.459739 0.429454} O3 5591 -1 6 {} C 0.0 {0.398295 0.428382 0.456652} C1 5592 -1 8 {} O 0.0 {0.40617 0.440712 0.446772} O4 5593 -1 7 {} N 0.0 {0.385819 0.357601 0.486849} N8 5594 -1 8 {} O 0.0 {0.297097 0.461066 0.52197} O5 5595 -1 1 {} H 0.0 {0.445528 0.460654 0.312209} H1 5596 -1 1 {} H 0.0 {0.355517 0.447866 0.476408} H2 5597 -1 1 {} H 0.0 {0.361879 0.49036 0.524368} H3 5598 -1 1 {} H 0.0 {0.346348 0.495339 0.52788} H4 5599 -1 1 {} H 0.0 {0.335704 0.472183 0.497817} H5 5600 -1 1 {} H 0.0 {0.346534 0.483215 0.49277} H6 5601 -1 1 {} H 0.0 {0.370806 0.464015 0.502366} H7 5602 -1 1 {} H 0.0 {0.373296 0.479259 0.505039} H8 5603 -1 1 {} H 0.0 {0.327725 0.447831 0.537375} H9 5604 -1 1 {} H 0.0 {0.332082 0.462428 0.542012} H10 5605 -1 1 {} H 0.0 {0.329139 0.484797 0.521893} H11 5606 -1 1 {} H 0.0 {0.314635 0.478206 0.523698} H12 5607 -1 1 {} H 0.0 {0.311764 0.448494 0.504341} H13 5608 -1 1 {} H 0.0 {0.322588 0.458148 0.49762} H14 5609 -1 1 {} H 0.0 {0.382445 0.468516 0.433815} H15 5610 -1 1 {} H 0.0 {0.387914 0.425937 0.457469} H16 5611 -1 1 {} H 0.0 {0.403254 0.429607 0.466063} H17 5612 -1 1 {} H 0.0 {0.400868 0.419715 0.450645} H18 5613 -1 1 {} H 0.0 {0.40479 0.435967 0.437821} H19 5614 -1 1 {} H 0.0 {0.380037 0.365477 0.490436} H20 5615 -1 1 {} H 0.0 {0.380401 0.353981 0.478941} H21 5616 -1 1 {} H 0.0 {0.298725 0.465482 0.531312} H22 5617 -1 14 {} Si 0.0 {0.597119 0.362581 0.387154} Si1 5618 -1 8 {} O 0.0 {0.586875 0.350706 0.309232} O1 5619 -1 14 {} Si 0.0 {0.613469 0.343998 0.320163} Si2 5620 -1 8 {} O 0.0 {0.625869 0.337084 0.315252} O2 5621 -1 14 {} Si 0.0 {0.648072 0.32929 0.300152} Si3 5622 -1 7 {} N 0.0 {0.660823 0.339547 0.30277} N1 5623 -1 14 {} Si 0.0 {0.656665 0.352667 0.292834} Si4 5624 -1 14 {} Si 0.0 {0.634474 0.307029 0.660044} Si5 5625 -1 7 {} N 0.0 {0.668886 0.367058 0.299502} N2 5626 -1 7 {} N 0.0 {0.647731 0.332406 0.63714} N3 5627 -1 7 {} N 0.0 {0.637814 0.358287 0.297433} N4 5628 -1 7 {} N 0.0 {0.620621 0.302891 0.646041} N5 5629 -1 7 {} N 0.0 {0.611574 0.246476 0.61197} N6 5630 -1 7 {} N 0.0 {0.642795 0.295723 0.666716} N7 5631 -1 8 {} O 0.0 {0.458163 0.293716 0.409561} O3 5632 -1 6 {} C 0.0 {0.616724 0.353846 0.39589} C1 5633 -1 8 {} O 0.0 {0.588303 0.388795 0.388099} O4 5634 -1 7 {} N 0.0 {0.674641 0.333694 0.303871} N8 5635 -1 8 {} O 0.0 {0.548752 0.441311 0.329038} O5 5636 -1 1 {} H 0.0 {0.603073 0.331017 0.321893} H1 5637 -1 1 {} H 0.0 {0.616811 0.350944 0.335372} H2 5638 -1 1 {} H 0.0 {0.678415 0.362425 0.301918} H3 5639 -1 1 {} H 0.0 {0.664125 0.367866 0.30871} H4 5640 -1 1 {} H 0.0 {0.644927 0.322882 0.635335} H5 5641 -1 1 {} H 0.0 {0.658599 0.350785 0.279094} H6 5642 -1 1 {} H 0.0 {0.636481 0.351955 0.305303} H7 5643 -1 1 {} H 0.0 {0.640579 0.36771 0.3023} H8 5644 -1 1 {} H 0.0 {0.626217 0.296939 0.640024} H9 5645 -1 1 {} H 0.0 {0.61766 0.311862 0.641595} H10 5646 -1 1 {} H 0.0 {0.606999 0.251687 0.604026} H11 5647 -1 1 {} H 0.0 {0.614699 0.253497 0.618543} H12 5648 -1 1 {} H 0.0 {0.477947 0.409969 0.287245} H13 5649 -1 1 {} H 0.0 {0.643711 0.29257 0.676609} H14 5650 -1 1 {} H 0.0 {0.62749 0.281105 0.457411} H15 5651 -1 1 {} H 0.0 {0.620221 0.360958 0.402901} H16 5652 -1 1 {} H 0.0 {0.62768 0.373286 0.420671} H17 5653 -1 1 {} H 0.0 {0.6227 0.351765 0.387539} H18 5654 -1 1 {} H 0.0 {0.580905 0.386342 0.38182} H19 5655 -1 1 {} H 0.0 {0.676381 0.329104 0.295036} H20 5656 -1 1 {} H 0.0 {0.674786 0.325456 0.310002} H21 5657 -1 1 {} H 0.0 {0.558546 0.442055 0.327028} H22 5658 -1 14 {} Si 0.0 {0.668897 0.328443 0.604808} Si1 5659 -1 8 {} O 0.0 {0.681912 0.391404 0.32998} O1 5660 -1 14 {} Si 0.0 {0.396109 0.423511 0.656519} Si2 5661 -1 8 {} O 0.0 {0.330221 0.372609 0.294052} O2 5662 -1 14 {} Si 0.0 {0.327818 0.388087 0.297635} Si3 5663 -1 7 {} N 0.0 {0.319071 0.393007 0.309977} N1 5664 -1 14 {} Si 0.0 {0.308663 0.381021 0.312456} Si4 5665 -1 14 {} Si 0.0 {0.311643 0.404916 0.323808} Si5 5666 -1 7 {} N 0.0 {0.659465 0.390427 0.364079} N2 5667 -1 7 {} N 0.0 {0.309468 0.370214 0.329345} N3 5668 -1 7 {} N 0.0 {0.292365 0.378015 0.302125} N4 5669 -1 7 {} N 0.0 {0.327856 0.410317 0.336626} N5 5670 -1 7 {} N 0.0 {0.305334 0.418514 0.317663} N6 5671 -1 7 {} N 0.0 {0.29803 0.399813 0.337499} N7 5672 -1 8 {} O 0.0 {0.001025 0.933579 0.824697} O3 5673 -1 6 {} C 0.0 {0.658412 0.422642 0.325} C1 5674 -1 8 {} O 0.0 {0.663825 0.340865 0.614391} O4 5675 -1 7 {} N 0.0 {0.342176 0.401945 0.295156} N8 5676 -1 8 {} O 0.0 {0.32552 0.349866 0.307204} O5 5677 -1 1 {} H 0.0 {0.378854 0.429204 0.664072} H1 5678 -1 1 {} H 0.0 {0.00891444 0.937783 0.825785} H2 5679 -1 1 {} H 0.0 {0.65186 0.383807 0.361838} H3 5680 -1 1 {} H 0.0 {0.661383 0.394753 0.355221} H4 5681 -1 1 {} H 0.0 {0.302509 0.362715 0.326462} H5 5682 -1 1 {} H 0.0 {0.303944 0.376439 0.336176} H6 5683 -1 1 {} H 0.0 {0.292069 0.368083 0.300549} H7 5684 -1 1 {} H 0.0 {0.29533 0.3822 0.293554} H8 5685 -1 1 {} H 0.0 {0.332608 0.401459 0.335702} H9 5686 -1 1 {} H 0.0 {0.321389 0.409385 0.344192} H10 5687 -1 1 {} H 0.0 {0.325931 0.323191 0.268171} H11 5688 -1 1 {} H 0.0 {0.322638 0.317506 0.264843} H12 5689 -1 1 {} H 0.0 {0.303297 0.393007 0.342568} H13 5690 -1 1 {} H 0.0 {0.290948 0.394749 0.331769} H14 5691 -1 1 {} H 0.0 {0.99881 0.305691 0.886} H15 5692 -1 1 {} H 0.0 {0.625043 0.421718 0.582721} H16 5693 -1 1 {} H 0.0 {0.661173 0.413956 0.319307} H17 5694 -1 1 {} H 0.0 {0.660552 0.423333 0.335459} H18 5695 -1 1 {} H 0.0 {0.661734 0.337368 0.623566} H19 5696 -1 1 {} H 0.0 {0.350842 0.397068 0.292304} H20 5697 -1 1 {} H 0.0 {0.339495 0.406631 0.285759} H21 5698 -1 1 {} H 0.0 {0.362831 0.380091 0.578457} H22 5699 -1 14 {} Si 0.0 {0.643434 0.477102 0.620825} Si1 5700 -1 8 {} O 0.0 {0.64184 0.467621 0.633545} O1 5701 -1 14 {} Si 0.0 {0.643289 0.463815 0.648471} Si2 5702 -1 8 {} O 0.0 {0.658456 0.461516 0.649021} O2 5703 -1 14 {} Si 0.0 {0.673834 0.466939 0.647946} Si3 5704 -1 7 {} N 0.0 {0.675021 0.481035 0.639476} N1 5705 -1 14 {} Si 0.0 {0.657045 0.527325 0.597394} Si4 5706 -1 14 {} Si 0.0 {0.669848 0.496188 0.637594} Si5 5707 -1 7 {} N 0.0 {0.836021 0.609279 0.978747} N2 5708 -1 7 {} N 0.0 {0.662405 0.545608 0.596559} N3 5709 -1 7 {} N 0.0 {0.645838 0.5269 0.612618} N4 5710 -1 7 {} N 0.0 {0.678086 0.504255 0.620666} N5 5711 -1 7 {} N 0.0 {0.653021 0.501096 0.646258} N6 5712 -1 7 {} N 0.0 {0.682337 0.505641 0.6498} N7 5713 -1 8 {} O 0.0 {0.628629 0.474099 0.61618} O3 5714 -1 6 {} C 0.0 {0.652619 0.492225 0.62013} C1 5715 -1 8 {} O 0.0 {0.670649 0.404504 0.612064} O4 5716 -1 7 {} N 0.0 {0.68402 0.455093 0.634594} N8 5717 -1 8 {} O 0.0 {0.678746 0.46455 0.662334} O5 5718 -1 1 {} H 0.0 {0.634417 0.450321 0.653162} H1 5719 -1 1 {} H 0.0 {0.677409 0.564571 0.667663} H2 5720 -1 1 {} H 0.0 {0.829438 0.606065 0.986381} H3 5721 -1 1 {} H 0.0 {0.836997 0.60091 0.971384} H4 5722 -1 1 {} H 0.0 {0.657035 0.550424 0.603639} H5 5723 -1 1 {} H 0.0 {0.658473 0.548754 0.587536} H6 5724 -1 1 {} H 0.0 {0.642119 0.535912 0.613924} H7 5725 -1 1 {} H 0.0 {0.638926 0.520988 0.609053} H8 5726 -1 1 {} H 0.0 {0.686328 0.49762 0.62031} H9 5727 -1 1 {} H 0.0 {0.681115 0.512888 0.625224} H10 5728 -1 1 {} H 0.0 {0.657217 0.504552 0.654776} H11 5729 -1 1 {} H 0.0 {0.649783 0.509155 0.641009} H12 5730 -1 1 {} H 0.0 {0.688955 0.498249 0.652037} H13 5731 -1 1 {} H 0.0 {0.677376 0.506445 0.658849} H14 5732 -1 1 {} H 0.0 {0.627494 0.46446 0.613336} H15 5733 -1 1 {} H 0.0 {0.646219 0.500662 0.62061} H16 5734 -1 1 {} H 0.0 {0.658655 0.492594 0.611162} H17 5735 -1 1 {} H 0.0 {0.6552 0.468179 0.609909} H18 5736 -1 1 {} H 0.0 {0.667957 0.409581 0.619915} H19 5737 -1 1 {} H 0.0 {0.69301 0.453611 0.639455} H20 5738 -1 1 {} H 0.0 {0.681195 0.446151 0.631879} H21 5739 -1 1 {} H 0.0 {0.672123 0.458776 0.666954} H22 5740 -1 14 {} Si 0.0 {0.293363 0.641314 0.365301} Si1 5741 -1 8 {} O 0.0 {0.294338 0.652398 0.354268} O1 5742 -1 14 {} Si 0.0 {0.30854 0.655876 0.349563} Si2 5743 -1 8 {} O 0.0 {0.663853 0.600317 0.357939} O2 5744 -1 14 {} Si 0.0 {0.65087 0.591753 0.361623} Si3 5745 -1 7 {} N 0.0 {0.64265 0.579399 0.348204} N1 5746 -1 14 {} Si 0.0 {0.628376 0.581126 0.34087} Si4 5747 -1 14 {} Si 0.0 {0.655861 0.569943 0.344931} Si5 5748 -1 7 {} N 0.0 {0.624315 0.565626 0.328405} N2 5749 -1 7 {} N 0.0 {0.626187 0.59856 0.334108} N3 5750 -1 7 {} N 0.0 {0.61569 0.580098 0.353245} N4 5751 -1 7 {} N 0.0 {0.672655 0.572863 0.35443} N5 5752 -1 7 {} N 0.0 {0.649494 0.553327 0.353815} N6 5753 -1 7 {} N 0.0 {0.658812 0.566543 0.325855} N7 5754 -1 8 {} O 0.0 {0.653482 0.602973 0.326768} O3 5755 -1 6 {} C 0.0 {0.28581 0.644642 0.382653} C1 5756 -1 8 {} O 0.0 {0.675191 0.643472 0.364245} O4 5757 -1 7 {} N 0.0 {0.637279 0.604203 0.365716} N8 5758 -1 8 {} O 0.0 {0.657211 0.583238 0.37617} O5 5759 -1 1 {} H 0.0 {0.665903 0.607394 0.364891} H1 5760 -1 1 {} H 0.0 {0.315264 0.668223 0.358527} H2 5761 -1 1 {} H 0.0 {0.628202 0.558437 0.334056} H3 5762 -1 1 {} H 0.0 {0.632434 0.567766 0.322279} H4 5763 -1 1 {} H 0.0 {0.616541 0.598435 0.330681} H5 5764 -1 1 {} H 0.0 {0.632244 0.59935 0.326188} H6 5765 -1 1 {} H 0.0 {0.606714 0.574649 0.354002} H7 5766 -1 1 {} H 0.0 {0.619532 0.582228 0.362836} H8 5767 -1 1 {} H 0.0 {0.679974 0.567504 0.350298} H9 5768 -1 1 {} H 0.0 {0.673536 0.582721 0.352096} H10 5769 -1 1 {} H 0.0 {0.646459 0.548287 0.345406} H11 5770 -1 1 {} H 0.0 {0.640467 0.557607 0.356756} H12 5771 -1 1 {} H 0.0 {0.659173 0.557393 0.3228} H13 5772 -1 1 {} H 0.0 {0.668165 0.570625 0.324704} H14 5773 -1 1 {} H 0.0 {0.656192 0.60861 0.333844} H15 5774 -1 1 {} H 0.0 {0.277523 0.650442 0.379979} H16 5775 -1 1 {} H 0.0 {0.293162 0.650612 0.386871} H17 5776 -1 1 {} H 0.0 {0.284896 0.635394 0.387342} H18 5777 -1 1 {} H 0.0 {0.509811 0.667273 0.315147} H19 5778 -1 1 {} H 0.0 {0.639956 0.612916 0.360887} H20 5779 -1 1 {} H 0.0 {0.629026 0.602004 0.35987} H21 5780 -1 1 {} H 0.0 {0.663896 0.577382 0.372868} H22 5781 -1 14 {} Si 0.0 {0.365319 0.53204 0.633652} Si1 5782 -1 8 {} O 0.0 {0.356471 0.544596 0.63048} O1 5783 -1 14 {} Si 0.0 {0.148564 0.066932 0.605105} Si2 5784 -1 8 {} O 0.0 {0.457215 0.407269 0.683049} O2 5785 -1 14 {} Si 0.0 {0.42353 0.404011 0.315233} Si3 5786 -1 7 {} N 0.0 {0.415344 0.391356 0.311636} N1 5787 -1 14 {} Si 0.0 {0.470652 0.39994 0.685649} Si4 5788 -1 14 {} Si 0.0 {0.458614 0.38353 0.699074} Si5 5789 -1 7 {} N 0.0 {0.480882 0.389732 0.677698} N2 5790 -1 7 {} N 0.0 {0.479811 0.406448 0.701887} N3 5791 -1 7 {} N 0.0 {0.583919 0.245639 0.0605028} N4 5792 -1 7 {} N 0.0 {0.470295 0.370977 0.706952} N5 5793 -1 7 {} N 0.0 {0.452749 0.379494 0.318221} N6 5794 -1 7 {} N 0.0 {0.442864 0.405744 0.656431} N7 5795 -1 8 {} O 0.0 {0.396998 0.408776 0.64301} O3 5796 -1 6 {} C 0.0 {0.541421 0.487953 0.314763} C1 5797 -1 8 {} O 0.0 {0.104009 0.0110582 0.708036} O4 5798 -1 7 {} N 0.0 {0.404609 0.387457 0.32156} N8 5799 -1 8 {} O 0.0 {0.436986 0.408262 0.30845} O5 5800 -1 1 {} H 0.0 {0.151746 0.0520774 0.606962} H1 5801 -1 1 {} H 0.0 {0.346741 0.522544 0.639071} H2 5802 -1 1 {} H 0.0 {0.488096 0.383805 0.68178} H3 5803 -1 1 {} H 0.0 {0.48571 0.396305 0.671217} H4 5804 -1 1 {} H 0.0 {0.471897 0.412175 0.704396} H5 5805 -1 1 {} H 0.0 {0.479456 0.397949 0.707026} H6 5806 -1 1 {} H 0.0 {0.589779 0.250768 0.0536696} H7 5807 -1 1 {} H 0.0 {0.574575 0.243745 0.0549191} H8 5808 -1 1 {} H 0.0 {0.476971 0.369071 0.699704} H9 5809 -1 1 {} H 0.0 {0.464182 0.36294 0.707002} H10 5810 -1 1 {} H 0.0 {0.445973 0.38393 0.324705} H11 5811 -1 1 {} H 0.0 {0.459335 0.386864 0.316256} H12 5812 -1 1 {} H 0.0 {0.452071 0.40717 0.653646} H13 5813 -1 1 {} H 0.0 {0.437673 0.414361 0.654202} H14 5814 -1 1 {} H 0.0 {0.597215 0.707136 0.492581} H15 5815 -1 1 {} H 0.0 {0.531534 0.487849 0.318835} H16 5816 -1 1 {} H 0.0 {0.547509 0.496796 0.315369} H17 5817 -1 1 {} H 0.0 {0.379129 0.388573 0.625557} H18 5818 -1 1 {} H 0.0 {0.101354 0.00231885 0.706052} H19 5819 -1 1 {} H 0.0 {0.408703 0.386267 0.330775} H20 5820 -1 1 {} H 0.0 {0.401314 0.377583 0.318764} H21 5821 -1 1 {} H 0.0 {0.443748 0.409529 0.315795} H22 5822 -1 14 {} Si 0.0 {0.608377 0.504169 0.303744} Si1 5823 -1 8 {} O 0.0 {0.623872 0.500103 0.300032} O1 5824 -1 14 {} Si 0.0 {0.639147 0.50065 0.297709} Si2 5825 -1 8 {} O 0.0 {0.644474 0.510312 0.30867} O2 5826 -1 14 {} Si 0.0 {0.645912 0.524262 0.315918} Si3 5827 -1 7 {} N 0.0 {0.655824 0.535615 0.310047} N1 5828 -1 14 {} Si 0.0 {0.650591 0.542168 0.296048} Si4 5829 -1 14 {} Si 0.0 {0.674683 0.539274 0.315299} Si5 5830 -1 7 {} N 0.0 {0.633056 0.536105 0.290078} N2 5831 -1 7 {} N 0.0 {0.661504 0.537614 0.281302} N3 5832 -1 7 {} N 0.0 {0.646545 0.560728 0.297708} N4 5833 -1 7 {} N 0.0 {0.674308 0.541022 0.331419} N5 5834 -1 7 {} N 0.0 {0.685767 0.523634 0.310708} N6 5835 -1 7 {} N 0.0 {0.68154 0.555369 0.305912} N7 5836 -1 8 {} O 0.0 {0.603724 0.489033 0.305981} O3 5837 -1 6 {} C 0.0 {0.59899 0.516111 0.291581} C1 5838 -1 8 {} O 0.0 {0.61061 0.507227 0.319513} O4 5839 -1 7 {} N 0.0 {0.699314 0.543384 0.354821} N8 5840 -1 8 {} O 0.0 {0.630408 0.527904 0.316687} O5 5841 -1 1 {} H 0.0 {0.640291 0.516149 0.283356} H1 5842 -1 1 {} H 0.0 {0.647091 0.486169 0.298622} H2 5843 -1 1 {} H 0.0 {0.630655 0.544441 0.284771} H3 5844 -1 1 {} H 0.0 {0.627499 0.536591 0.298846} H4 5845 -1 1 {} H 0.0 {0.670781 0.539392 0.285008} H5 5846 -1 1 {} H 0.0 {0.661312 0.527931 0.27939} H6 5847 -1 1 {} H 0.0 {0.647529 0.561448 0.307659} H7 5848 -1 1 {} H 0.0 {0.637329 0.562283 0.293711} H8 5849 -1 1 {} H 0.0 {0.66824 0.548369 0.333999} H9 5850 -1 1 {} H 0.0 {0.408947 0.42295 0.280549} H10 5851 -1 1 {} H 0.0 {0.686195 0.519032 0.320035} H11 5852 -1 1 {} H 0.0 {0.694826 0.527468 0.308476} H12 5853 -1 1 {} H 0.0 {0.673597 0.558114 0.300392} H13 5854 -1 1 {} H 0.0 {0.681867 0.5619 0.313277} H14 5855 -1 1 {} H 0.0 {0.607193 0.484593 0.313383} H15 5856 -1 1 {} H 0.0 {0.60261 0.5165 0.281663} H16 5857 -1 1 {} H 0.0 {0.60034 0.526009 0.295803} H17 5858 -1 1 {} H 0.0 {0.589855 0.511238 0.292223} H18 5859 -1 1 {} H 0.0 {0.612995 0.498957 0.324896} H19 5860 -1 1 {} H 0.0 {0.703433 0.552479 0.354355} H20 5861 -1 1 {} H 0.0 {0.690697 0.543892 0.361297} H21 5862 -1 1 {} H 0.0 {0.624899 0.519855 0.317072} H22 5863 -1 14 {} Si 0.0 {0.359876 0.444097 0.438079} Si1 5864 -1 8 {} O 0.0 {0.341687 0.4195 0.411154} O1 5865 -1 14 {} Si 0.0 {0.339364 0.418112 0.395153} Si2 5866 -1 8 {} O 0.0 {0.327711 0.408444 0.389904} O2 5867 -1 14 {} Si 0.0 {0.318085 0.396964 0.393576} Si3 5868 -1 7 {} N 0.0 {0.310464 0.388004 0.381524} N1 5869 -1 14 {} Si 0.0 {0.295479 0.387763 0.375132} Si4 5870 -1 14 {} Si 0.0 {0.3233 0.380394 0.374221} Si5 5871 -1 7 {} N 0.0 {0.295179 0.376909 0.35933} N2 5872 -1 7 {} N 0.0 {0.291411 0.405389 0.369352} N3 5873 -1 7 {} N 0.0 {0.282726 0.382122 0.387807} N4 5874 -1 7 {} N 0.0 {0.327612 0.386934 0.356668} N5 5875 -1 7 {} N 0.0 {0.340068 0.381573 0.387229} N6 5876 -1 7 {} N 0.0 {0.319696 0.361666 0.369985} N7 5877 -1 8 {} O 0.0 {0.353634 0.458332 0.435395} O3 5878 -1 6 {} C 0.0 {0.372645 0.444823 0.450232} C1 5879 -1 8 {} O 0.0 {0.360696 0.440516 0.422505} O4 5880 -1 7 {} N 0.0 {0.311087 0.390922 0.408649} N8 5881 -1 8 {} O 0.0 {0.320078 0.467542 0.475158} O5 5882 -1 1 {} H 0.0 {0.35148 0.414252 0.388447} H1 5883 -1 1 {} H 0.0 {0.332316 0.433286 0.389867} H2 5884 -1 1 {} H 0.0 {0.292446 0.367567 0.361365} H3 5885 -1 1 {} H 0.0 {0.30468 0.376118 0.356337} H4 5886 -1 1 {} H 0.0 {0.282468 0.406696 0.37365} H5 5887 -1 1 {} H 0.0 {0.289192 0.403883 0.359486} H6 5888 -1 1 {} H 0.0 {0.280591 0.391043 0.391754} H7 5889 -1 1 {} H 0.0 {0.28818 0.376538 0.394519} H8 5890 -1 1 {} H 0.0 {0.335958 0.381424 0.354914} H9 5891 -1 1 {} H 0.0 {0.330596 0.396715 0.359184} H10 5892 -1 1 {} H 0.0 {0.33662 0.374592 0.393778} H11 5893 -1 1 {} H 0.0 {0.346334 0.374623 0.382356} H12 5894 -1 1 {} H 0.0 {0.319329 0.360508 0.360102} H13 5895 -1 1 {} H 0.0 {0.328281 0.356671 0.372962} H14 5896 -1 1 {} H 0.0 {0.361067 0.465206 0.435602} H15 5897 -1 1 {} H 0.0 {0.394079 0.46334 0.424559} H16 5898 -1 1 {} H 0.0 {0.348731 0.4256 0.41306} H17 5899 -1 1 {} H 0.0 {0.368609 0.445392 0.459317} H18 5900 -1 1 {} H 0.0 {0.369953 0.440344 0.420122} H19 5901 -1 1 {} H 0.0 {0.314209 0.391525 0.418284} H20 5902 -1 1 {} H 0.0 {0.307071 0.381353 0.407333} H21 5903 -1 1 {} H 0.0 {0.328053 0.467705 0.480773} H22 5904 -1 14 {} Si 0.0 {0.698639 0.484057 0.605409} Si1 5905 -1 8 {} O 0.0 {0.698776 0.468424 0.583447} O1 5906 -1 14 {} Si 0.0 {0.686589 0.478803 0.583859} Si2 5907 -1 8 {} O 0.0 {0.704862 0.472943 0.55805} O2 5908 -1 14 {} Si 0.0 {0.692027 0.482342 0.558892} Si3 5909 -1 7 {} N 0.0 {0.691477 0.496798 0.552577} N1 5910 -1 14 {} Si 0.0 {0.733292 0.55393 0.579699} Si4 5911 -1 14 {} Si 0.0 {0.693777 0.492131 0.523997} Si5 5912 -1 7 {} N 0.0 {0.750463 0.545601 0.585214} N2 5913 -1 7 {} N 0.0 {0.736342 0.569315 0.576936} N3 5914 -1 7 {} N 0.0 {0.678503 0.602098 0.691973} N4 5915 -1 7 {} N 0.0 {0.698146 0.500915 0.540185} N5 5916 -1 7 {} N 0.0 {0.650707 0.487496 0.505723} N6 5917 -1 7 {} N 0.0 {0.679354 0.531905 0.509791} N7 5918 -1 8 {} O 0.0 {0.711648 0.474876 0.602153} O3 5919 -1 6 {} C 0.0 {0.572531 0.453389 0.614545} C1 5920 -1 8 {} O 0.0 {0.651017 0.476193 0.298501} O4 5921 -1 7 {} N 0.0 {0.957663 0.318749 0.908036} N8 5922 -1 8 {} O 0.0 {0.674796 0.47092 0.551841} O5 5923 -1 1 {} H 0.0 {0.707251 0.469231 0.56715} H1 5924 -1 1 {} H 0.0 {0.675469 0.472008 0.589049} H2 5925 -1 1 {} H 0.0 {0.75427 0.543124 0.576414} H3 5926 -1 1 {} H 0.0 {0.754773 0.55452 0.588216} H4 5927 -1 1 {} H 0.0 {0.739973 0.576947 0.571438} H5 5928 -1 1 {} H 0.0 {0.731544 0.643181 0.0992224} H6 5929 -1 1 {} H 0.0 {0.73473 0.492724 0.608352} H7 5930 -1 1 {} H 0.0 {0.675625 0.593354 0.696847} H8 5931 -1 1 {} H 0.0 {0.67572 0.417496 0.554874} H9 5932 -1 1 {} H 0.0 {0.694272 0.510432 0.537621} H10 5933 -1 1 {} H 0.0 {0.643901 0.492086 0.511375} H11 5934 -1 1 {} H 0.0 {0.650039 0.47753 0.508044} H12 5935 -1 1 {} H 0.0 {0.679099 0.537762 0.518669} H13 5936 -1 1 {} H 0.0 {0.67985 0.522132 0.512079} H14 5937 -1 1 {} H 0.0 {0.503528 0.409381 0.642963} H15 5938 -1 1 {} H 0.0 {0.582076 0.456326 0.613801} H16 5939 -1 1 {} H 0.0 {0.568037 0.452083 0.624437} H17 5940 -1 1 {} H 0.0 {0.565683 0.460342 0.60932} H18 5941 -1 1 {} H 0.0 {0.659684 0.651547 0.305683} H19 5942 -1 1 {} H 0.0 {0.961533 0.323451 0.916642} H20 5943 -1 1 {} H 0.0 {0.961177 0.308991 0.90864} H21 5944 -1 1 {} H 0.0 {0.677657 0.467525 0.543409} H22 5945 -1 14 {} Si 0.0 {0.604757 0.482011 0.552216} Si1 5946 -1 8 {} O 0.0 {0.592801 0.483828 0.542141} O1 5947 -1 14 {} Si 0.0 {0.588372 0.486607 0.527826} Si2 5948 -1 8 {} O 0.0 {0.591716 0.472813 0.521011} O2 5949 -1 14 {} Si 0.0 {0.590185 0.457557 0.520723} Si3 5950 -1 7 {} N 0.0 {0.603793 0.447868 0.509931} N1 5951 -1 14 {} Si 0.0 {0.601328 0.433874 0.501963} Si4 5952 -1 14 {} Si 0.0 {0.619062 0.452414 0.512961} Si5 5953 -1 7 {} N 0.0 {0.592282 0.436208 0.484615} N2 5954 -1 7 {} N 0.0 {0.589463 0.422828 0.513157} N3 5955 -1 7 {} N 0.0 {0.616954 0.424082 0.496095} N4 5956 -1 7 {} N 0.0 {0.628798 0.456395 0.496164} N5 5957 -1 7 {} N 0.0 {0.622027 0.469072 0.523131} N6 5958 -1 7 {} N 0.0 {0.629388 0.439515 0.523283} N7 5959 -1 8 {} O 0.0 {0.558345 0.490436 0.528871} O3 5960 -1 6 {} C 0.0 {0.610177 0.492974 0.563133} C1 5961 -1 8 {} O 0.0 {0.609306 0.466637 0.549606} O4 5962 -1 7 {} N 0.0 {0.573437 0.449596 0.514655} N8 5963 -1 8 {} O 0.0 {0.591006 0.453847 0.53591} O5 5964 -1 1 {} H 0.0 {0.625714 0.510821 0.485229} H1 5965 -1 1 {} H 0.0 {0.572271 0.489608 0.527425} H2 5966 -1 1 {} H 0.0 {0.595913 0.429749 0.477657} H3 5967 -1 1 {} H 0.0 {0.582487 0.434028 0.485491} H4 5968 -1 1 {} H 0.0 {0.593591 0.413451 0.512553} H5 5969 -1 1 {} H 0.0 {0.591381 0.425653 0.522844} H6 5970 -1 1 {} H 0.0 {0.622844 0.422563 0.504218} H7 5971 -1 1 {} H 0.0 {0.622108 0.431208 0.4909} H8 5972 -1 1 {} H 0.0 {0.621379 0.459463 0.490196} H9 5973 -1 1 {} H 0.0 {0.630411 0.446761 0.493524} H10 5974 -1 1 {} H 0.0 {0.612285 0.472961 0.521714} H11 5975 -1 1 {} H 0.0 {0.627261 0.474546 0.515999} H12 5976 -1 1 {} H 0.0 {0.631174 0.445024 0.531754} H13 5977 -1 1 {} H 0.0 {0.622139 0.433036 0.525615} H14 5978 -1 1 {} H 0.0 {0.556622 0.498182 0.5226} H15 5979 -1 1 {} H 0.0 {0.611021 0.489636 0.573177} H16 5980 -1 1 {} H 0.0 {0.61177 0.502825 0.560768} H17 5981 -1 1 {} H 0.0 {0.612908 0.580858 0.503392} H18 5982 -1 1 {} H 0.0 {0.61584 0.465671 0.542188} H19 5983 -1 1 {} H 0.0 {0.576276 0.440637 0.510292} H20 5984 -1 1 {} H 0.0 {0.569405 0.446102 0.523259} H21 5985 -1 1 {} H 0.0 {0.595256 0.460813 0.541212} H22 5986 -1 14 {} Si 0.0 {0.454278 0.445763 0.564498} Si1 5987 -1 8 {} O 0.0 {0.556607 0.427379 0.607971} O1 5988 -1 14 {} Si 0.0 {0.542279 0.423453 0.603372} Si2 5989 -1 8 {} O 0.0 {0.54314 0.408866 0.59767} O2 5990 -1 14 {} Si 0.0 {0.548712 0.427148 0.580226} Si3 5991 -1 7 {} N 0.0 {0.565921 0.435905 0.5774} N1 5992 -1 14 {} Si 0.0 {0.576271 0.434712 0.565023} Si4 5993 -1 14 {} Si 0.0 {0.570218 0.436055 0.605485} Si5 5994 -1 7 {} N 0.0 {0.567601 0.438486 0.546679} N2 5995 -1 7 {} N 0.0 {0.591041 0.446275 0.565132} N3 5996 -1 7 {} N 0.0 {0.562057 0.426054 0.538104} N4 5997 -1 7 {} N 0.0 {0.521411 0.371731 0.59002} N5 5998 -1 7 {} N 0.0 {0.586027 0.424417 0.60691} N6 5999 -1 7 {} N 0.0 {0.526689 0.370115 0.575588} N7 6000 -1 8 {} O 0.0 {0.520977 0.474011 0.49091} O3 6001 -1 6 {} C 0.0 {0.438911 0.452589 0.607627} C1 6002 -1 8 {} O 0.0 {0.45277 0.442344 0.549227} O4 6003 -1 7 {} N 0.0 {0.557212 0.351391 0.57348} N8 6004 -1 8 {} O 0.0 {0.537618 0.431879 0.59077} O5 6005 -1 1 {} H 0.0 {0.461961 0.798765 0.236422} H1 6006 -1 1 {} H 0.0 {0.322387 0.293984 0.604819} H2 6007 -1 1 {} H 0.0 {0.560144 0.44596 0.548678} H3 6008 -1 1 {} H 0.0 {0.575235 0.444589 0.54113} H4 6009 -1 1 {} H 0.0 {0.585723 0.454652 0.567214} H5 6010 -1 1 {} H 0.0 {0.592516 0.445823 0.555468} H6 6011 -1 1 {} H 0.0 {0.568741 0.418569 0.536371} H7 6012 -1 1 {} H 0.0 {0.558366 0.428044 0.528758} H8 6013 -1 1 {} H 0.0 {0.512423 0.376519 0.590474} H9 6014 -1 1 {} H 0.0 {0.521042 0.363018 0.595158} H10 6015 -1 1 {} H 0.0 {0.590678 0.428556 0.61455} H11 6016 -1 1 {} H 0.0 {0.582901 0.415505 0.610242} H12 6017 -1 1 {} H 0.0 {0.519265 0.364191 0.570301} H13 6018 -1 1 {} H 0.0 {0.535804 0.365177 0.573987} H14 6019 -1 1 {} H 0.0 {0.515069 0.473641 0.48254} H15 6020 -1 1 {} H 0.0 {0.436789 0.42902 0.611782} H16 6021 -1 1 {} H 0.0 {0.442459 0.461724 0.602795} H17 6022 -1 1 {} H 0.0 {0.466229 0.434617 0.579189} H18 6023 -1 1 {} H 0.0 {0.487694 0.444257 0.565198} H19 6024 -1 1 {} H 0.0 {0.565468 0.346063 0.572139} H20 6025 -1 1 {} H 0.0 {0.54931 0.344999 0.571679} H21 6026 -1 1 {} H 0.0 {0.581431 0.445191 0.588452} H22 6027 -1 14 {} Si 0.0 {0.605745 0.389799 0.594892} Si1 6028 -1 8 {} O 0.0 {0.667273 0.41778 0.57741} O1 6029 -1 14 {} Si 0.0 {0.67247 0.404279 0.571451} Si2 6030 -1 8 {} O 0.0 {0.660936 0.396759 0.564604} O2 6031 -1 14 {} Si 0.0 {0.649407 0.386461 0.566347} Si3 6032 -1 7 {} N 0.0 {0.652766 0.371589 0.578976} N1 6033 -1 14 {} Si 0.0 {0.644018 0.359099 0.582283} Si4 6034 -1 14 {} Si 0.0 {0.666159 0.372857 0.588518} Si5 6035 -1 7 {} N 0.0 {0.634038 0.357144 0.59588} N2 6036 -1 7 {} N 0.0 {0.636208 0.344931 0.605954} N3 6037 -1 7 {} N 0.0 {0.640777 0.349179 0.564449} N4 6038 -1 7 {} N 0.0 {0.676701 0.390692 0.585815} N5 6039 -1 7 {} N 0.0 {0.662181 0.376131 0.607709} N6 6040 -1 7 {} N 0.0 {0.679075 0.359141 0.584141} N7 6041 -1 8 {} O 0.0 {0.621834 0.388356 0.597251} O3 6042 -1 6 {} C 0.0 {0.597556 0.377802 0.582968} C1 6043 -1 8 {} O 0.0 {0.608016 0.40901 0.591434} O4 6044 -1 7 {} N 0.0 {0.643636 0.379076 0.548811} N8 6045 -1 8 {} O 0.0 {0.638904 0.396377 0.571179} O5 6046 -1 1 {} H 0.0 {0.591144 0.369234 0.587028} H1 6047 -1 1 {} H 0.0 {0.658258 0.419138 0.574992} H2 6048 -1 1 {} H 0.0 {0.627644 0.364333 0.598343} H3 6049 -1 1 {} H 0.0 {0.622245 0.321194 0.5856} H4 6050 -1 1 {} H 0.0 {0.645892 0.345621 0.609934} H5 6051 -1 1 {} H 0.0 {0.631033 0.345889 0.615026} H6 6052 -1 1 {} H 0.0 {0.650217 0.348628 0.561084} H7 6053 -1 1 {} H 0.0 {0.636878 0.357447 0.55997} H8 6054 -1 1 {} H 0.0 {0.686553 0.387008 0.586848} H9 6055 -1 1 {} H 0.0 {0.673741 0.394199 0.595356} H10 6056 -1 1 {} H 0.0 {0.666748 0.368685 0.612272} H11 6057 -1 1 {} H 0.0 {0.652343 0.37294 0.607645} H12 6058 -1 1 {} H 0.0 {0.687757 0.36313 0.587058} H13 6059 -1 1 {} H 0.0 {0.679459 0.358426 0.574159} H14 6060 -1 1 {} H 0.0 {0.626427 0.394417 0.589725} H15 6061 -1 1 {} H 0.0 {0.556165 0.358702 0.566112} H16 6062 -1 1 {} H 0.0 {0.590883 0.384705 0.577407} H17 6063 -1 1 {} H 0.0 {0.604915 0.373268 0.576419} H18 6064 -1 1 {} H 0.0 {0.601972 0.413235 0.597523} H19 6065 -1 1 {} H 0.0 {0.634759 0.384452 0.54709} H20 6066 -1 1 {} H 0.0 {0.649839 0.383689 0.54203} H21 6067 -1 1 {} H 0.0 {0.631818 0.39724 0.564207} H22 6068 -1 14 {} Si 0.0 {0.504811 0.527389 0.663532} Si1 6069 -1 8 {} O 0.0 {0.509482 0.51471 0.671564} O1 6070 -1 14 {} Si 0.0 {0.50884 0.500436 0.676443} Si2 6071 -1 8 {} O 0.0 {0.520056 0.492348 0.669411} O2 6072 -1 14 {} Si 0.0 {0.532894 0.492589 0.659561} Si3 6073 -1 7 {} N 0.0 {0.546024 0.501442 0.660456} N1 6074 -1 14 {} Si 0.0 {0.583359 0.558698 0.304884} Si4 6075 -1 14 {} Si 0.0 {0.558991 0.511219 0.660446} Si5 6076 -1 7 {} N 0.0 {0.616411 0.284016 0.33675} N2 6077 -1 7 {} N 0.0 {0.594905 0.571373 0.311789} N3 6078 -1 7 {} N 0.0 {0.506808 0.545743 0.690208} N4 6079 -1 7 {} N 0.0 {0.554569 0.52725 0.670862} N5 6080 -1 7 {} N 0.0 {0.573355 0.502451 0.66673} N6 6081 -1 7 {} N 0.0 {0.563241 0.516578 0.64439} N7 6082 -1 8 {} O 0.0 {0.492823 0.530257 0.674081} O3 6083 -1 6 {} C 0.0 {0.504014 0.527861 0.645037} C1 6084 -1 8 {} O 0.0 {0.515678 0.54113 0.6747} O4 6085 -1 7 {} N 0.0 {0.532986 0.468 0.611026} N8 6086 -1 8 {} O 0.0 {0.526674 0.488013 0.646027} O5 6087 -1 1 {} H 0.0 {0.493986 0.494285 0.670773} H1 6088 -1 1 {} H 0.0 {0.509062 0.499369 0.69011} H2 6089 -1 1 {} H 0.0 {0.624734 0.278281 0.333863} H3 6090 -1 1 {} H 0.0 {0.613956 0.28061 0.346295} H4 6091 -1 1 {} H 0.0 {0.600472 0.566488 0.318838} H5 6092 -1 1 {} H 0.0 {0.590119 0.578553 0.316868} H6 6093 -1 1 {} H 0.0 {0.57426 0.561871 0.324253} H7 6094 -1 1 {} H 0.0 {0.590429 0.496234 0.255704} H8 6095 -1 1 {} H 0.0 {0.548009 0.531723 0.664197} H9 6096 -1 1 {} H 0.0 {0.563989 0.530968 0.670412} H10 6097 -1 1 {} H 0.0 {0.568513 0.495765 0.673495} H11 6098 -1 1 {} H 0.0 {0.57729 0.509867 0.672062} H12 6099 -1 1 {} H 0.0 {0.559529 0.525992 0.644125} H13 6100 -1 1 {} H 0.0 {0.557019 0.511656 0.638052} H14 6101 -1 1 {} H 0.0 {0.496194 0.533612 0.683096} H15 6102 -1 1 {} H 0.0 {0.497537 0.519317 0.641673} H16 6103 -1 1 {} H 0.0 {0.513199 0.52773 0.640516} H17 6104 -1 1 {} H 0.0 {0.499212 0.537259 0.641475} H18 6105 -1 1 {} H 0.0 {0.516155 0.549279 0.669176} H19 6106 -1 1 {} H 0.0 {0.538114 0.469269 0.619978} H20 6107 -1 1 {} H 0.0 {0.528382 0.477384 0.609744} H21 6108 -1 1 {} H 0.0 {0.618963 0.293683 0.338248} H22 6109 -1 14 {} Si 0.0 {0.606438 0.340212 0.433249} Si1 6110 -1 8 {} O 0.0 {0.608292 0.334755 0.417723} O1 6111 -1 14 {} Si 0.0 {0.613194 0.337339 0.402773} Si2 6112 -1 8 {} O 0.0 {0.622771 0.3068 0.39085} O2 6113 -1 14 {} Si 0.0 {0.633581 0.31705 0.39686} Si3 6114 -1 7 {} N 0.0 {0.579296 0.68503 0.42838} N1 6115 -1 14 {} Si 0.0 {0.568902 0.681492 0.416571} Si4 6116 -1 14 {} Si 0.0 {0.589245 0.694972 0.43648} Si5 6117 -1 7 {} N 0.0 {0.465262 0.280832 0.420714} N2 6118 -1 7 {} N 0.0 {0.576332 0.684198 0.402602} N3 6119 -1 7 {} N 0.0 {0.552293 0.692098 0.416788} N4 6120 -1 7 {} N 0.0 {0.603717 0.697661 0.424209} N5 6121 -1 7 {} N 0.0 {0.669348 0.606019 0.438568} N6 6122 -1 7 {} N 0.0 {0.644664 0.679918 0.427091} N7 6123 -1 8 {} O 0.0 {0.627832 0.339536 0.437375} O3 6124 -1 6 {} C 0.0 {0.593975 0.332817 0.443249} C1 6125 -1 8 {} O 0.0 {0.606632 0.356181 0.429101} O4 6126 -1 7 {} N 0.0 {0.646552 0.317909 0.407983} N8 6127 -1 8 {} O 0.0 {0.779859 0.99459 0.365137} O5 6128 -1 1 {} H 0.0 {0.624749 0.326728 0.399803} H1 6129 -1 1 {} H 0.0 {0.614784 0.32898 0.368382} H2 6130 -1 1 {} H 0.0 {0.458056 0.274121 0.422875} H3 6131 -1 1 {} H 0.0 {0.473093 0.276514 0.416415} H4 6132 -1 1 {} H 0.0 {0.58581 0.68741 0.40356} H5 6133 -1 1 {} H 0.0 {0.654762 0.276887 0.499585} H6 6134 -1 1 {} H 0.0 {0.548294 0.687116 0.409243} H7 6135 -1 1 {} H 0.0 {0.554956 0.701099 0.413492} H8 6136 -1 1 {} H 0.0 {0.599738 0.691914 0.416779} H9 6137 -1 1 {} H 0.0 {0.602491 0.707166 0.421607} H10 6138 -1 1 {} H 0.0 {0.678442 0.603179 0.434528} H11 6139 -1 1 {} H 0.0 {0.667656 0.598453 0.445029} H12 6140 -1 1 {} H 0.0 {0.712728 0.621704 0.535091} H13 6141 -1 1 {} H 0.0 {0.638414 0.679541 0.434883} H14 6142 -1 1 {} H 0.0 {0.634961 0.335648 0.429161} H15 6143 -1 1 {} H 0.0 {0.586839 0.340059 0.445584} H16 6144 -1 1 {} H 0.0 {0.597706 0.326757 0.451066} H17 6145 -1 1 {} H 0.0 {0.586477 0.321728 0.432846} H18 6146 -1 1 {} H 0.0 {0.600714 0.360384 0.43589} H19 6147 -1 1 {} H 0.0 {0.528349 0.29749 0.610869} H20 6148 -1 1 {} H 0.0 {0.651714 0.309096 0.40716} H21 6149 -1 1 {} H 0.0 {0.776542 0.998094 0.375458} H22 6150 -1 14 {} Si 0.0 {0.383008 0.655571 0.309737} Si1 6151 -1 8 {} O 0.0 {0.396788 0.648118 0.313489} O1 6152 -1 14 {} Si 0.0 {0.407839 0.64481 0.324671} Si2 6153 -1 8 {} O 0.0 {0.421657 0.651997 0.321854} O2 6154 -1 14 {} Si 0.0 {0.437255 0.654149 0.32017} Si3 6155 -1 7 {} N 0.0 {0.445967 0.659051 0.333435} N1 6156 -1 14 {} Si 0.0 {0.445105 0.645726 0.34384} Si4 6157 -1 14 {} Si 0.0 {0.456107 0.675854 0.33516} Si5 6158 -1 7 {} N 0.0 {0.427874 0.64821 0.35229} N2 6159 -1 7 {} N 0.0 {0.459348 0.649423 0.356055} N3 6160 -1 7 {} N 0.0 {0.449108 0.629321 0.337396} N4 6161 -1 7 {} N 0.0 {0.455941 0.685677 0.318464} N5 6162 -1 7 {} N 0.0 {0.449443 0.684208 0.346711} N6 6163 -1 7 {} N 0.0 {0.474023 0.668895 0.338021} N7 6164 -1 8 {} O 0.0 {0.462947 0.56474 0.665009} O3 6165 -1 6 {} C 0.0 {0.36752 0.649675 0.314815} C1 6166 -1 8 {} O 0.0 {0.441486 0.677631 0.627483} O4 6167 -1 7 {} N 0.0 {0.490219 0.612259 0.274108} N8 6168 -1 8 {} O 0.0 {0.443432 0.643073 0.310978} O5 6169 -1 1 {} H 0.0 {0.40804 0.627527 0.326454} H1 6170 -1 1 {} H 0.0 {0.448027 0.679355 0.355277} H2 6171 -1 1 {} H 0.0 {0.423126 0.651832 0.344107} H3 6172 -1 1 {} H 0.0 {0.425576 0.638593 0.354073} H4 6173 -1 1 {} H 0.0 {0.467474 0.651494 0.350292} H5 6174 -1 1 {} H 0.0 {0.461173 0.64247 0.363239} H6 6175 -1 1 {} H 0.0 {0.459517 0.629215 0.337488} H7 6176 -1 1 {} H 0.0 {0.446359 0.630366 0.327664} H8 6177 -1 1 {} H 0.0 {0.445892 0.687594 0.318016} H9 6178 -1 1 {} H 0.0 {0.460033 0.693931 0.322297} H10 6179 -1 1 {} H 0.0 {0.440479 0.338922 0.369767} H11 6180 -1 1 {} H 0.0 {0.432971 0.339737 0.370862} H12 6181 -1 1 {} H 0.0 {0.478564 0.676466 0.332591} H13 6182 -1 1 {} H 0.0 {0.473165 0.661118 0.331665} H14 6183 -1 1 {} H 0.0 {0.375681 0.673439 0.339655} H15 6184 -1 1 {} H 0.0 {0.366124 0.640696 0.310326} H16 6185 -1 1 {} H 0.0 {0.366415 0.649088 0.325744} H17 6186 -1 1 {} H 0.0 {0.405648 0.648285 0.679523} H18 6187 -1 1 {} H 0.0 {0.465526 0.66356 0.587882} H19 6188 -1 1 {} H 0.0 {0.491874 0.602064 0.275005} H20 6189 -1 1 {} H 0.0 {0.491875 0.61567 0.283957} H21 6190 -1 1 {} H 0.0 {0.451828 0.646589 0.307588} H22 6191 -1 14 {} Si 0.0 {0.535504 0.382065 0.35475} Si1 6192 -1 8 {} O 0.0 {0.531184 0.380394 0.370522} O1 6193 -1 14 {} Si 0.0 {0.526285 0.376154 0.384742} Si2 6194 -1 8 {} O 0.0 {0.519015 0.386036 0.395512} O2 6195 -1 14 {} Si 0.0 {0.504571 0.417613 0.401462} Si3 6196 -1 7 {} N 0.0 {0.511014 0.421046 0.385423} N1 6197 -1 14 {} Si 0.0 {0.501982 0.417722 0.371647} Si4 6198 -1 14 {} Si 0.0 {0.523197 0.428286 0.377093} Si5 6199 -1 7 {} N 0.0 {0.515142 0.425479 0.357456} N2 6200 -1 7 {} N 0.0 {0.485437 0.427899 0.370764} N3 6201 -1 7 {} N 0.0 {0.499049 0.399288 0.367807} N4 6202 -1 7 {} N 0.0 {0.541017 0.527375 0.405162} N5 6203 -1 7 {} N 0.0 {0.525343 0.44747 0.379945} N6 6204 -1 7 {} N 0.0 {0.539978 0.418175 0.378408} N7 6205 -1 8 {} O 0.0 {0.5174 0.38626 0.347772} O3 6206 -1 6 {} C 0.0 {0.548461 0.370157 0.349307} C1 6207 -1 8 {} O 0.0 {0.540333 0.397128 0.352289} O4 6208 -1 7 {} N 0.0 {0.513015 0.432803 0.41323} N8 6209 -1 8 {} O 0.0 {0.489677 0.413942 0.405893} O5 6210 -1 1 {} H 0.0 {0.537674 0.369983 0.392266} H1 6211 -1 1 {} H 0.0 {0.516934 0.363113 0.384489} H2 6212 -1 1 {} H 0.0 {0.507392 0.426568 0.350133} H3 6213 -1 1 {} H 0.0 {0.519434 0.416069 0.355054} H4 6214 -1 1 {} H 0.0 {0.489844 0.435687 0.365756} H5 6215 -1 1 {} H 0.0 {0.480998 0.422231 0.363161} H6 6216 -1 1 {} H 0.0 {0.48971 0.3986 0.363858} H7 6217 -1 1 {} H 0.0 {0.498703 0.394587 0.377103} H8 6218 -1 1 {} H 0.0 {0.55041 0.529646 0.401725} H9 6219 -1 1 {} H 0.0 {0.535286 0.533662 0.399407} H10 6220 -1 1 {} H 0.0 {0.539407 0.517628 0.403377} H11 6221 -1 1 {} H 0.0 {0.527493 0.450804 0.370916} H12 6222 -1 1 {} H 0.0 {0.545649 0.42519 0.382788} H13 6223 -1 1 {} H 0.0 {0.537838 0.411598 0.385757} H14 6224 -1 1 {} H 0.0 {0.513748 0.393533 0.352737} H15 6225 -1 1 {} H 0.0 {0.543682 0.361342 0.34616} H16 6226 -1 1 {} H 0.0 {0.553227 0.367994 0.358684} H17 6227 -1 1 {} H 0.0 {0.555803 0.374034 0.341696} H18 6228 -1 1 {} H 0.0 {0.539922 0.401688 0.360965} H19 6229 -1 1 {} H 0.0 {0.505721 0.439574 0.415025} H20 6230 -1 1 {} H 0.0 {0.520169 0.437119 0.407097} H21 6231 -1 1 {} H 0.0 {0.482914 0.412062 0.397019} H22 6232 -1 14 {} Si 0.0 {0.643502 0.422022 0.472808} Si1 6233 -1 8 {} O 0.0 {0.651161 0.41877 0.486483} O1 6234 -1 14 {} Si 0.0 {0.658389 0.413395 0.499333} Si2 6235 -1 8 {} O 0.0 {0.656181 0.398268 0.497118} O2 6236 -1 14 {} Si 0.0 {0.654084 0.383428 0.502874} Si3 6237 -1 7 {} N 0.0 {0.649101 0.368214 0.490967} N1 6238 -1 14 {} Si 0.0 {0.658079 0.370031 0.477069} Si4 6239 -1 14 {} Si 0.0 {0.639101 0.355835 0.488358} Si5 6240 -1 7 {} N 0.0 {0.677897 0.3691 0.478658} N2 6241 -1 7 {} N 0.0 {0.654135 0.385792 0.465811} N3 6242 -1 7 {} N 0.0 {0.655435 0.356431 0.462716} N4 6243 -1 7 {} N 0.0 {0.626346 0.354496 0.502378} N5 6244 -1 7 {} N 0.0 {0.626348 0.358028 0.474668} N6 6245 -1 7 {} N 0.0 {0.647682 0.336769 0.489051} N7 6246 -1 8 {} O 0.0 {0.639576 0.436232 0.47839} O3 6247 -1 6 {} C 0.0 {0.629535 0.410421 0.466389} C1 6248 -1 8 {} O 0.0 {0.656641 0.42648 0.464404} O4 6249 -1 7 {} N 0.0 {0.638473 0.382131 0.514927} N8 6250 -1 8 {} O 0.0 {0.669139 0.383356 0.506053} O5 6251 -1 1 {} H 0.0 {0.653219 0.417673 0.513096} H1 6252 -1 1 {} H 0.0 {0.67445 0.416445 0.498091} H2 6253 -1 1 {} H 0.0 {0.6804 0.359311 0.479543} H3 6254 -1 1 {} H 0.0 {0.679848 0.371211 0.468847} H4 6255 -1 1 {} H 0.0 {0.650824 0.392329 0.472409} H5 6256 -1 1 {} H 0.0 {0.664147 0.387743 0.463931} H6 6257 -1 1 {} H 0.0 {0.647901 0.351278 0.46665} H7 6258 -1 1 {} H 0.0 {0.652008 0.36237 0.455144} H8 6259 -1 1 {} H 0.0 {0.631071 0.359785 0.509188} H9 6260 -1 1 {} H 0.0 {0.628009 0.344482 0.504759} H10 6261 -1 1 {} H 0.0 {0.617845 0.352376 0.474785} H11 6262 -1 1 {} H 0.0 {0.622135 0.366677 0.476993} H12 6263 -1 1 {} H 0.0 {0.639528 0.333011 0.495014} H13 6264 -1 1 {} H 0.0 {0.655606 0.334337 0.494678} H14 6265 -1 1 {} H 0.0 {0.644834 0.444405 0.475824} H15 6266 -1 1 {} H 0.0 {0.622757 0.407037 0.473502} H16 6267 -1 1 {} H 0.0 {0.634754 0.401182 0.464128} H17 6268 -1 1 {} H 0.0 {0.625509 0.41566 0.457461} H18 6269 -1 1 {} H 0.0 {0.663544 0.4291 0.470693} H19 6270 -1 1 {} H 0.0 {0.641526 0.389427 0.521394} H20 6271 -1 1 {} H 0.0 {0.641723 0.372913 0.519522} H21 6272 -1 1 {} H 0.0 {0.674137 0.379367 0.499125} H22 6273 -1 14 {} Si 0.0 {0.633394 0.452499 0.388811} Si1 6274 -1 8 {} O 0.0 {0.634837 0.452897 0.404416} O1 6275 -1 14 {} Si 0.0 {0.650931 0.430579 0.419858} Si2 6276 -1 8 {} O 0.0 {0.649374 0.442526 0.431039} O2 6277 -1 14 {} Si 0.0 {0.645759 0.404809 0.434391} Si3 6278 -1 7 {} N 0.0 {0.652171 0.393284 0.424066} N1 6279 -1 14 {} Si 0.0 {0.65365 0.396939 0.408105} Si4 6280 -1 14 {} Si 0.0 {0.651605 0.377742 0.430362} Si5 6281 -1 7 {} N 0.0 {0.638176 0.391913 0.397659} N2 6282 -1 7 {} N 0.0 {0.66849 0.387694 0.399786} N3 6283 -1 7 {} N 0.0 {0.654987 0.416982 0.404795} N4 6284 -1 7 {} N 0.0 {0.647912 0.364549 0.415877} N5 6285 -1 7 {} N 0.0 {0.668327 0.372037 0.438682} N6 6286 -1 7 {} N 0.0 {0.636256 0.37345 0.441479} N7 6287 -1 8 {} O 0.0 {0.608626 0.460026 0.379243} O3 6288 -1 6 {} C 0.0 {0.620734 0.447492 0.379277} C1 6289 -1 8 {} O 0.0 {0.653481 0.443661 0.386236} O4 6290 -1 7 {} N 0.0 {0.547683 0.444979 0.358033} N8 6291 -1 8 {} O 0.0 {0.630374 0.402666 0.4355} O5 6292 -1 1 {} H 0.0 {0.648563 0.41759 0.427253} H1 6293 -1 1 {} H 0.0 {0.572324 0.534601 0.31212} H2 6294 -1 1 {} H 0.0 {0.642425 0.385592 0.391049} H3 6295 -1 1 {} H 0.0 {0.633014 0.385562 0.403746} H4 6296 -1 1 {} H 0.0 {0.674244 0.387191 0.40805} H5 6297 -1 1 {} H 0.0 {0.67224 0.394913 0.393743} H6 6298 -1 1 {} H 0.0 {0.651924 0.417677 0.39497} H7 6299 -1 1 {} H 0.0 {0.665223 0.417627 0.403522} H8 6300 -1 1 {} H 0.0 {0.650194 0.370902 0.408279} H9 6301 -1 1 {} H 0.0 {0.65542 0.357605 0.417605} H10 6302 -1 1 {} H 0.0 {0.664892 0.372453 0.448734} H11 6303 -1 1 {} H 0.0 {0.673435 0.38062 0.437808} H12 6304 -1 1 {} H 0.0 {0.640939 0.374885 0.450365} H13 6305 -1 1 {} H 0.0 {0.636046 0.363505 0.440838} H14 6306 -1 1 {} H 0.0 {0.614397 0.467685 0.377096} H15 6307 -1 1 {} H 0.0 {0.616716 0.438563 0.383418} H16 6308 -1 1 {} H 0.0 {0.671285 0.522836 0.342006} H17 6309 -1 1 {} H 0.0 {0.624637 0.445845 0.369487} H18 6310 -1 1 {} H 0.0 {0.658541 0.450386 0.391516} H19 6311 -1 1 {} H 0.0 {0.539091 0.438974 0.360587} H20 6312 -1 1 {} H 0.0 {0.554906 0.440951 0.364437} H21 6313 -1 1 {} H 0.0 {0.628813 0.392365 0.436329} H22 6314 -1 14 {} Si 0.0 {0.385187 0.398248 0.645521} Si1 6315 -1 8 {} O 0.0 {0.385513 0.434449 0.660404} O1 6316 -1 14 {} Si 0.0 {0.336236 0.358792 0.299739} Si2 6317 -1 8 {} O 0.0 {0.347017 0.361938 0.31082} O2 6318 -1 14 {} Si 0.0 {0.357714 0.372457 0.316089} Si3 6319 -1 7 {} N 0.0 {0.369571 0.364741 0.328017} N1 6320 -1 14 {} Si 0.0 {0.37239 0.363772 0.344021} Si4 6321 -1 14 {} Si 0.0 {0.382811 0.3546 0.317601} Si5 6322 -1 7 {} N 0.0 {0.358177 0.373556 0.352139} N2 6323 -1 7 {} N 0.0 {0.389255 0.370624 0.349081} N3 6324 -1 7 {} N 0.0 {0.36871 0.345611 0.348698} N4 6325 -1 7 {} N 0.0 {0.386255 0.361047 0.299644} N5 6326 -1 7 {} N 0.0 {0.400689 0.355301 0.323846} N6 6327 -1 7 {} N 0.0 {0.378954 0.339379 0.316601} N7 6328 -1 8 {} O 0.0 {0.380795 0.411197 0.65483} O3 6329 -1 6 {} C 0.0 {0.405125 0.385001 0.676001} C1 6330 -1 8 {} O 0.0 {0.348418 0.344432 0.275041} O4 6331 -1 7 {} N 0.0 {0.350658 0.387742 0.325312} N8 6332 -1 8 {} O 0.0 {0.362062 0.376242 0.301496} O5 6333 -1 1 {} H 0.0 {0.344831 0.351696 0.28645} H1 6334 -1 1 {} H 0.0 {0.321499 0.355278 0.31424} H2 6335 -1 1 {} H 0.0 {0.356184 0.380197 0.344261} H3 6336 -1 1 {} H 0.0 {0.364067 0.378026 0.358465} H4 6337 -1 1 {} H 0.0 {0.391271 0.377856 0.342823} H5 6338 -1 1 {} H 0.0 {0.386756 0.374232 0.358246} H6 6339 -1 1 {} H 0.0 {0.375895 0.341218 0.343533} H7 6340 -1 1 {} H 0.0 {0.358845 0.344105 0.344072} H8 6341 -1 1 {} H 0.0 {0.383238 0.370685 0.300633} H9 6342 -1 1 {} H 0.0 {0.379381 0.356158 0.293871} H10 6343 -1 1 {} H 0.0 {0.400681 0.363735 0.329405} H11 6344 -1 1 {} H 0.0 {0.402658 0.348052 0.330365} H12 6345 -1 1 {} H 0.0 {0.380312 0.319134 0.319103} H13 6346 -1 1 {} H 0.0 {0.370028 0.336948 0.311927} H14 6347 -1 1 {} H 0.0 {0.400871 0.394194 0.675442} H15 6348 -1 1 {} H 0.0 {0.390296 0.412992 0.67215} H16 6349 -1 1 {} H 0.0 {0.383026 0.375822 0.650261} H17 6350 -1 1 {} H 0.0 {0.61416 0.273082 0.613238} H18 6351 -1 1 {} H 0.0 {0.353324 0.351219 0.270343} H19 6352 -1 1 {} H 0.0 {0.342749 0.390124 0.319598} H20 6353 -1 1 {} H 0.0 {0.357498 0.395243 0.323542} H21 6354 -1 1 {} H 0.0 {0.357925 0.384345 0.298292} H22 6355 -1 14 {} Si 0.0 {0.592087 0.423306 0.360328} Si1 6356 -1 8 {} O 0.0 {0.595333 0.437458 0.353874} O1 6357 -1 14 {} Si 0.0 {0.599356 0.452816 0.35403} Si2 6358 -1 8 {} O 0.0 {0.611843 0.452979 0.345109} O2 6359 -1 14 {} Si 0.0 {0.605906 0.459694 0.332214} Si3 6360 -1 7 {} N 0.0 {0.601635 0.451427 0.314808} N1 6361 -1 14 {} Si 0.0 {0.607589 0.453306 0.299511} Si4 6362 -1 14 {} Si 0.0 {0.591749 0.438006 0.314688} Si5 6363 -1 7 {} N 0.0 {0.596072 0.464242 0.289299} N2 6364 -1 7 {} N 0.0 {0.611047 0.437569 0.289234} N3 6365 -1 7 {} N 0.0 {0.625476 0.459675 0.301692} N4 6366 -1 7 {} N 0.0 {0.582975 0.432071 0.298642} N5 6367 -1 7 {} N 0.0 {0.599417 0.421658 0.320785} N6 6368 -1 7 {} N 0.0 {0.577568 0.442576 0.327494} N7 6369 -1 8 {} O 0.0 {0.576944 0.422394 0.356548} O3 6370 -1 6 {} C 0.0 {0.597583 0.419049 0.377993} C1 6371 -1 8 {} O 0.0 {0.596489 0.412883 0.347798} O4 6372 -1 7 {} N 0.0 {0.616328 0.476223 0.330343} N8 6373 -1 8 {} O 0.0 {0.589084 0.467365 0.341818} O5 6374 -1 1 {} H 0.0 {0.60407 0.457653 0.369842} H1 6375 -1 1 {} H 0.0 {0.550949 0.443955 0.348382} H2 6376 -1 1 {} H 0.0 {0.595629 0.473551 0.294832} H3 6377 -1 1 {} H 0.0 {0.587074 0.460413 0.292258} H4 6378 -1 1 {} H 0.0 {0.621066 0.43995 0.286956} H5 6379 -1 1 {} H 0.0 {0.60573 0.439085 0.280957} H6 6380 -1 1 {} H 0.0 {0.62834 0.453339 0.309287} H7 6381 -1 1 {} H 0.0 {0.623721 0.468317 0.306831} H8 6382 -1 1 {} H 0.0 {0.591001 0.427324 0.294387} H9 6383 -1 1 {} H 0.0 {0.58219 0.441051 0.293865} H10 6384 -1 1 {} H 0.0 {0.597687 0.415179 0.313083} H11 6385 -1 1 {} H 0.0 {0.609562 0.42286 0.320168} H12 6386 -1 1 {} H 0.0 {0.579966 0.451907 0.329912} H13 6387 -1 1 {} H 0.0 {0.579645 0.437286 0.336202} H14 6388 -1 1 {} H 0.0 {0.575271 0.413735 0.35279} H15 6389 -1 1 {} H 0.0 {0.598859 0.428708 0.383178} H16 6390 -1 1 {} H 0.0 {0.606514 0.413279 0.37744} H17 6391 -1 1 {} H 0.0 {0.590178 0.413385 0.382927} H18 6392 -1 1 {} H 0.0 {0.600142 0.417735 0.340415} H19 6393 -1 1 {} H 0.0 {0.619006 0.480246 0.338992} H20 6394 -1 1 {} H 0.0 {0.624993 0.473693 0.326063} H21 6395 -1 1 {} H 0.0 {0.592777 0.475206 0.347013} H22 6396 -1 14 {} Si 0.0 {0.651099 0.301028 0.582329} Si1 6397 -1 8 {} O 0.0 {0.66582 0.294561 0.57788} O1 6398 -1 14 {} Si 0.0 {0.673971 0.286102 0.567971} Si2 6399 -1 8 {} O 0.0 {0.67039 0.292031 0.553864} O2 6400 -1 14 {} Si 0.0 {0.674233 0.295403 0.539294} Si3 6401 -1 7 {} N 0.0 {0.678313 0.313437 0.534051} N1 6402 -1 14 {} Si 0.0 {0.67824 0.326312 0.544213} Si4 6403 -1 14 {} Si 0.0 {0.684656 0.317437 0.519645} Si5 6404 -1 7 {} N 0.0 {0.660463 0.329661 0.549939} N2 6405 -1 7 {} N 0.0 {0.685248 0.342384 0.535718} N3 6406 -1 7 {} N 0.0 {0.689265 0.323657 0.559967} N4 6407 -1 7 {} N 0.0 {0.675389 0.331188 0.509633} N5 6408 -1 7 {} N 0.0 {0.70267 0.324917 0.51805} N6 6409 -1 7 {} N 0.0 {0.683282 0.300985 0.507812} N7 6410 -1 8 {} O 0.0 {0.630717 0.324814 0.582264} O3 6411 -1 6 {} C 0.0 {0.641956 0.305991 0.566953} C1 6412 -1 8 {} O 0.0 {0.648415 0.288876 0.592783} O4 6413 -1 7 {} N 0.0 {0.660604 0.291015 0.527241} N8 6414 -1 8 {} O 0.0 {0.686771 0.286445 0.540087} O5 6415 -1 1 {} H 0.0 {0.679813 0.256877 0.58091} H1 6416 -1 1 {} H 0.0 {0.690076 0.287551 0.572504} H2 6417 -1 1 {} H 0.0 {0.655857 0.321904 0.545093} H3 6418 -1 1 {} H 0.0 {0.659365 0.337985 0.543659} H4 6419 -1 1 {} H 0.0 {0.689609 0.346979 0.543484} H5 6420 -1 1 {} H 0.0 {0.679517 0.348999 0.531398} H6 6421 -1 1 {} H 0.0 {0.698042 0.328487 0.55808} H7 6422 -1 1 {} H 0.0 {0.689298 0.313262 0.559207} H8 6423 -1 1 {} H 0.0 {0.668897 0.336657 0.515757} H9 6424 -1 1 {} H 0.0 {0.682595 0.337313 0.50595} H10 6425 -1 1 {} H 0.0 {0.700132 0.334752 0.519159} H11 6426 -1 1 {} H 0.0 {0.706484 0.323305 0.527265} H12 6427 -1 1 {} H 0.0 {0.672722 0.301141 0.50642} H13 6428 -1 1 {} H 0.0 {0.6847 0.294355 0.515722} H14 6429 -1 1 {} H 0.0 {0.631238 0.3326 0.588329} H15 6430 -1 1 {} H 0.0 {0.633051 0.300047 0.566494} H16 6431 -1 1 {} H 0.0 {0.648728 0.303561 0.558873} H17 6432 -1 1 {} H 0.0 {0.641553 0.317079 0.56634} H18 6433 -1 1 {} H 0.0 {0.655006 0.28218 0.590269} H19 6434 -1 1 {} H 0.0 {0.658242 0.299547 0.522476} H20 6435 -1 1 {} H 0.0 {0.652572 0.289504 0.533355} H21 6436 -1 1 {} H 0.0 {0.703135 0.291521 0.566583} H22 6437 -1 14 {} Si 0.0 {0.326345 0.343263 0.570235} Si1 6438 -1 8 {} O 0.0 {0.310773 0.342321 0.566668} O1 6439 -1 14 {} Si 0.0 {0.298981 0.344785 0.556823} Si2 6440 -1 8 {} O 0.0 {0.299565 0.33146 0.548821} O2 6441 -1 14 {} Si 0.0 {0.305236 0.323061 0.53725} Si3 6442 -1 7 {} N 0.0 {0.307409 0.33011 0.518362} N1 6443 -1 14 {} Si 0.0 {0.311107 0.323147 0.50398} Si4 6444 -1 14 {} Si 0.0 {0.303961 0.346144 0.517596} Si5 6445 -1 7 {} N 0.0 {0.303409 0.329676 0.487373} N2 6446 -1 7 {} N 0.0 {0.303843 0.305215 0.50504} N3 6447 -1 7 {} N 0.0 {0.329954 0.323015 0.499457} N4 6448 -1 7 {} N 0.0 {0.319239 0.354465 0.507046} N5 6449 -1 7 {} N 0.0 {0.28645 0.348315 0.510361} N6 6450 -1 7 {} N 0.0 {0.670865 0.405749 0.448928} N7 6451 -1 8 {} O 0.0 {0.294004 0.312279 0.538888} O3 6452 -1 6 {} C 0.0 {0.340272 0.341073 0.560168} C1 6453 -1 8 {} O 0.0 {0.299297 0.359147 0.544491} O4 6454 -1 7 {} N 0.0 {0.669561 0.362359 0.550782} N8 6455 -1 8 {} O 0.0 {0.70026 0.353583 0.457235} O5 6456 -1 1 {} H 0.0 {0.287177 0.31467 0.532475} H1 6457 -1 1 {} H 0.0 {0.285992 0.345077 0.564858} H2 6458 -1 1 {} H 0.0 {0.308356 0.338859 0.488019} H3 6459 -1 1 {} H 0.0 {0.308683 0.324975 0.480558} H4 6460 -1 1 {} H 0.0 {0.312304 0.300654 0.501504} H5 6461 -1 1 {} H 0.0 {0.303623 0.303773 0.515008} H6 6462 -1 1 {} H 0.0 {0.330665 0.312915 0.499847} H7 6463 -1 1 {} H 0.0 {0.328518 0.326151 0.489804} H8 6464 -1 1 {} H 0.0 {0.321366 0.34844 0.498981} H9 6465 -1 1 {} H 0.0 {0.32601 0.351794 0.514329} H10 6466 -1 1 {} H 0.0 {0.282904 0.338933 0.511773} H11 6467 -1 1 {} H 0.0 {0.288662 0.348479 0.500311} H12 6468 -1 1 {} H 0.0 {0.308062 0.662939 0.408878} H13 6469 -1 1 {} H 0.0 {0.670698 0.415199 0.453224} H14 6470 -1 1 {} H 0.0 {0.30146 0.353342 0.532579} H15 6471 -1 1 {} H 0.0 {0.34919 0.341411 0.566207} H16 6472 -1 1 {} H 0.0 {0.323695 0.272655 0.544451} H17 6473 -1 1 {} H 0.0 {0.340664 0.330751 0.555642} H18 6474 -1 1 {} H 0.0 {0.308072 0.362771 0.545987} H19 6475 -1 1 {} H 0.0 {0.664886 0.36124 0.54181} H20 6476 -1 1 {} H 0.0 {0.672081 0.352679 0.554318} H21 6477 -1 1 {} H 0.0 {0.32363 0.296987 0.578083} H22 6478 -1 14 {} Si 0.0 {0.631302 0.614832 0.561552} Si1 6479 -1 8 {} O 0.0 {0.618084 0.591929 0.559249} O1 6480 -1 14 {} Si 0.0 {0.630333 0.58426 0.565923} Si2 6481 -1 8 {} O 0.0 {0.635895 0.578934 0.552602} O2 6482 -1 14 {} Si 0.0 {0.634679 0.573312 0.538584} Si3 6483 -1 7 {} N 0.0 {0.650575 0.573814 0.527413} N1 6484 -1 14 {} Si 0.0 {0.652242 0.572156 0.511494} Si4 6485 -1 14 {} Si 0.0 {0.665445 0.571731 0.534975} Si5 6486 -1 7 {} N 0.0 {0.652784 0.553967 0.504852} N2 6487 -1 7 {} N 0.0 {0.669397 0.579343 0.5062} N3 6488 -1 7 {} N 0.0 {0.638424 0.583214 0.501932} N4 6489 -1 7 {} N 0.0 {0.678371 0.558898 0.525969} N5 6490 -1 7 {} N 0.0 {0.675098 0.588568 0.536934} N6 6491 -1 7 {} N 0.0 {0.662096 0.561016 0.55047} N7 6492 -1 8 {} O 0.0 {0.631479 0.617733 0.57709} O3 6493 -1 6 {} C 0.0 {0.622595 0.62588 0.548868} C1 6494 -1 8 {} O 0.0 {0.646135 0.609778 0.558144} O4 6495 -1 7 {} N 0.0 {0.620758 0.577408 0.525874} N8 6496 -1 8 {} O 0.0 {0.630385 0.558352 0.542094} O5 6497 -1 1 {} H 0.0 {0.640003 0.592838 0.569925} H1 6498 -1 1 {} H 0.0 {0.621168 0.60149 0.557425} H2 6499 -1 1 {} H 0.0 {0.645158 0.550436 0.51118} H3 6500 -1 1 {} H 0.0 {0.660975 0.552157 0.5099} H4 6501 -1 1 {} H 0.0 {0.670455 0.585554 0.513872} H5 6502 -1 1 {} H 0.0 {0.667013 0.58524 0.498842} H6 6503 -1 1 {} H 0.0 {0.642885 0.59202 0.503098} H7 6504 -1 1 {} H 0.0 {0.640908 0.58014 0.492456} H8 6505 -1 1 {} H 0.0 {0.683243 0.56606 0.520136} H9 6506 -1 1 {} H 0.0 {0.68411 0.557531 0.534024} H10 6507 -1 1 {} H 0.0 {0.666264 0.593744 0.537687} H11 6508 -1 1 {} H 0.0 {0.677279 0.587344 0.546743} H12 6509 -1 1 {} H 0.0 {0.663918 0.551179 0.547833} H13 6510 -1 1 {} H 0.0 {0.652135 0.561088 0.551461} H14 6511 -1 1 {} H 0.0 {0.640652 0.619284 0.580738} H15 6512 -1 1 {} H 0.0 {0.612798 0.627713 0.552558} H16 6513 -1 1 {} H 0.0 {0.622683 0.620772 0.539666} H17 6514 -1 1 {} H 0.0 {0.628928 0.634556 0.5485} H18 6515 -1 1 {} H 0.0 {0.648248 0.611887 0.548648} H19 6516 -1 1 {} H 0.0 {0.612613 0.572949 0.528857} H20 6517 -1 1 {} H 0.0 {0.625008 0.573479 0.517291} H21 6518 -1 1 {} H 0.0 {0.620871 0.557636 0.545505} H22 6519 -1 14 {} Si 0.0 {0.563304 0.391587 0.57049} Si1 6520 -1 8 {} O 0.0 {0.577499 0.398293 0.568136} O1 6521 -1 14 {} Si 0.0 {0.589433 0.409276 0.566557} Si2 6522 -1 8 {} O 0.0 {0.597849 0.408531 0.552847} O2 6523 -1 14 {} Si 0.0 {0.611577 0.408614 0.544951} Si3 6524 -1 7 {} N 0.0 {0.623362 0.420153 0.552702} N1 6525 -1 14 {} Si 0.0 {0.634857 0.426801 0.561855} Si4 6526 -1 14 {} Si 0.0 {0.662591 0.490307 0.521134} Si5 6527 -1 7 {} N 0.0 {0.707782 0.448008 0.43325} N2 6528 -1 7 {} N 0.0 {0.648825 0.522933 0.500607} N3 6529 -1 7 {} N 0.0 {0.686236 0.461791 0.525136} N4 6530 -1 7 {} N 0.0 {0.678077 0.493396 0.51862} N5 6531 -1 7 {} N 0.0 {0.719709 0.551339 0.593353} N6 6532 -1 7 {} N 0.0 {0.689478 0.49558 0.488426} N7 6533 -1 8 {} O 0.0 {0.606023 0.468258 0.57955} O3 6534 -1 6 {} C 0.0 {0.547485 0.414832 0.567502} C1 6535 -1 8 {} O 0.0 {0.566532 0.382838 0.582451} O4 6536 -1 7 {} N 0.0 {0.61299 0.409709 0.527461} N8 6537 -1 8 {} O 0.0 {0.614571 0.393774 0.549851} O5 6538 -1 1 {} H 0.0 {0.599401 0.408867 0.580483} H1 6539 -1 1 {} H 0.0 {0.582518 0.422496 0.565923} H2 6540 -1 1 {} H 0.0 {0.700923 0.454359 0.428455} H3 6541 -1 1 {} H 0.0 {0.711038 0.453351 0.441226} H4 6542 -1 1 {} H 0.0 {0.641233 0.52284 0.493611} H5 6543 -1 1 {} H 0.0 {0.647687 0.513921 0.504924} H6 6544 -1 1 {} H 0.0 {0.694928 0.457493 0.521487} H7 6545 -1 1 {} H 0.0 {0.685268 0.471046 0.520616} H8 6546 -1 1 {} H 0.0 {0.573336 0.996883 0.753978} H9 6547 -1 1 {} H 0.0 {0.559524 0.493292 0.635912} H10 6548 -1 1 {} H 0.0 {0.699313 0.346757 0.465061} H11 6549 -1 1 {} H 0.0 {0.594648 0.268268 0.567488} H12 6550 -1 1 {} H 0.0 {0.682385 0.488511 0.485698} H13 6551 -1 1 {} H 0.0 {0.687399 0.498792 0.498237} H14 6552 -1 1 {} H 0.0 {0.601415 0.461306 0.574715} H15 6553 -1 1 {} H 0.0 {0.537179 0.413146 0.566426} H16 6554 -1 1 {} H 0.0 {0.553529 0.403129 0.57738} H17 6555 -1 1 {} H 0.0 {0.552404 0.417122 0.55832} H18 6556 -1 1 {} H 0.0 {0.56493 0.373155 0.579645} H19 6557 -1 1 {} H 0.0 {0.610969 0.400623 0.523004} H20 6558 -1 1 {} H 0.0 {0.622155 0.411402 0.523794} H21 6559 -1 1 {} H 0.0 {0.609072 0.388035 0.544946} 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 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5043 6520 6519 {0 0 0} 0 5044 1729 1734 {0 0 0} 0 5045 3703 3697 {0 0 0} 0 5046 493 492 {0 0 0} 0 5047 822 821 {0 0 0} 0 5048 1850 1849 {0 0 0} 0 5049 4680 4679 {0 0 0} 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 ? {} {} {} {}}} } } }