job.id 456 job.name {3D WY-9 cubic init velocity-NVT 0.2.fs, 1900 to sphere, From job 435, 438} job.description { } job.status finished job.submitted {2025-01-05 16:00:43} job.started {2025-01-05 16:00:44} job.finished {2025-01-06 06:07:13} job.queue 8 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-stage-variables-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7 Options {-data {{tstep 0.2 fs} {T 300 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-start-5bd45f31-6473-4c7a-b0c5-df6275c11e7c {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-5bd45f31-6473-4c7a-b0c5-df6275c11e7c 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 {$system} -workingdirectory .} } md-lammps-stage-301b9339-424b-457a-9f22-9e7cb998173d MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-301b9339-424b-457a-9f22-9e7cb998173d Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-variables-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7 out}} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-67b8da22-d272-45dd-90a7-96090c541008 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-67b8da22-d272-45dd-90a7-96090c541008 Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-5a3fdaba-815a-41f0-8ce9-83cfe2d561a9 out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-c6a96fad-2fc0-488a-a160-bc11f6dd11fc MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-c6a96fad-2fc0-488a-a160-bc11f6dd11fc Options {-finaltemperature {$T} -trajectorysampling {0 frames} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {900 ps} -temperaturecontrol Nose-Hoover -dpd_seed 1234567 -initialtemperature {$T} -sampling {10000 samples} -rescaling_interval 100 -berendsen_damping {100.0 fs} -rescaling_fraction 1.0 -nativetrajectory 0 -rescaling_window 20 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-5a3fdaba-815a-41f0-8ce9-83cfe2d561a9 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-5a3fdaba-815a-41f0-8ce9-83cfe2d561a9 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-1491afb2-860b-428f-b84e-3cccb3f34eaf MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Velocities { Class ::MD::LAMMPS::Stage::Velocities Version 1.2 Id md-lammps-stage-1491afb2-860b-428f-b84e-3cccb3f34eaf Options {-zerorotation 0 -autorandom 0 -randomseed 72489 -temperature {$T} -zerotranslation 1 -ff ::fF0 -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } } Connections { md-lammps-stage-67b8da22-d272-45dd-90a7-96090c541008,md-lammps-stage-1491afb2-860b-428f-b84e-3cccb3f34eaf 1 md-stage-start-5a3fdaba-815a-41f0-8ce9-83cfe2d561a9,md-lammps-stage-67b8da22-d272-45dd-90a7-96090c541008 1 md-lammps-stage-1491afb2-860b-428f-b84e-3cccb3f34eaf,md-lammps-stage-c6a96fad-2fc0-488a-a160-bc11f6dd11fc 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-8f42dc0c-d1a7-46f9-897c-5a08d792c094 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-8f42dc0c-d1a7-46f9-897c-5a08d792c094 Options {-height 120 -selected 0 -description {Temp: $T Time: 900 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-c6a96fad-2fc0-488a-a160-bc11f6dd11fc} } md-flowchart-rectangle-74a5137c-ffac-4acc-9936-531d2cdc9f70 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-74a5137c-ffac-4acc-9936-531d2cdc9f70 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-1491afb2-860b-428f-b84e-3cccb3f34eaf} } md-flowchart-oval-f33a0a5f-7e82-4bf1-90bd-2bfda40e8d72 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-f33a0a5f-7e82-4bf1-90bd-2bfda40e8d72 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-67b8da22-d272-45dd-90a7-96090c541008} } md-flowchart-circle1-d79f8682-e87a-47ae-beed-6e157bc83bb5 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-d79f8682-e87a-47ae-beed-6e157bc83bb5 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-5a3fdaba-815a-41f0-8ce9-83cfe2d561a9} } } Connections { md-flowchart-circle1-d79f8682-e87a-47ae-beed-6e157bc83bb5,md-flowchart-oval-f33a0a5f-7e82-4bf1-90bd-2bfda40e8d72 70 md-flowchart-rectangle-74a5137c-ffac-4acc-9936-531d2cdc9f70,md-flowchart-rectangle-8f42dc0c-d1a7-46f9-897c-5a08d792c094 66 md-flowchart-oval-f33a0a5f-7e82-4bf1-90bd-2bfda40e8d72,md-flowchart-rectangle-74a5137c-ffac-4acc-9936-531d2cdc9f70 76 } } } } } Connections { md-stage-variables-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7,md-lammps-stage-301b9339-424b-457a-9f22-9e7cb998173d 1 md-stage-start-5bd45f31-6473-4c7a-b0c5-df6275c11e7c,md-stage-variables-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-b21f22fe-0019-4cfc-8c59-4c6920c38939 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-b21f22fe-0019-4cfc-8c59-4c6920c38939 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-5bd45f31-6473-4c7a-b0c5-df6275c11e7c} } md-flowchart-oval-393a220d-935d-4258-8a9e-9918363b02ec ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-393a220d-935d-4258-8a9e-9918363b02ec 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-77ae95e7-3ad9-4912-a17a-c7c7f1e3f4f7} } md-flowchart-rectangle-3e2f441b-09b9-42cb-b0cd-f02ee48a4a3e ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-3e2f441b-09b9-42cb-b0cd-f02ee48a4a3e Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-301b9339-424b-457a-9f22-9e7cb998173d} } } Connections { md-flowchart-oval-393a220d-935d-4258-8a9e-9918363b02ec,md-flowchart-rectangle-3e2f441b-09b9-42cb-b0cd-f02ee48a4a3e 292 md-flowchart-circle1-b21f22fe-0019-4cfc-8c59-4c6920c38939,md-flowchart-oval-393a220d-935d-4258-8a9e-9918363b02ec 286 } } } 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 {0.558828 0.664773 0.366322} Si1 1 -1 8 {} O 0.0 {0.545937 0.670563 0.373637} O1 2 -1 14 {} Si 0.0 {0.542848 0.679582 0.386309} Si2 3 -1 8 {} O 0.0 {0.554575 0.67492 0.395346} O2 4 -1 14 {} Si 0.0 {0.568505 0.667252 0.395204} Si3 5 -1 7 {} N 0.0 {0.571722 0.657026 0.411799} N1 6 -1 14 {} Si 0.0 {0.581871 0.662282 0.423696} Si4 7 -1 14 {} Si 0.0 {0.564321 0.642671 0.415456} Si5 8 -1 7 {} N 0.0 {0.577385 0.656816 0.440016} N2 9 -1 7 {} N 0.0 {0.58228 0.681396 0.424967} N3 10 -1 7 {} N 0.0 {0.59929 0.658117 0.418598} N4 11 -1 7 {} N 0.0 {0.576343 0.62933 0.420757} N5 12 -1 7 {} N 0.0 {0.550527 0.640926 0.427904} N6 13 -1 7 {} N 0.0 {0.556407 0.637061 0.397694} N7 14 -1 8 {} O 0.0 {0.4269 0.375373 0.696903} O3 15 -1 6 {} C 0.0 {0.569576 0.672572 0.352807} C1 16 -1 8 {} O 0.0 {0.556167 0.298848 0.587625} O4 17 -1 7 {} N 0.0 {0.58495 0.67781 0.39644} N8 18 -1 8 {} O 0.0 {0.565953 0.660297 0.381099} O5 19 -1 1 {} H 0.0 {0.527605 0.676664 0.392036} H1 20 -1 1 {} H 0.0 {0.544572 0.693493 0.383428} H2 21 -1 1 {} H 0.0 {0.586779 0.656845 0.444593} H3 22 -1 1 {} H 0.0 {0.575129 0.647104 0.439339} H4 23 -1 1 {} H 0.0 {0.573511 0.683898 0.419945} H5 24 -1 1 {} H 0.0 {0.579243 0.683318 0.434363} H6 25 -1 1 {} H 0.0 {0.604725 0.6611 0.426552} H7 26 -1 1 {} H 0.0 {0.59915 0.647915 0.419466} H8 27 -1 1 {} H 0.0 {0.585085 0.634186 0.4211} H9 28 -1 1 {} H 0.0 {0.573034 0.627396 0.429934} H10 29 -1 1 {} H 0.0 {0.554212 0.644193 0.436729} H11 30 -1 1 {} H 0.0 {0.54836 0.631159 0.428204} H12 31 -1 1 {} H 0.0 {0.559278 0.64496 0.391634} H13 32 -1 1 {} H 0.0 {0.546183 0.637422 0.4} H14 33 -1 1 {} H 0.0 {0.505442 0.59456 0.475745} H15 34 -1 1 {} H 0.0 {0.577266 0.678388 0.357147} H16 35 -1 1 {} H 0.0 {0.562984 0.679062 0.347558} H17 36 -1 1 {} H 0.0 {0.573631 0.664555 0.347253} H18 37 -1 1 {} H 0.0 {0.43368 0.36794 0.695549} H19 38 -1 1 {} H 0.0 {0.590615 0.672908 0.4031} H20 39 -1 1 {} H 0.0 {0.581694 0.686521 0.400857} H21 40 -1 1 {} H 0.0 {0.674442 0.601936 0.467028} H22 41 -1 14 {} Si 0.0 {0.528752 0.428228 0.747472} Si1 42 -1 8 {} O 0.0 {0.51681 0.433521 0.756153} O1 43 -1 14 {} Si 0.0 {0.502349 0.432281 0.761368} Si2 44 -1 8 {} O 0.0 {0.595785 0.697257 0.567029} O2 45 -1 14 {} Si 0.0 {0.576165 0.725638 0.596365} Si3 46 -1 7 {} N 0.0 {0.467708 0.415794 0.739157} N1 47 -1 14 {} Si 0.0 {0.614019 0.687147 0.612061} Si4 48 -1 14 {} Si 0.0 {0.471692 0.422707 0.753157} Si5 49 -1 7 {} N 0.0 {0.58993 0.716022 0.598497} N2 50 -1 7 {} N 0.0 {0.688225 0.473145 0.520791} N3 51 -1 7 {} N 0.0 {0.606222 0.631608 0.662424} N4 52 -1 7 {} N 0.0 {0.466815 0.413265 0.769073} N5 53 -1 7 {} N 0.0 {0.484174 0.43965 0.75393} N6 54 -1 7 {} N 0.0 {0.57628 0.707335 0.623004} N7 55 -1 8 {} O 0.0 {0.534945 0.416511 0.756456} O3 56 -1 6 {} C 0.0 {0.636616 0.678796 0.669979} C1 57 -1 8 {} O 0.0 {0.519437 0.42041 0.737847} O4 58 -1 7 {} N 0.0 {0.580416 0.744336 0.593886} N8 59 -1 8 {} O 0.0 {0.512615 0.383225 0.667946} O5 60 -1 1 {} H 0.0 {0.500707 0.438067 0.776089} H1 61 -1 1 {} H 0.0 {0.496497 0.429156 0.732028} H2 62 -1 1 {} H 0.0 {0.615553 0.717546 0.59167} H3 63 -1 1 {} H 0.0 {0.3836 0.35899 0.673815} H4 64 -1 1 {} H 0.0 {0.693293 0.469263 0.51268} H5 65 -1 1 {} H 0.0 {0.351001 0.687303 0.444746} H6 66 -1 1 {} H 0.0 {0.487169 0.503402 0.718029} H7 67 -1 1 {} H 0.0 {0.608233 0.621793 0.660691} H8 68 -1 1 {} H 0.0 {0.466672 0.403442 0.765824} H9 69 -1 1 {} H 0.0 {0.45689 0.415339 0.771802} H10 70 -1 1 {} H 0.0 {0.478114 0.444139 0.747065} H11 71 -1 1 {} H 0.0 {0.482401 0.444993 0.762477} H12 72 -1 1 {} H 0.0 {0.579247 0.701416 0.630886} H13 73 -1 1 {} H 0.0 {0.572231 0.701613 0.615196} H14 74 -1 1 {} H 0.0 {0.53393 0.408327 0.75178} H15 75 -1 1 {} H 0.0 {0.637888 0.686288 0.677557} H16 76 -1 1 {} H 0.0 {0.646181 0.675605 0.666322} H17 77 -1 1 {} H 0.0 {0.447847 0.619518 0.232562} H18 78 -1 1 {} H 0.0 {0.516471 0.426384 0.731124} H19 79 -1 1 {} H 0.0 {0.572112 0.749247 0.59098} H20 80 -1 1 {} H 0.0 {0.58643 0.743004 0.586072} H21 81 -1 1 {} H 0.0 {0.503329 0.385662 0.665356} H22 82 -1 14 {} Si 0.0 {0.649704 0.349738 0.575096} Si1 83 -1 8 {} O 0.0 {0.648125 0.334637 0.575941} O1 84 -1 14 {} Si 0.0 {0.638555 0.322499 0.580391} Si2 85 -1 8 {} O 0.0 {0.626135 0.327853 0.58916} O2 86 -1 14 {} Si 0.0 {0.613192 0.337173 0.585} Si3 87 -1 7 {} N 0.0 {0.597952 0.383827 0.593923} N1 88 -1 14 {} Si 0.0 {0.582651 0.379328 0.588962} Si4 89 -1 14 {} Si 0.0 {0.612645 0.377128 0.590157} Si5 90 -1 7 {} N 0.0 {0.567553 0.375304 0.60343} N2 91 -1 7 {} N 0.0 {0.582153 0.359576 0.582353} N3 92 -1 7 {} N 0.0 {0.580494 0.384673 0.570327} N4 93 -1 7 {} N 0.0 {0.614451 0.379246 0.571632} N5 94 -1 7 {} N 0.0 {0.625439 0.384601 0.598741} N6 95 -1 7 {} N 0.0 {0.612297 0.356443 0.592494} N7 96 -1 8 {} O 0.0 {0.668689 0.347831 0.565208} O3 97 -1 6 {} C 0.0 {0.647374 0.360785 0.589929} C1 98 -1 8 {} O 0.0 {0.641606 0.350836 0.561341} O4 99 -1 7 {} N 0.0 {0.597979 0.331187 0.587087} N8 100 -1 8 {} O 0.0 {0.615298 0.335998 0.56548} O5 101 -1 1 {} H 0.0 {0.646906 0.310874 0.588296} H1 102 -1 1 {} H 0.0 {0.632666 0.316375 0.566486} H2 103 -1 1 {} H 0.0 {0.57407 0.37346 0.611272} H3 104 -1 1 {} H 0.0 {0.564876 0.365953 0.600956} H4 105 -1 1 {} H 0.0 {0.576629 0.360448 0.5743} H5 106 -1 1 {} H 0.0 {0.59184 0.359003 0.579651} H6 107 -1 1 {} H 0.0 {0.586524 0.392503 0.571185} H7 108 -1 1 {} H 0.0 {0.585748 0.376778 0.565907} H8 109 -1 1 {} H 0.0 {0.607193 0.385902 0.569109} H9 110 -1 1 {} H 0.0 {0.622832 0.384664 0.570965} H10 111 -1 1 {} H 0.0 {0.623673 0.382636 0.608822} H11 112 -1 1 {} H 0.0 {0.624361 0.394719 0.597551} H12 113 -1 1 {} H 0.0 {0.618496 0.356992 0.60039} H13 114 -1 1 {} H 0.0 {0.603707 0.354514 0.597529} H14 115 -1 1 {} H 0.0 {0.666525 0.341239 0.556913} H15 116 -1 1 {} H 0.0 {0.657345 0.363173 0.592487} H16 117 -1 1 {} H 0.0 {0.64363 0.353657 0.596683} H17 118 -1 1 {} H 0.0 {0.64074 0.36866 0.587413} H18 119 -1 1 {} H 0.0 {0.648246 0.353758 0.554506} H19 120 -1 1 {} H 0.0 {0.595764 0.32224 0.582907} H20 121 -1 1 {} H 0.0 {0.674273 0.269446 0.515282} H21 122 -1 1 {} H 0.0 {0.624079 0.341081 0.563666} H22 123 -1 14 {} Si 0.0 {0.619236 0.538546 0.601286} Si1 124 -1 8 {} O 0.0 {0.609875 0.536088 0.589143} O1 125 -1 14 {} Si 0.0 {0.599428 0.543401 0.580195} Si2 126 -1 8 {} O 0.0 {0.588269 0.547941 0.590402} O2 127 -1 14 {} Si 0.0 {0.576857 0.557769 0.593756} Si3 128 -1 7 {} N 0.0 {0.567983 0.569085 0.579701} N1 129 -1 14 {} Si 0.0 {0.572942 0.584259 0.574084} Si4 130 -1 14 {} Si 0.0 {0.556408 0.564614 0.569008} Si5 131 -1 7 {} N 0.0 {0.561196 0.593584 0.563328} N2 132 -1 7 {} N 0.0 {0.589192 0.583935 0.564533} N3 133 -1 7 {} N 0.0 {0.576743 0.595487 0.589481} N4 134 -1 7 {} N 0.0 {0.559831 0.567458 0.549761} N5 135 -1 7 {} N 0.0 {0.554502 0.545317 0.569173} N6 136 -1 7 {} N 0.0 {0.539272 0.569254 0.573823} N7 137 -1 8 {} O 0.0 {0.631955 0.542539 0.59312} O3 138 -1 6 {} C 0.0 {0.620045 0.525952 0.61495} C1 139 -1 8 {} O 0.0 {0.612117 0.558527 0.605895} O4 140 -1 7 {} N 0.0 {0.579052 0.569506 0.60703} N8 141 -1 8 {} O 0.0 {0.56642 0.546435 0.597309} O5 142 -1 1 {} H 0.0 {0.593613 0.530682 0.571229} H1 143 -1 1 {} H 0.0 {0.613579 0.585188 0.548224} H2 144 -1 1 {} H 0.0 {0.557574 0.600826 0.569008} H3 145 -1 1 {} H 0.0 {0.567645 0.597732 0.557123} H4 146 -1 1 {} H 0.0 {0.592311 0.593803 0.5633} H5 147 -1 1 {} H 0.0 {0.585617 0.581735 0.555418} H6 148 -1 1 {} H 0.0 {0.568539 0.601491 0.587908} H7 149 -1 1 {} H 0.0 {0.584755 0.600485 0.586074} H8 150 -1 1 {} H 0.0 {0.551382 0.572993 0.547621} H9 151 -1 1 {} H 0.0 {0.568005 0.57421 0.551266} H10 152 -1 1 {} H 0.0 {0.551595 0.543112 0.559617} H11 153 -1 1 {} H 0.0 {0.564636 0.543758 0.568879} H12 154 -1 1 {} H 0.0 {0.534887 0.560489 0.570536} H13 155 -1 1 {} H 0.0 {0.534223 0.576469 0.568302} H14 156 -1 1 {} H 0.0 {0.632129 0.552343 0.591762} H15 157 -1 1 {} H 0.0 {0.622927 0.532075 0.623374} H16 158 -1 1 {} H 0.0 {0.627616 0.518468 0.613345} H17 159 -1 1 {} H 0.0 {0.61022 0.521399 0.615927} H18 160 -1 1 {} H 0.0 {0.608372 0.556444 0.614778} H19 161 -1 1 {} H 0.0 {0.574073 0.565358 0.615424} H20 162 -1 1 {} H 0.0 {0.573693 0.578092 0.605136} H21 163 -1 1 {} H 0.0 {0.561047 0.543548 0.589847} H22 164 -1 14 {} Si 0.0 {0.721739 0.450323 0.473441} Si1 165 -1 8 {} O 0.0 {0.716103 0.450493 0.488778} O1 166 -1 14 {} Si 0.0 {0.722582 0.451976 0.503232} Si2 167 -1 8 {} O 0.0 {0.728055 0.437926 0.508523} O2 168 -1 14 {} Si 0.0 {0.727468 0.424868 0.517587} Si3 169 -1 7 {} N 0.0 {0.718068 0.42189 0.530811} N1 170 -1 14 {} Si 0.0 {0.677191 0.455321 0.492507} Si4 171 -1 14 {} Si 0.0 {0.705447 0.419897 0.540217} Si5 172 -1 7 {} N 0.0 {0.64169 0.494008 0.450738} N2 173 -1 7 {} N 0.0 {0.689947 0.465583 0.488973} N3 174 -1 7 {} N 0.0 {0.660863 0.463963 0.493358} N4 175 -1 7 {} N 0.0 {0.700413 0.437112 0.546888} N5 176 -1 7 {} N 0.0 {0.706987 0.406577 0.553446} N6 177 -1 7 {} N 0.0 {0.378009 0.339157 0.612287} N7 178 -1 8 {} O 0.0 {0.736664 0.436937 0.478535} O3 179 -1 6 {} C 0.0 {0.724285 0.4695 0.45709} C1 180 -1 8 {} O 0.0 {0.729591 0.464821 0.473711} O4 181 -1 7 {} N 0.0 {0.745586 0.417392 0.521463} N8 182 -1 8 {} O 0.0 {0.72236 0.416327 0.505215} O5 183 -1 1 {} H 0.0 {0.712169 0.456482 0.51366} H1 184 -1 1 {} H 0.0 {0.73333 0.461717 0.503147} H2 185 -1 1 {} H 0.0 {0.641822 0.496046 0.461213} H3 186 -1 1 {} H 0.0 {0.326229 0.722957 0.463965} H4 187 -1 1 {} H 0.0 {0.689317 0.469881 0.479605} H5 188 -1 1 {} H 0.0 {0.699802 0.46124 0.490093} H6 189 -1 1 {} H 0.0 {0.654191 0.458756 0.4883} H7 190 -1 1 {} H 0.0 {0.657597 0.464181 0.502706} H8 191 -1 1 {} H 0.0 {0.693106 0.434631 0.553851} H9 192 -1 1 {} H 0.0 {0.695127 0.441227 0.538599} H10 193 -1 1 {} H 0.0 {0.715365 0.409386 0.558942} H11 194 -1 1 {} H 0.0 {0.711019 0.398471 0.549172} H12 195 -1 1 {} H 0.0 {0.384093 0.342064 0.619689} H13 196 -1 1 {} H 0.0 {0.383469 0.334748 0.604826} H14 197 -1 1 {} H 0.0 {0.733351 0.434456 0.488475} H15 198 -1 1 {} H 0.0 {0.733136 0.472201 0.45248} H16 199 -1 1 {} H 0.0 {0.715754 0.477192 0.457942} H17 200 -1 1 {} H 0.0 {0.719899 0.463569 0.449089} H18 201 -1 1 {} H 0.0 {0.724919 0.471839 0.478536} H19 202 -1 1 {} H 0.0 {0.743245 0.409142 0.526908} H20 203 -1 1 {} H 0.0 {0.746847 0.413952 0.511889} H21 204 -1 1 {} H 0.0 {0.712298 0.416606 0.50472} H22 205 -1 14 {} Si 0.0 {0.39549 0.664395 0.352478} Si1 206 -1 8 {} O 0.0 {0.390992 0.657618 0.339224} O1 207 -1 14 {} Si 0.0 {0.381066 0.647954 0.331609} Si2 208 -1 8 {} O 0.0 {0.409084 0.656124 0.353646} O2 209 -1 14 {} Si 0.0 {0.408122 0.643943 0.362949} Si3 210 -1 7 {} N 0.0 {0.402618 0.582735 0.333438} N1 211 -1 14 {} Si 0.0 {0.388392 0.575485 0.330642} Si4 212 -1 14 {} Si 0.0 {0.415943 0.574694 0.336389} Si5 213 -1 7 {} N 0.0 {0.386783 0.558369 0.341018} N2 214 -1 7 {} N 0.0 {0.38417 0.57163 0.31149} N3 215 -1 7 {} N 0.0 {0.37497 0.588667 0.335495} N4 216 -1 7 {} N 0.0 {0.419359 0.575084 0.355448} N5 217 -1 7 {} N 0.0 {0.401817 0.551411 0.371878} N6 218 -1 7 {} N 0.0 {0.430165 0.581959 0.326318} N7 219 -1 8 {} O 0.0 {0.470852 0.636253 0.383287} O3 220 -1 6 {} C 0.0 {0.364184 0.688685 0.568196} C1 221 -1 8 {} O 0.0 {0.397445 0.648841 0.382048} O4 222 -1 7 {} N 0.0 {0.38946 0.590399 0.372762} N8 223 -1 8 {} O 0.0 {0.387269 0.689562 0.413065} O5 224 -1 1 {} H 0.0 {0.411681 0.65277 0.333825} H1 225 -1 1 {} H 0.0 {0.372607 0.656329 0.323717} H2 226 -1 1 {} H 0.0 {0.389554 0.5511 0.333846} H3 227 -1 1 {} H 0.0 {0.39395 0.559227 0.34816} H4 228 -1 1 {} H 0.0 {0.3769 0.578402 0.310455} H5 229 -1 1 {} H 0.0 {0.392197 0.577256 0.307257} H6 230 -1 1 {} H 0.0 {0.37173 0.583585 0.343684} H7 231 -1 1 {} H 0.0 {0.37992 0.597262 0.339025} H8 232 -1 1 {} H 0.0 {0.410788 0.580131 0.357078} H9 233 -1 1 {} H 0.0 {0.426335 0.582935 0.353758} H10 234 -1 1 {} H 0.0 {0.398548 0.547094 0.362695} H11 235 -1 1 {} H 0.0 {0.394857 0.558968 0.37465} H12 236 -1 1 {} H 0.0 {0.426721 0.580319 0.316743} H13 237 -1 1 {} H 0.0 {0.428104 0.591422 0.328755} H14 238 -1 1 {} H 0.0 {0.474059 0.637391 0.392394} H15 239 -1 1 {} H 0.0 {0.669197 0.629837 0.433036} H16 240 -1 1 {} H 0.0 {0.360614 0.686013 0.577809} H17 241 -1 1 {} H 0.0 {0.37416 0.690854 0.567451} H18 242 -1 1 {} H 0.0 {0.396643 0.64007 0.386296} H19 243 -1 1 {} H 0.0 {0.3987 0.586794 0.370372} H20 244 -1 1 {} H 0.0 {0.382591 0.583964 0.368071} H21 245 -1 1 {} H 0.0 {0.585467 0.659843 0.682006} H22 246 -1 14 {} Si 0.0 {0.486295 0.650008 0.547087} Si1 247 -1 8 {} O 0.0 {0.478973 0.636818 0.552239} O1 248 -1 14 {} Si 0.0 {0.467876 0.621244 0.584352} Si2 249 -1 8 {} O 0.0 {0.458863 0.633758 0.589992} O2 250 -1 14 {} Si 0.0 {0.45359 0.648361 0.591253} Si3 251 -1 7 {} N 0.0 {0.432612 0.647027 0.592681} N1 252 -1 14 {} Si 0.0 {0.434238 0.636773 0.604701} Si4 253 -1 14 {} Si 0.0 {0.41926 0.656093 0.591097} Si5 254 -1 7 {} N 0.0 {0.417673 0.569169 0.570978} N2 255 -1 7 {} N 0.0 {0.432209 0.616815 0.603102} N3 256 -1 7 {} N 0.0 {0.435335 0.642664 0.62339} N4 257 -1 7 {} N 0.0 {0.422742 0.673122 0.583536} N5 258 -1 7 {} N 0.0 {0.408957 0.649752 0.576043} N6 259 -1 7 {} N 0.0 {0.406969 0.660209 0.60529} N7 260 -1 8 {} O 0.0 {0.500393 0.642999 0.546235} O3 261 -1 6 {} C 0.0 {0.48485 0.666847 0.554546} C1 262 -1 8 {} O 0.0 {0.483087 0.650351 0.530555} O4 263 -1 7 {} N 0.0 {0.454601 0.664304 0.579281} N8 264 -1 8 {} O 0.0 {0.460296 0.651129 0.605807} O5 265 -1 1 {} H 0.0 {0.484382 0.622647 0.588798} H1 266 -1 1 {} H 0.0 {0.469297 0.622456 0.570003} H2 267 -1 1 {} H 0.0 {0.413417 0.578592 0.570304} H3 268 -1 1 {} H 0.0 {0.41345 0.563169 0.563571} H4 269 -1 1 {} H 0.0 {0.425657 0.616069 0.595265} H5 270 -1 1 {} H 0.0 {0.440876 0.612961 0.599981} H6 271 -1 1 {} H 0.0 {0.44268 0.63674 0.626562} H7 272 -1 1 {} H 0.0 {0.426719 0.638444 0.62712} H8 273 -1 1 {} H 0.0 {0.430403 0.675377 0.590076} H9 274 -1 1 {} H 0.0 {0.426947 0.670494 0.574435} H10 275 -1 1 {} H 0.0 {0.415145 0.64169 0.575112} H11 276 -1 1 {} H 0.0 {0.411852 0.656059 0.568457} H12 277 -1 1 {} H 0.0 {0.412575 0.658781 0.613123} H13 278 -1 1 {} H 0.0 {0.406427 0.669852 0.603563} H14 279 -1 1 {} H 0.0 {0.50025 0.633147 0.543994} H15 280 -1 1 {} H 0.0 {0.474298 0.669152 0.553657} H16 281 -1 1 {} H 0.0 {0.491062 0.673502 0.547501} H17 282 -1 1 {} H 0.0 {0.489123 0.666804 0.564203} H18 283 -1 1 {} H 0.0 {0.491954 0.650893 0.526606} H19 284 -1 1 {} H 0.0 {0.458714 0.660686 0.570964} H20 285 -1 1 {} H 0.0 {0.461692 0.669858 0.583434} H21 286 -1 1 {} H 0.0 {0.453065 0.651972 0.612709} H22 287 -1 14 {} Si 0.0 {0.27817 0.406376 0.511057} Si1 288 -1 8 {} O 0.0 {0.282608 0.399159 0.497986} O1 289 -1 14 {} Si 0.0 {0.289636 0.38749 0.490801} Si2 290 -1 8 {} O 0.0 {0.297035 0.380125 0.502642} O2 291 -1 14 {} Si 0.0 {0.306404 0.411145 0.52113} Si3 292 -1 7 {} N 0.0 {0.322118 0.427467 0.513616} N1 293 -1 14 {} Si 0.0 {0.362573 0.307374 0.39309} Si4 294 -1 14 {} Si 0.0 {0.336859 0.431794 0.508843} Si5 295 -1 7 {} N 0.0 {0.715655 0.598506 0.493985} N2 296 -1 7 {} N 0.0 {0.358851 0.306643 0.374575} N3 297 -1 7 {} N 0.0 {0.406358 0.360266 0.681099} N4 298 -1 7 {} N 0.0 {0.318915 0.458598 0.51988} N5 299 -1 7 {} N 0.0 {0.336063 0.441676 0.49608} N6 300 -1 7 {} N 0.0 {0.376035 0.494161 0.445296} N7 301 -1 8 {} O 0.0 {0.628043 0.468879 0.631526} O3 302 -1 6 {} C 0.0 {0.615712 0.443563 0.617918} C1 303 -1 8 {} O 0.0 {0.276041 0.395766 0.522} O4 304 -1 7 {} N 0.0 {0.359461 0.381147 0.537785} N8 305 -1 8 {} O 0.0 {0.291727 0.412591 0.514868} O5 306 -1 1 {} H 0.0 {0.325546 0.41628 0.492783} H1 307 -1 1 {} H 0.0 {0.280571 0.37792 0.486254} H2 308 -1 1 {} H 0.0 {0.706274 0.598665 0.498725} H3 309 -1 1 {} H 0.0 {0.71358 0.592827 0.485634} H4 310 -1 1 {} H 0.0 {0.366249 0.311659 0.370993} H5 311 -1 1 {} H 0.0 {0.35934 0.296951 0.372266} H6 312 -1 1 {} H 0.0 {0.409535 0.351784 0.685106} H7 313 -1 1 {} H 0.0 {0.41373 0.363418 0.674831} H8 314 -1 1 {} H 0.0 {0.316637 0.450625 0.513468} H9 315 -1 1 {} H 0.0 {0.327961 0.462728 0.518304} H10 316 -1 1 {} H 0.0 {0.296892 0.349422 0.506929} H11 317 -1 1 {} H 0.0 {0.380075 0.42294 0.408431} H12 318 -1 1 {} H 0.0 {0.378532 0.492788 0.45482} H13 319 -1 1 {} H 0.0 {0.380906 0.502909 0.442501} H14 320 -1 1 {} H 0.0 {0.635489 0.47846 0.633356} H15 321 -1 1 {} H 0.0 {0.61618 0.445096 0.62806} H16 322 -1 1 {} H 0.0 {0.621835 0.451006 0.613564} H17 323 -1 1 {} H 0.0 {0.717872 0.608082 0.490821} H18 324 -1 1 {} H 0.0 {0.282328 0.388332 0.520656} H19 325 -1 1 {} H 0.0 {0.36798 0.375022 0.53734} H20 326 -1 1 {} H 0.0 {0.351967 0.374415 0.537315} H21 327 -1 1 {} H 0.0 {0.283332 0.395855 0.540661} H22 328 -1 14 {} Si 0.0 {0.424071 0.343112 0.418751} Si1 329 -1 8 {} O 0.0 {0.437904 0.345144 0.411281} O1 330 -1 14 {} Si 0.0 {0.450887 0.351929 0.406297} Si2 331 -1 8 {} O 0.0 {0.463727 0.341953 0.406458} O2 332 -1 14 {} Si 0.0 {0.470593 0.328224 0.411242} Si3 333 -1 7 {} N 0.0 {0.457097 0.313249 0.412945} N1 334 -1 14 {} Si 0.0 {0.452498 0.300106 0.422034} Si4 335 -1 14 {} Si 0.0 {0.454367 0.311168 0.397138} Si5 336 -1 7 {} N 0.0 {0.435585 0.294097 0.416898} N2 337 -1 7 {} N 0.0 {0.451567 0.306746 0.440511} N3 338 -1 7 {} N 0.0 {0.465732 0.285516 0.421228} N4 339 -1 7 {} N 0.0 {0.315606 0.329709 0.612468} N5 340 -1 7 {} N 0.0 {0.436692 0.314641 0.390621} N6 341 -1 7 {} N 0.0 {0.458814 0.292224 0.38897} N7 342 -1 8 {} O 0.0 {0.422817 0.327577 0.41656} O3 343 -1 6 {} C 0.0 {0.408714 0.353714 0.41462} C1 344 -1 8 {} O 0.0 {0.430828 0.34325 0.43415} O4 345 -1 7 {} N 0.0 {0.475752 0.328977 0.429727} N8 346 -1 8 {} O 0.0 {0.476523 0.325937 0.396262} O5 347 -1 1 {} H 0.0 {0.453195 0.364148 0.413792} H1 348 -1 1 {} H 0.0 {0.4481 0.356333 0.391108} H2 349 -1 1 {} H 0.0 {0.430561 0.302455 0.417845} H3 350 -1 1 {} H 0.0 {0.437336 0.293328 0.406765} H4 351 -1 1 {} H 0.0 {0.458114 0.29947 0.44411} H5 352 -1 1 {} H 0.0 {0.458356 0.314652 0.440107} H6 353 -1 1 {} H 0.0 {0.474988 0.288936 0.419052} H7 354 -1 1 {} H 0.0 {0.463371 0.282042 0.41176} H8 355 -1 1 {} H 0.0 {0.312322 0.3392 0.615346} H9 356 -1 1 {} H 0.0 {0.309053 0.32598 0.605448} H10 357 -1 1 {} H 0.0 {0.438941 0.321616 0.383568} H11 358 -1 1 {} H 0.0 {0.434116 0.320536 0.398851} H12 359 -1 1 {} H 0.0 {0.450259 0.2869 0.386585} H13 360 -1 1 {} H 0.0 {0.461175 0.297147 0.380137} H14 361 -1 1 {} H 0.0 {0.425138 0.323646 0.424916} H15 362 -1 1 {} H 0.0 {0.411221 0.36287 0.419731} H16 363 -1 1 {} H 0.0 {0.399844 0.348727 0.418251} H17 364 -1 1 {} H 0.0 {0.407924 0.354983 0.404012} H18 365 -1 1 {} H 0.0 {0.436781 0.350398 0.436153} H19 366 -1 1 {} H 0.0 {0.485427 0.333195 0.429156} H20 367 -1 1 {} H 0.0 {0.469704 0.335895 0.43392} H21 368 -1 1 {} H 0.0 {0.469171 0.320314 0.390282} H22 369 -1 14 {} Si 0.0 {0.497035 0.549289 0.673839} Si1 370 -1 8 {} O 0.0 {0.489721 0.557818 0.663488} O1 371 -1 14 {} Si 0.0 {0.490503 0.563568 0.649043} Si2 372 -1 8 {} O 0.0 {0.504181 0.559177 0.642856} O2 373 -1 14 {} Si 0.0 {0.512417 0.548049 0.636152} Si3 374 -1 7 {} N 0.0 {0.526568 0.554855 0.625114} N1 375 -1 14 {} Si 0.0 {0.537302 0.565501 0.632894} Si4 376 -1 14 {} Si 0.0 {0.534686 0.551904 0.611261} Si5 377 -1 7 {} N 0.0 {0.532896 0.566991 0.652013} N2 378 -1 7 {} N 0.0 {0.536183 0.58528 0.62748} N3 379 -1 7 {} N 0.0 {0.555485 0.558807 0.635251} N4 380 -1 7 {} N 0.0 {0.544669 0.536175 0.613073} N5 381 -1 7 {} N 0.0 {0.521539 0.550817 0.597033} N6 382 -1 7 {} N 0.0 {0.546166 0.566285 0.607292} N7 383 -1 8 {} O 0.0 {0.489947 0.534966 0.670424} O3 384 -1 6 {} C 0.0 {0.510098 0.55342 0.683885} C1 385 -1 8 {} O 0.0 {0.596354 0.425628 0.316896} O4 386 -1 7 {} N 0.0 {0.50515 0.535572 0.622828} N8 387 -1 8 {} O 0.0 {0.517829 0.542674 0.650466} O5 388 -1 1 {} H 0.0 {0.492071 0.606195 0.638324} H1 389 -1 1 {} H 0.0 {0.478354 0.555568 0.640631} H2 390 -1 1 {} H 0.0 {0.533999 0.576578 0.652269} H3 391 -1 1 {} H 0.0 {0.522528 0.565728 0.651604} H4 392 -1 1 {} H 0.0 {0.540556 0.585614 0.618695} H5 393 -1 1 {} H 0.0 {0.54103 0.592429 0.632924} H6 394 -1 1 {} H 0.0 {0.559254 0.566881 0.641072} H7 395 -1 1 {} H 0.0 {0.559161 0.559408 0.62579} H8 396 -1 1 {} H 0.0 {0.544741 0.534954 0.623503} H9 397 -1 1 {} H 0.0 {0.553926 0.540463 0.612176} H10 398 -1 1 {} H 0.0 {0.515448 0.558031 0.60004} H11 399 -1 1 {} H 0.0 {0.526989 0.555861 0.589527} H12 400 -1 1 {} H 0.0 {0.552046 0.561798 0.600017} H13 401 -1 1 {} H 0.0 {0.540311 0.572817 0.602062} H14 402 -1 1 {} H 0.0 {0.744721 0.441761 0.481134} H15 403 -1 1 {} H 0.0 {0.515629 0.560481 0.678648} H16 404 -1 1 {} H 0.0 {0.519453 0.540661 0.687334} H17 405 -1 1 {} H 0.0 {0.506772 0.556267 0.693163} H18 406 -1 1 {} H 0.0 {0.596233 0.417333 0.308678} H19 407 -1 1 {} H 0.0 {0.496132 0.539622 0.619432} H20 408 -1 1 {} H 0.0 {0.510785 0.538409 0.614727} H21 409 -1 1 {} H 0.0 {0.52649 0.546347 0.651883} H22 410 -1 14 {} Si 0.0 {0.390522 0.691148 0.452528} Si1 411 -1 8 {} O 0.0 {0.431536 0.346575 0.544055} O1 412 -1 14 {} Si 0.0 {0.44006 0.33812 0.554495} Si2 413 -1 8 {} O 0.0 {0.454617 0.34079 0.548755} O2 414 -1 14 {} Si 0.0 {0.427467 0.360716 0.536909} Si3 415 -1 7 {} N 0.0 {0.417323 0.357523 0.519842} N1 416 -1 14 {} Si 0.0 {0.409049 0.361471 0.502973} Si4 417 -1 14 {} Si 0.0 {0.40722 0.346883 0.525913} Si5 418 -1 7 {} N 0.0 {0.380734 0.665307 0.432706} N2 419 -1 7 {} N 0.0 {0.659832 0.623169 0.466285} N3 420 -1 7 {} N 0.0 {0.400526 0.374064 0.500687} N4 421 -1 7 {} N 0.0 {0.390751 0.353196 0.534202} N5 422 -1 7 {} N 0.0 {0.410308 0.348535 0.486851} N6 423 -1 7 {} N 0.0 {0.406658 0.330471 0.517722} N7 424 -1 8 {} O 0.0 {0.397296 0.702744 0.467563} O3 425 -1 6 {} C 0.0 {0.382971 0.705854 0.457768} C1 426 -1 8 {} O 0.0 {0.455423 0.482379 0.726311} O4 427 -1 7 {} N 0.0 {0.438823 0.374426 0.529502} N8 428 -1 8 {} O 0.0 {0.417295 0.365723 0.547606} O5 429 -1 1 {} H 0.0 {0.516798 0.480642 0.636291} H1 430 -1 1 {} H 0.0 {0.62769 0.283457 0.3585} H2 431 -1 1 {} H 0.0 {0.374818 0.658428 0.437845} H3 432 -1 1 {} H 0.0 {0.387338 0.660731 0.425678} H4 433 -1 1 {} H 0.0 {0.733258 0.599697 0.344634} H5 434 -1 1 {} H 0.0 {0.668817 0.624587 0.471612} H6 435 -1 1 {} H 0.0 {0.50212 0.466616 0.444663} H7 436 -1 1 {} H 0.0 {0.662613 0.622905 0.45684} H8 437 -1 1 {} H 0.0 {0.383852 0.352903 0.526731} H9 438 -1 1 {} H 0.0 {0.388492 0.345313 0.540774} H10 439 -1 1 {} H 0.0 {0.400817 0.343612 0.488313} H11 440 -1 1 {} H 0.0 {0.408047 0.35573 0.479554} H12 441 -1 1 {} H 0.0 {0.413571 0.331185 0.509893} H13 442 -1 1 {} H 0.0 {0.410888 0.324128 0.52445} H14 443 -1 1 {} H 0.0 {0.393477 0.698541 0.475451} H15 444 -1 1 {} H 0.0 {0.603071 0.276508 0.505577} H16 445 -1 1 {} H 0.0 {0.605105 0.277791 0.512883} H17 446 -1 1 {} H 0.0 {0.383539 0.715036 0.451985} H18 447 -1 1 {} H 0.0 {0.454797 0.475296 0.719047} H19 448 -1 1 {} H 0.0 {0.447476 0.370009 0.528106} H20 449 -1 1 {} H 0.0 {0.433802 0.374795 0.520309} H21 450 -1 1 {} H 0.0 {0.408642 0.361215 0.545954} H22 451 -1 14 {} Si 0.0 {0.680784 0.228956 0.507675} Si1 452 -1 8 {} O 0.0 {0.670972 0.229976 0.495073} O1 453 -1 14 {} Si 0.0 {0.662862 0.238723 0.484874} Si2 454 -1 8 {} O 0.0 {0.670115 0.253045 0.485231} O2 455 -1 14 {} Si 0.0 {0.683258 0.262556 0.484976} Si3 456 -1 7 {} N 0.0 {0.689089 0.269941 0.498614} N1 457 -1 14 {} Si 0.0 {0.553878 0.454238 0.737136} Si4 458 -1 14 {} Si 0.0 {0.393434 0.312092 0.399774} Si5 459 -1 7 {} N 0.0 {0.540429 0.440119 0.735946} N2 460 -1 7 {} N 0.0 {0.562304 0.509653 0.300893} N3 461 -1 7 {} N 0.0 {0.54168 0.468611 0.738311} N4 462 -1 7 {} N 0.0 {0.624405 0.656432 0.441984} N5 463 -1 7 {} N 0.0 {0.405445 0.305129 0.387332} N6 464 -1 7 {} N 0.0 {0.393932 0.328871 0.400697} N7 465 -1 8 {} O 0.0 {0.694372 0.228394 0.50052} O3 466 -1 6 {} C 0.0 {0.676848 0.21794 0.52353} C1 467 -1 8 {} O 0.0 {0.678634 0.243294 0.514219} O4 468 -1 7 {} N 0.0 {0.677642 0.278459 0.4742} N8 469 -1 8 {} O 0.0 {0.692161 0.250964 0.478945} O5 470 -1 1 {} H 0.0 {0.650578 0.240801 0.490611} H1 471 -1 1 {} H 0.0 {0.627601 0.654067 0.451255} H2 472 -1 1 {} H 0.0 {0.546866 0.433836 0.73089} H3 473 -1 1 {} H 0.0 {0.535372 0.44304 0.727638} H4 474 -1 1 {} H 0.0 {0.678437 0.471829 0.518835} H5 475 -1 1 {} H 0.0 {0.380795 0.620405 0.239427} H6 476 -1 1 {} H 0.0 {0.533614 0.466175 0.743915} H7 477 -1 1 {} H 0.0 {0.537857 0.471533 0.729481} H8 478 -1 1 {} H 0.0 {0.630658 0.65054 0.435409} H9 479 -1 1 {} H 0.0 {0.474965 0.253813 0.786047} H10 480 -1 1 {} H 0.0 {0.414179 0.309438 0.390853} H11 481 -1 1 {} H 0.0 {0.406894 0.295203 0.389925} H12 482 -1 1 {} H 0.0 {0.470417 0.258616 0.782293} H13 483 -1 1 {} H 0.0 {0.684021 0.332305 0.56602} H14 484 -1 1 {} H 0.0 {0.694511 0.234557 0.492552} H15 485 -1 1 {} H 0.0 {0.666539 0.218796 0.526544} H16 486 -1 1 {} H 0.0 {0.682677 0.219954 0.531964} H17 487 -1 1 {} H 0.0 {0.677947 0.208416 0.519209} H18 488 -1 1 {} H 0.0 {0.678199 0.249902 0.507092} H19 489 -1 1 {} H 0.0 {0.673133 0.283529 0.481137} H20 490 -1 1 {} H 0.0 {0.670749 0.273701 0.468331} H21 491 -1 1 {} H 0.0 {0.691736 0.251298 0.46901} H22 492 -1 14 {} Si 0.0 {0.424094 0.576294 0.418403} Si1 493 -1 8 {} O 0.0 {0.431594 0.588779 0.425732} O1 494 -1 14 {} Si 0.0 {0.432868 0.602534 0.433127} Si2 495 -1 8 {} O 0.0 {0.419316 0.59802 0.441732} O2 496 -1 14 {} Si 0.0 {0.413065 0.590536 0.454902} Si3 497 -1 7 {} N 0.0 {0.416234 0.595714 0.470299} N1 498 -1 14 {} Si 0.0 {0.41815 0.592266 0.489708} Si4 499 -1 14 {} Si 0.0 {0.426066 0.60835 0.472087} Si5 500 -1 7 {} N 0.0 {0.412421 0.573486 0.491097} N2 501 -1 7 {} N 0.0 {0.407445 0.60111 0.499395} N3 502 -1 7 {} N 0.0 {0.436132 0.593309 0.498435} N4 503 -1 7 {} N 0.0 {0.379289 0.614333 0.417259} N5 504 -1 7 {} N 0.0 {0.444293 0.605757 0.467553} N6 505 -1 7 {} N 0.0 {0.417655 0.62559 0.473434} N7 506 -1 8 {} O 0.0 {0.424199 0.582879 0.403701} O3 507 -1 6 {} C 0.0 {0.429052 0.55952 0.422965} C1 508 -1 8 {} O 0.0 {0.452215 0.496863 0.449166} O4 509 -1 7 {} N 0.0 {0.41065 0.57171 0.455823} N8 510 -1 8 {} O 0.0 {0.39455 0.599765 0.448275} O5 511 -1 1 {} H 0.0 {0.447373 0.598362 0.362292} H1 512 -1 1 {} H 0.0 {0.443646 0.599626 0.443796} H2 513 -1 1 {} H 0.0 {0.404058 0.573445 0.497677} H3 514 -1 1 {} H 0.0 {0.42061 0.570958 0.495949} H4 515 -1 1 {} H 0.0 {0.412465 0.604059 0.507953} H5 516 -1 1 {} H 0.0 {0.327829 0.252082 0.463097} H6 517 -1 1 {} H 0.0 {0.438922 0.60309 0.498375} H7 518 -1 1 {} H 0.0 {0.442167 0.588735 0.490946} H8 519 -1 1 {} H 0.0 {0.381798 0.605973 0.422309} H9 520 -1 1 {} H 0.0 {0.374872 0.620919 0.424242} H10 521 -1 1 {} H 0.0 {0.448282 0.607007 0.476862} H11 522 -1 1 {} H 0.0 {0.443225 0.595791 0.465203} H12 523 -1 1 {} H 0.0 {0.419056 0.629275 0.48284} H13 524 -1 1 {} H 0.0 {0.424282 0.631495 0.468284} H14 525 -1 1 {} H 0.0 {0.420066 0.592014 0.403426} H15 526 -1 1 {} H 0.0 {0.4554 0.551596 0.408425} H16 527 -1 1 {} H 0.0 {0.42039 0.553972 0.425208} H17 528 -1 1 {} H 0.0 {0.435721 0.560159 0.431101} H18 529 -1 1 {} H 0.0 {0.452631 0.506238 0.446137} H19 530 -1 1 {} H 0.0 {0.414425 0.568579 0.464807} H20 531 -1 1 {} H 0.0 {0.401152 0.570043 0.45798} H21 532 -1 1 {} H 0.0 {0.397309 0.607289 0.441498} H22 533 -1 14 {} Si 0.0 {0.615401 0.318722 0.552591} Si1 534 -1 8 {} O 0.0 {0.622061 0.325748 0.540665} O1 535 -1 14 {} Si 0.0 {0.621524 0.33684 0.529446} Si2 536 -1 8 {} O 0.0 {0.606378 0.341561 0.532379} O2 537 -1 14 {} Si 0.0 {0.599663 0.354726 0.537764} Si3 538 -1 7 {} N 0.0 {0.608453 0.371238 0.531324} N1 539 -1 14 {} Si 0.0 {0.601337 0.386123 0.529768} Si4 540 -1 14 {} Si 0.0 {0.623916 0.37127 0.526522} Si5 541 -1 7 {} N 0.0 {0.582746 0.382067 0.526707} N2 542 -1 7 {} N 0.0 {0.611176 0.397225 0.516949} N3 543 -1 7 {} N 0.0 {0.600838 0.396633 0.545703} N4 544 -1 7 {} N 0.0 {0.632854 0.352554 0.531838} N5 545 -1 7 {} N 0.0 {0.627662 0.372687 0.507863} N6 546 -1 7 {} N 0.0 {0.637186 0.383134 0.53691} N7 547 -1 8 {} O 0.0 {0.603041 0.314877 0.507047} O3 548 -1 6 {} C 0.0 {0.599376 0.309617 0.551473} C1 549 -1 8 {} O 0.0 {0.630353 0.311952 0.557458} O4 550 -1 7 {} N 0.0 {0.594142 0.358293 0.55592} N8 551 -1 8 {} O 0.0 {0.586244 0.350967 0.529371} O5 552 -1 1 {} H 0.0 {0.609738 0.30774 0.505068} H1 553 -1 1 {} H 0.0 {0.6691 0.356172 0.559362} H2 554 -1 1 {} H 0.0 {0.582365 0.374562 0.533166} H3 555 -1 1 {} H 0.0 {0.581933 0.377502 0.518139} H4 556 -1 1 {} H 0.0 {0.620128 0.396023 0.521067} H5 557 -1 1 {} H 0.0 {0.610145 0.390637 0.509714} H6 558 -1 1 {} H 0.0 {0.608022 0.391273 0.550933} H7 559 -1 1 {} H 0.0 {0.592475 0.392353 0.54939} H8 560 -1 1 {} H 0.0 {0.6402 0.351473 0.524537} H9 561 -1 1 {} H 0.0 {0.638214 0.351251 0.540917} H10 562 -1 1 {} H 0.0 {0.634184 0.380111 0.508611} H11 563 -1 1 {} H 0.0 {0.632978 0.364998 0.50432} H12 564 -1 1 {} H 0.0 {0.630963 0.386662 0.544701} H13 565 -1 1 {} H 0.0 {0.638177 0.391278 0.530869} H14 566 -1 1 {} H 0.0 {0.582382 0.330432 0.530726} H15 567 -1 1 {} H 0.0 {0.599971 0.299596 0.546494} H16 568 -1 1 {} H 0.0 {0.593092 0.317576 0.546756} H17 569 -1 1 {} H 0.0 {0.594856 0.307814 0.560735} H18 570 -1 1 {} H 0.0 {0.605574 0.30482 0.526343} H19 571 -1 1 {} H 0.0 {0.596323 0.349844 0.561429} H20 572 -1 1 {} H 0.0 {0.600538 0.365679 0.558876} H21 573 -1 1 {} H 0.0 {0.586875 0.356235 0.52104} H22 574 -1 14 {} Si 0.0 {0.515852 0.38797 0.683562} Si1 575 -1 8 {} O 0.0 {0.609141 0.694995 0.599768} O1 576 -1 14 {} Si 0.0 {0.603589 0.707535 0.59277} Si2 577 -1 8 {} O 0.0 {0.391408 0.354573 0.670146} O2 578 -1 14 {} Si 0.0 {0.589959 0.714986 0.614414} Si3 579 -1 7 {} N 0.0 {0.596605 0.652346 0.637455} N1 580 -1 14 {} Si 0.0 {0.607968 0.653333 0.626654} Si4 581 -1 14 {} Si 0.0 {0.588801 0.662661 0.646713} Si5 582 -1 7 {} N 0.0 {0.60491 0.669566 0.614205} N2 583 -1 7 {} N 0.0 {0.61003 0.638475 0.613526} N3 584 -1 7 {} N 0.0 {0.624698 0.654402 0.635926} N4 585 -1 7 {} N 0.0 {0.585924 0.680484 0.641373} N5 586 -1 7 {} N 0.0 {0.571751 0.654435 0.650169} N6 587 -1 7 {} N 0.0 {0.595718 0.664616 0.664019} N7 588 -1 8 {} O 0.0 {0.529647 0.395734 0.683658} O3 589 -1 6 {} C 0.0 {0.492585 0.417595 0.762529} C1 590 -1 8 {} O 0.0 {0.538171 0.446047 0.657511} O4 591 -1 7 {} N 0.0 {0.564393 0.721185 0.586411} N8 592 -1 8 {} O 0.0 {0.584562 0.655364 0.572513} O5 593 -1 1 {} H 0.0 {0.598194 0.70128 0.575994} H1 594 -1 1 {} H 0.0 {0.469494 0.422124 0.731343} H2 595 -1 1 {} H 0.0 {0.594898 0.670774 0.614869} H3 596 -1 1 {} H 0.0 {0.606086 0.664524 0.605085} H4 597 -1 1 {} H 0.0 {0.60149 0.641987 0.608289} H5 598 -1 1 {} H 0.0 {0.607126 0.631071 0.619917} H6 599 -1 1 {} H 0.0 {0.629442 0.647185 0.630798} H7 600 -1 1 {} H 0.0 {0.623619 0.649921 0.645275} H8 601 -1 1 {} H 0.0 {0.594328 0.683088 0.636819} H9 602 -1 1 {} H 0.0 {0.578572 0.679874 0.634145} H10 603 -1 1 {} H 0.0 {0.575527 0.648911 0.657751} H11 604 -1 1 {} H 0.0 {0.57144 0.64882 0.642109} H12 605 -1 1 {} H 0.0 {0.593459 0.67465 0.665049} H13 606 -1 1 {} H 0.0 {0.60538 0.663733 0.661572} H14 607 -1 1 {} H 0.0 {0.548376 0.695699 0.579137} H15 608 -1 1 {} H 0.0 {0.493354 0.415529 0.772814} H16 609 -1 1 {} H 0.0 {0.67085 0.644067 0.443057} H17 610 -1 1 {} H 0.0 {0.496373 0.410206 0.756611} H18 611 -1 1 {} H 0.0 {0.544753 0.44062 0.663149} H19 612 -1 1 {} H 0.0 {0.531714 0.381298 0.717642} H20 613 -1 1 {} H 0.0 {0.542061 0.681925 0.627118} H21 614 -1 1 {} H 0.0 {0.591485 0.653028 0.567353} H22 615 -1 14 {} Si 0.0 {0.681619 0.539796 0.297928} Si1 616 -1 8 {} O 0.0 {0.667832 0.542562 0.304777} O1 617 -1 14 {} Si 0.0 {0.648828 0.536297 0.329364} Si2 618 -1 8 {} O 0.0 {0.645503 0.550335 0.33515} O2 619 -1 14 {} Si 0.0 {0.65103 0.561194 0.344939} Si3 620 -1 7 {} N 0.0 {0.640858 0.57557 0.353616} N1 621 -1 14 {} Si 0.0 {0.63974 0.590419 0.347147} Si4 622 -1 14 {} Si 0.0 {0.634777 0.57404 0.368969} Si5 623 -1 7 {} N 0.0 {0.654773 0.601392 0.352136} N2 624 -1 7 {} N 0.0 {0.626241 0.601234 0.352759} N3 625 -1 7 {} N 0.0 {0.636361 0.588748 0.328087} N4 626 -1 7 {} N 0.0 {0.638244 0.590303 0.379186} N5 627 -1 7 {} N 0.0 {0.616174 0.571593 0.372779} N6 628 -1 7 {} N 0.0 {0.642706 0.559497 0.380644} N7 629 -1 8 {} O 0.0 {0.684905 0.524996 0.305524} O3 630 -1 6 {} C 0.0 {0.691343 0.550511 0.290084} C1 631 -1 8 {} O 0.0 {0.676749 0.531992 0.33601} O4 632 -1 7 {} N 0.0 {0.666184 0.571442 0.338571} N8 633 -1 8 {} O 0.0 {0.657754 0.551573 0.355508} O5 634 -1 1 {} H 0.0 {0.665071 0.533385 0.33336} H1 635 -1 1 {} H 0.0 {0.642594 0.526936 0.339854} H2 636 -1 1 {} H 0.0 {0.655743 0.597721 0.361924} H3 637 -1 1 {} H 0.0 {0.649055 0.609565 0.352387} H4 638 -1 1 {} H 0.0 {0.622058 0.594165 0.358838} H5 639 -1 1 {} H 0.0 {0.618879 0.605248 0.348054} H6 640 -1 1 {} H 0.0 {0.628229 0.582254 0.328408} H7 641 -1 1 {} H 0.0 {0.643481 0.58136 0.327504} H8 642 -1 1 {} H 0.0 {0.629688 0.593785 0.383888} H9 643 -1 1 {} H 0.0 {0.641112 0.596994 0.372289} H10 644 -1 1 {} H 0.0 {0.612611 0.566169 0.364708} H11 645 -1 1 {} H 0.0 {0.61644 0.56529 0.380539} H12 646 -1 1 {} H 0.0 {0.649231 0.554083 0.374625} H13 647 -1 1 {} H 0.0 {0.649696 0.564582 0.386369} H14 648 -1 1 {} H 0.0 {0.476517 0.658311 0.511864} H15 649 -1 1 {} H 0.0 {0.691323 0.550681 0.279682} H16 650 -1 1 {} H 0.0 {0.696894 0.557642 0.295631} H17 651 -1 1 {} H 0.0 {0.660938 0.494487 0.306152} H18 652 -1 1 {} H 0.0 {0.678704 0.539525 0.341892} H19 653 -1 1 {} H 0.0 {0.670245 0.573667 0.3478} H20 654 -1 1 {} H 0.0 {0.662329 0.58031 0.336187} H21 655 -1 1 {} H 0.0 {0.668141 0.551927 0.354614} H22 656 -1 14 {} Si 0.0 {0.453396 0.452101 0.747339} Si1 657 -1 8 {} O 0.0 {0.624851 0.301854 0.464675} O1 658 -1 14 {} Si 0.0 {0.609341 0.304505 0.46409} Si2 659 -1 8 {} O 0.0 {0.600995 0.292077 0.461913} O2 660 -1 14 {} Si 0.0 {0.608968 0.279257 0.448232} Si3 661 -1 7 {} N 0.0 {0.602371 0.280734 0.432988} N1 662 -1 14 {} Si 0.0 {0.587042 0.276727 0.436921} Si4 663 -1 14 {} Si 0.0 {0.610267 0.286086 0.415209} Si5 664 -1 7 {} N 0.0 {0.576937 0.286823 0.425216} N2 665 -1 7 {} N 0.0 {0.577669 0.279118 0.453416} N3 666 -1 7 {} N 0.0 {0.582989 0.258561 0.429955} N4 667 -1 7 {} N 0.0 {0.604233 0.276639 0.403923} N5 668 -1 7 {} N 0.0 {0.598805 0.58016 0.695727} N6 669 -1 7 {} N 0.0 {0.544801 0.285291 0.420307} N7 670 -1 8 {} O 0.0 {0.44516 0.46581 0.745567} O3 671 -1 6 {} C 0.0 {0.454169 0.439092 0.758929} C1 672 -1 8 {} O 0.0 {0.465456 0.453877 0.732127} O4 673 -1 7 {} N 0.0 {0.607202 0.260075 0.454983} N8 674 -1 8 {} O 0.0 {0.625561 0.288452 0.417357} O5 675 -1 1 {} H 0.0 {0.607537 0.314835 0.449958} H1 676 -1 1 {} H 0.0 {0.603718 0.314106 0.476882} H2 677 -1 1 {} H 0.0 {0.584013 0.291317 0.419322} H3 678 -1 1 {} H 0.0 {0.57318 0.293366 0.431781} H4 679 -1 1 {} H 0.0 {0.582605 0.273224 0.459686} H5 680 -1 1 {} H 0.0 {0.581471 0.288146 0.455523} H6 681 -1 1 {} H 0.0 {0.586458 0.261792 0.421322} H7 682 -1 1 {} H 0.0 {0.573392 0.260565 0.429791} H8 683 -1 1 {} H 0.0 {0.607043 0.266929 0.403529} H9 684 -1 1 {} H 0.0 {0.26127 0.417839 0.497293} H10 685 -1 1 {} H 0.0 {0.588468 0.580145 0.693486} H11 686 -1 1 {} H 0.0 {0.601964 0.589082 0.691246} H12 687 -1 1 {} H 0.0 {0.542491 0.288917 0.411163} H13 688 -1 1 {} H 0.0 {0.554733 0.288477 0.420624} H14 689 -1 1 {} H 0.0 {0.448137 0.471523 0.737923} H15 690 -1 1 {} H 0.0 {0.454501 0.443198 0.768293} H16 691 -1 1 {} H 0.0 {0.445748 0.432835 0.75872} H17 692 -1 1 {} H 0.0 {0.455034 0.458039 0.694967} H18 693 -1 1 {} H 0.0 {0.466297 0.463514 0.730348} H19 694 -1 1 {} H 0.0 {0.600243 0.263122 0.462029} H20 695 -1 1 {} H 0.0 {0.601787 0.255922 0.447157} H21 696 -1 1 {} H 0.0 {0.626927 0.293634 0.459259} H22 697 -1 14 {} Si 0.0 {0.541713 0.3451 0.626262} Si1 698 -1 8 {} O 0.0 {0.535486 0.352917 0.614427} O1 699 -1 14 {} Si 0.0 {0.621894 0.707482 0.504178} Si2 700 -1 8 {} O 0.0 {0.632248 0.701295 0.514656} O2 701 -1 14 {} Si 0.0 {0.62158 0.6865 0.490785} Si3 702 -1 7 {} N 0.0 {0.637699 0.681888 0.493246} N1 703 -1 14 {} Si 0.0 {0.652252 0.673328 0.48349} Si4 704 -1 14 {} Si 0.0 {0.639516 0.668883 0.504793} Si5 705 -1 7 {} N 0.0 {0.648917 0.665755 0.46602} N2 706 -1 7 {} N 0.0 {0.539104 0.324607 0.622954} N3 707 -1 7 {} N 0.0 {0.667031 0.681269 0.484358} N4 708 -1 7 {} N 0.0 {0.646133 0.674539 0.521657} N5 709 -1 7 {} N 0.0 {0.626208 0.655129 0.50774} N6 710 -1 7 {} N 0.0 {0.65367 0.656731 0.49503} N7 711 -1 8 {} O 0.0 {0.578334 0.321184 0.530136} O3 712 -1 6 {} C 0.0 {0.536591 0.346504 0.644307} C1 713 -1 8 {} O 0.0 {0.512031 0.336939 0.620001} O4 714 -1 7 {} N 0.0 {0.619431 0.688265 0.471445} N8 715 -1 8 {} O 0.0 {0.609959 0.680835 0.500668} O5 716 -1 1 {} H 0.0 {0.634908 0.692328 0.511923} H1 717 -1 1 {} H 0.0 {0.607932 0.710087 0.513121} H2 718 -1 1 {} H 0.0 {0.654271 0.656829 0.467385} H3 719 -1 1 {} H 0.0 {0.656543 0.671222 0.461645} H4 720 -1 1 {} H 0.0 {0.546563 0.323668 0.616505} H5 721 -1 1 {} H 0.0 {0.542152 0.319534 0.631065} H6 722 -1 1 {} H 0.0 {0.664735 0.690918 0.48499} H7 723 -1 1 {} H 0.0 {0.570074 0.323217 0.524469} H8 724 -1 1 {} H 0.0 {0.656061 0.675906 0.519102} H9 725 -1 1 {} H 0.0 {0.646323 0.665705 0.526806} H10 726 -1 1 {} H 0.0 {0.623022 0.653678 0.517026} H11 727 -1 1 {} H 0.0 {0.631344 0.646774 0.506064} H12 728 -1 1 {} H 0.0 {0.649096 0.650382 0.488536} H13 729 -1 1 {} H 0.0 {0.66427 0.655784 0.493513} H14 730 -1 1 {} H 0.0 {0.547912 0.303076 0.584418} H15 731 -1 1 {} H 0.0 {0.544734 0.350601 0.649737} H16 732 -1 1 {} H 0.0 {0.535104 0.336687 0.648405} H17 733 -1 1 {} H 0.0 {0.529058 0.353756 0.645679} H18 734 -1 1 {} H 0.0 {0.505061 0.332803 0.615891} H19 735 -1 1 {} H 0.0 {0.627901 0.682612 0.470543} H20 736 -1 1 {} H 0.0 {0.611612 0.682468 0.469474} H21 737 -1 1 {} H 0.0 {0.611114 0.671835 0.501649} H22 738 -1 14 {} Si 0.0 {0.621017 0.3234 0.434723} Si1 739 -1 8 {} O 0.0 {0.606869 0.322129 0.44278} O1 740 -1 14 {} Si 0.0 {0.563749 0.380194 0.443502} Si2 741 -1 8 {} O 0.0 {0.593453 0.300455 0.491338} O2 742 -1 14 {} Si 0.0 {0.592599 0.315909 0.495257} Si3 743 -1 7 {} N 0.0 {0.579629 0.357089 0.500892} N1 744 -1 14 {} Si 0.0 {0.569563 0.363105 0.490553} Si4 745 -1 14 {} Si 0.0 {0.548304 0.358565 0.545418} Si5 746 -1 7 {} N 0.0 {0.561147 0.380263 0.498121} N2 747 -1 7 {} N 0.0 {0.556685 0.349214 0.486043} N3 748 -1 7 {} N 0.0 {0.578049 0.372898 0.474801} N4 749 -1 7 {} N 0.0 {0.478684 0.327791 0.667586} N5 750 -1 7 {} N 0.0 {0.535676 0.367845 0.547454} N6 751 -1 7 {} N 0.0 {0.267086 0.42348 0.503927} N7 752 -1 8 {} O 0.0 {0.61528 0.333731 0.423837} O3 753 -1 6 {} C 0.0 {0.632846 0.311396 0.431945} C1 754 -1 8 {} O 0.0 {0.626368 0.33963 0.448026} O4 755 -1 7 {} N 0.0 {0.620738 0.344088 0.481026} N8 756 -1 8 {} O 0.0 {0.601478 0.321585 0.483769} O5 757 -1 1 {} H 0.0 {0.602772 0.343756 0.433362} H1 758 -1 1 {} H 0.0 {0.614893 0.255768 0.429566} H2 759 -1 1 {} H 0.0 {0.56565 0.381337 0.507219} H3 760 -1 1 {} H 0.0 {0.563576 0.388567 0.493075} H4 761 -1 1 {} H 0.0 {0.557082 0.343185 0.493693} H5 762 -1 1 {} H 0.0 {0.546924 0.353324 0.4867} H6 763 -1 1 {} H 0.0 {0.587531 0.370637 0.477557} H7 764 -1 1 {} H 0.0 {0.576421 0.382505 0.477817} H8 765 -1 1 {} H 0.0 {0.486348 0.321001 0.666572} H9 766 -1 1 {} H 0.0 {0.513665 0.385909 0.498545} H10 767 -1 1 {} H 0.0 {0.538125 0.377846 0.54916} H11 768 -1 1 {} H 0.0 {0.324788 0.546946 0.470363} H12 769 -1 1 {} H 0.0 {0.275261 0.426208 0.498576} H13 770 -1 1 {} H 0.0 {0.262382 0.432781 0.505917} H14 771 -1 1 {} H 0.0 {0.608399 0.329046 0.418046} H15 772 -1 1 {} H 0.0 {0.633763 0.306016 0.441231} H16 773 -1 1 {} H 0.0 {0.64208 0.314238 0.427794} H17 774 -1 1 {} H 0.0 {0.627063 0.298204 0.421834} H18 775 -1 1 {} H 0.0 {0.619297 0.345939 0.444947} H19 776 -1 1 {} H 0.0 {0.623836 0.343876 0.4706} H20 777 -1 1 {} H 0.0 {0.612946 0.336979 0.481022} H21 778 -1 1 {} H 0.0 {0.628387 0.339022 0.485077} H22 779 -1 14 {} Si 0.0 {0.535791 0.486764 0.662926} Si1 780 -1 8 {} O 0.0 {0.53255 0.470918 0.662598} O1 781 -1 14 {} Si 0.0 {0.530745 0.45615 0.665857} Si2 782 -1 8 {} O 0.0 {0.531311 0.455633 0.681104} O2 783 -1 14 {} Si 0.0 {0.534883 0.455108 0.695889} Si3 784 -1 7 {} N 0.0 {0.518693 0.449033 0.705211} N1 785 -1 14 {} Si 0.0 {0.51704 0.434536 0.699267} Si4 786 -1 14 {} Si 0.0 {0.505461 0.450913 0.713749} Si5 787 -1 7 {} N 0.0 {0.704668 0.30034 0.491248} N2 788 -1 7 {} N 0.0 {0.524524 0.416705 0.707157} N3 789 -1 7 {} N 0.0 {0.505911 0.430215 0.682561} N4 790 -1 7 {} N 0.0 {0.496968 0.432441 0.722407} N5 791 -1 7 {} N 0.0 {0.51073 0.460549 0.732236} N6 792 -1 7 {} N 0.0 {0.49208 0.46342 0.706978} N7 793 -1 8 {} O 0.0 {0.526064 0.490762 0.651611} O3 794 -1 6 {} C 0.0 {0.55292 0.494472 0.663201} C1 795 -1 8 {} O 0.0 {0.524527 0.486604 0.679494} O4 796 -1 7 {} N 0.0 {0.542319 0.467684 0.7064} N8 797 -1 8 {} O 0.0 {0.547202 0.438782 0.694315} O5 798 -1 1 {} H 0.0 {0.529602 0.432288 0.629102} H1 799 -1 1 {} H 0.0 {0.514483 0.452844 0.661304} H2 800 -1 1 {} H 0.0 {0.700121 0.291519 0.492776} H3 801 -1 1 {} H 0.0 {0.696878 0.305979 0.486712} H4 802 -1 1 {} H 0.0 {0.534294 0.416387 0.705655} H5 803 -1 1 {} H 0.0 {0.522236 0.418292 0.717324} H6 804 -1 1 {} H 0.0 {0.496208 0.430626 0.686107} H7 805 -1 1 {} H 0.0 {0.507527 0.439366 0.678436} H8 806 -1 1 {} H 0.0 {0.499818 0.42449 0.716938} H9 807 -1 1 {} H 0.0 {0.487223 0.433887 0.718945} H10 808 -1 1 {} H 0.0 {0.512704 0.453218 0.739148} H11 809 -1 1 {} H 0.0 {0.504187 0.467513 0.736102} H12 810 -1 1 {} H 0.0 {0.483027 0.459284 0.709411} H13 811 -1 1 {} H 0.0 {0.493288 0.470631 0.714163} H14 812 -1 1 {} H 0.0 {0.519658 0.497231 0.654761} H15 813 -1 1 {} H 0.0 {0.559373 0.486888 0.658969} H16 814 -1 1 {} H 0.0 {0.556395 0.496592 0.672908} H17 815 -1 1 {} H 0.0 {0.552523 0.501689 0.65527} H18 816 -1 1 {} H 0.0 {0.527279 0.477504 0.683125} H19 817 -1 1 {} H 0.0 {0.548702 0.463313 0.712707} H20 818 -1 1 {} H 0.0 {0.548508 0.473343 0.700285} H21 819 -1 1 {} H 0.0 {0.551242 0.440816 0.685106} H22 820 -1 14 {} Si 0.0 {0.496641 0.471863 0.620124} Si1 821 -1 8 {} O 0.0 {0.488633 0.485513 0.623047} O1 822 -1 14 {} Si 0.0 {0.480389 0.497764 0.617689} Si2 823 -1 8 {} O 0.0 {0.500713 0.474962 0.605517} O2 824 -1 14 {} Si 0.0 {0.511472 0.475882 0.594142} Si3 825 -1 7 {} N 0.0 {0.511019 0.532169 0.528998} N1 826 -1 14 {} Si 0.0 {0.507421 0.517352 0.53277} Si4 827 -1 14 {} Si 0.0 {0.502912 0.546058 0.529902} Si5 828 -1 7 {} N 0.0 {0.521783 0.508917 0.541423} N2 829 -1 7 {} N 0.0 {0.502266 0.507243 0.518172} N3 830 -1 7 {} N 0.0 {0.494315 0.517366 0.546756} N4 831 -1 7 {} N 0.0 {0.51613 0.562359 0.527587} N5 832 -1 7 {} N 0.0 {0.531334 0.558878 0.531279} N6 833 -1 7 {} N 0.0 {0.493729 0.54852 0.547409} N7 834 -1 8 {} O 0.0 {0.52955 0.531859 0.687381} O3 835 -1 6 {} C 0.0 {0.492283 0.45037 0.628339} C1 836 -1 8 {} O 0.0 {0.505862 0.464165 0.584698} O4 837 -1 7 {} N 0.0 {0.550639 0.426315 0.620188} N8 838 -1 8 {} O 0.0 {0.482104 0.458525 0.616238} O5 839 -1 1 {} H 0.0 {0.480953 0.497302 0.601569} H1 840 -1 1 {} H 0.0 {0.434819 0.477738 0.647972} H2 841 -1 1 {} H 0.0 {0.526547 0.502526 0.53552} H3 842 -1 1 {} H 0.0 {0.528271 0.516745 0.541554} H4 843 -1 1 {} H 0.0 {0.511377 0.503468 0.515397} H5 844 -1 1 {} H 0.0 {0.501256 0.514625 0.510886} H6 845 -1 1 {} H 0.0 {0.499168 0.511375 0.553265} H7 846 -1 1 {} H 0.0 {0.473443 0.458947 0.503355} H8 847 -1 1 {} H 0.0 {0.513557 0.565251 0.517931} H9 848 -1 1 {} H 0.0 {0.511931 0.57046 0.534289} H10 849 -1 1 {} H 0.0 {0.531257 0.553998 0.540972} H11 850 -1 1 {} H 0.0 {0.535452 0.552237 0.524575} H12 851 -1 1 {} H 0.0 {0.494163 0.539463 0.551777} H13 852 -1 1 {} H 0.0 {0.502095 0.553985 0.551293} H14 853 -1 1 {} H 0.0 {0.533537 0.532332 0.678225} H15 854 -1 1 {} H 0.0 {0.497001 0.441949 0.623723} H16 855 -1 1 {} H 0.0 {0.48522 0.448776 0.6357} H17 856 -1 1 {} H 0.0 {0.500757 0.45438 0.633405} H18 857 -1 1 {} H 0.0 {0.497873 0.466357 0.580141} H19 858 -1 1 {} H 0.0 {0.558503 0.423306 0.614062} H20 859 -1 1 {} H 0.0 {0.555393 0.426153 0.629143} H21 860 -1 1 {} H 0.0 {0.474201 0.46223 0.621255} H22 861 -1 14 {} Si 0.0 {0.313298 0.639372 0.515893} Si1 862 -1 8 {} O 0.0 {0.323567 0.650906 0.511927} O1 863 -1 14 {} Si 0.0 {0.3391 0.656174 0.511407} Si2 864 -1 8 {} O 0.0 {0.33638 0.669628 0.519091} O2 865 -1 14 {} Si 0.0 {0.337742 0.679065 0.531363} Si3 866 -1 7 {} N 0.0 {0.352234 0.676875 0.540243} N1 867 -1 14 {} Si 0.0 {0.358675 0.675152 0.55647} Si4 868 -1 14 {} Si 0.0 {0.369591 0.673795 0.534116} Si5 869 -1 7 {} N 0.0 {0.344602 0.671397 0.567773} N2 870 -1 7 {} N 0.0 {0.52053 0.615052 0.234591} N3 871 -1 7 {} N 0.0 {0.298547 0.411193 0.667031} N4 872 -1 7 {} N 0.0 {0.369316 0.684289 0.518126} N5 873 -1 7 {} N 0.0 {0.396257 0.355536 0.634288} N6 874 -1 7 {} N 0.0 {0.446617 0.354016 0.507538} N7 875 -1 8 {} O 0.0 {0.3153 0.639565 0.531428} O3 876 -1 6 {} C 0.0 {0.313701 0.62497 0.506436} C1 877 -1 8 {} O 0.0 {0.295341 0.650603 0.513596} O4 878 -1 7 {} N 0.0 {0.670512 0.57832 0.3723} N8 879 -1 8 {} O 0.0 {0.328704 0.69049 0.52542} O5 880 -1 1 {} H 0.0 {0.328534 0.670359 0.463932} H1 881 -1 1 {} H 0.0 {0.345596 0.646726 0.520737} H2 882 -1 1 {} H 0.0 {0.346198 0.661434 0.570092} H3 883 -1 1 {} H 0.0 {0.57836 0.268592 0.403487} H4 884 -1 1 {} H 0.0 {0.523734 0.615404 0.224676} H5 885 -1 1 {} H 0.0 {0.520255 0.605659 0.237685} H6 886 -1 1 {} H 0.0 {0.487176 0.246057 0.393991} H7 887 -1 1 {} H 0.0 {0.485455 0.281027 0.39978} H8 888 -1 1 {} H 0.0 {0.377882 0.688942 0.52076} H9 889 -1 1 {} H 0.0 {0.361832 0.690523 0.52103} H10 890 -1 1 {} H 0.0 {0.398966 0.359369 0.642835} H11 891 -1 1 {} H 0.0 {0.404557 0.356259 0.62841} H12 892 -1 1 {} H 0.0 {0.453195 0.351793 0.515546} H13 893 -1 1 {} H 0.0 {0.497083 0.320324 0.397264} H14 894 -1 1 {} H 0.0 {0.314526 0.649376 0.53492} H15 895 -1 1 {} H 0.0 {0.304779 0.611912 0.513018} H16 896 -1 1 {} H 0.0 {0.323513 0.621173 0.507121} H17 897 -1 1 {} H 0.0 {0.310925 0.626086 0.496463} H18 898 -1 1 {} H 0.0 {0.296415 0.658418 0.520024} H19 899 -1 1 {} H 0.0 {0.661579 0.5787 0.377881} H20 900 -1 1 {} H 0.0 {0.670567 0.587075 0.36647} H21 901 -1 1 {} H 0.0 {0.319409 0.687471 0.525599} H22 902 -1 14 {} Si 0.0 {0.51146 0.259905 0.356776} Si1 903 -1 8 {} O 0.0 {0.515314 0.261417 0.371381} O1 904 -1 14 {} Si 0.0 {0.516402 0.253827 0.384229} Si2 905 -1 8 {} O 0.0 {0.527159 0.242995 0.379385} O2 906 -1 14 {} Si 0.0 {0.398035 0.425496 0.719838} Si3 907 -1 7 {} N 0.0 {0.3746 0.701135 0.485295} N1 908 -1 14 {} Si 0.0 {0.36912 0.715687 0.491379} Si4 909 -1 14 {} Si 0.0 {0.3677 0.70648 0.467973} Si5 910 -1 7 {} N 0.0 {0.394487 0.422551 0.597157} N2 911 -1 7 {} N 0.0 {0.358596 0.710821 0.506816} N3 912 -1 7 {} N 0.0 {0.38149 0.728014 0.496889} N4 913 -1 7 {} N 0.0 {0.350996 0.272913 0.460979} N5 914 -1 7 {} N 0.0 {0.618781 0.543456 0.260151} N6 915 -1 7 {} N 0.0 {0.352349 0.695593 0.46405} N7 916 -1 8 {} O 0.0 {0.493295 0.239052 0.386522} O3 917 -1 6 {} C 0.0 {0.502135 0.248517 0.347891} C1 918 -1 8 {} O 0.0 {0.380615 0.427275 0.584836} O4 919 -1 7 {} N 0.0 {0.391105 0.440179 0.731446} N8 920 -1 8 {} O 0.0 {0.379176 0.651022 0.611969} O5 921 -1 1 {} H 0.0 {0.531282 0.60426 0.255877} H1 922 -1 1 {} H 0.0 {0.523074 0.262971 0.408392} H2 923 -1 1 {} H 0.0 {0.402965 0.428265 0.595044} H3 924 -1 1 {} H 0.0 {0.397452 0.412961 0.59623} H4 925 -1 1 {} H 0.0 {0.361355 0.701014 0.507162} H5 926 -1 1 {} H 0.0 {0.365472 0.714888 0.513548} H6 927 -1 1 {} H 0.0 {0.390742 0.723968 0.497054} H7 928 -1 1 {} H 0.0 {0.378544 0.729478 0.5061} H8 929 -1 1 {} H 0.0 {0.361233 0.27542 0.459401} H9 930 -1 1 {} H 0.0 {0.350114 0.272622 0.471011} H10 931 -1 1 {} H 0.0 {0.613612 0.55317 0.258714} H11 932 -1 1 {} H 0.0 {0.619116 0.53924 0.250957} H12 933 -1 1 {} H 0.0 {0.344536 0.701927 0.464138} H13 934 -1 1 {} H 0.0 {0.352091 0.691467 0.473923} H14 935 -1 1 {} H 0.0 {0.499514 0.239738 0.353315} H15 936 -1 1 {} H 0.0 {0.494111 0.266676 0.339729} H16 937 -1 1 {} H 0.0 {0.506709 0.588619 0.274775} H17 938 -1 1 {} H 0.0 {0.50702 0.246742 0.338661} H18 939 -1 1 {} H 0.0 {0.380567 0.437084 0.582931} H19 940 -1 1 {} H 0.0 {0.396294 0.43625 0.73893} H20 941 -1 1 {} H 0.0 {0.381621 0.438833 0.734297} H21 942 -1 1 {} H 0.0 {0.367883 0.693776 0.487991} H22 943 -1 14 {} Si 0.0 {0.569033 0.611237 0.501525} Si1 944 -1 8 {} O 0.0 {0.57282 0.601526 0.513234} O1 945 -1 14 {} Si 0.0 {0.572838 0.598843 0.529476} Si2 946 -1 8 {} O 0.0 {0.5836 0.587889 0.531672} O2 947 -1 14 {} Si 0.0 {0.595606 0.5798 0.526102} Si3 948 -1 7 {} N 0.0 {0.599134 0.563932 0.537497} N1 949 -1 14 {} Si 0.0 {0.611843 0.561746 0.547496} Si4 950 -1 14 {} Si 0.0 {0.589949 0.551053 0.533112} Si5 951 -1 7 {} N 0.0 {0.606713 0.555324 0.566162} N2 952 -1 7 {} N 0.0 {0.61993 0.579147 0.553128} N3 953 -1 7 {} N 0.0 {0.626261 0.550865 0.540811} N4 954 -1 7 {} N 0.0 {0.574424 0.556749 0.524007} N5 955 -1 7 {} N 0.0 {0.599361 0.538522 0.521849} N6 956 -1 7 {} N 0.0 {0.581994 0.542186 0.548855} N7 957 -1 8 {} O 0.0 {0.56292 0.601429 0.49069} O3 958 -1 6 {} C 0.0 {0.580968 0.6245 0.496899} C1 959 -1 8 {} O 0.0 {0.552001 0.616887 0.511147} O4 960 -1 7 {} N 0.0 {0.612199 0.58933 0.524004} N8 961 -1 8 {} O 0.0 {0.590116 0.578174 0.511349} O5 962 -1 1 {} H 0.0 {0.559732 0.593864 0.531994} H1 963 -1 1 {} H 0.0 {0.578445 0.610683 0.538528} H2 964 -1 1 {} H 0.0 {0.598089 0.561747 0.566526} H3 965 -1 1 {} H 0.0 {0.613028 0.560807 0.571431} H4 966 -1 1 {} H 0.0 {0.617732 0.578604 0.562758} H5 967 -1 1 {} H 0.0 {0.363661 0.679871 0.439585} H6 968 -1 1 {} H 0.0 {0.620859 0.542766 0.538763} H7 969 -1 1 {} H 0.0 {0.628889 0.555061 0.531884} H8 970 -1 1 {} H 0.0 {0.56898 0.559678 0.532607} H9 971 -1 1 {} H 0.0 {0.577383 0.565237 0.518949} H10 972 -1 1 {} H 0.0 {0.602367 0.532105 0.529239} H11 973 -1 1 {} H 0.0 {0.608526 0.543182 0.519646} H12 974 -1 1 {} H 0.0 {0.571975 0.54179 0.545806} H13 975 -1 1 {} H 0.0 {0.582329 0.54967 0.555712} H14 976 -1 1 {} H 0.0 {0.553086 0.600163 0.490879} H15 977 -1 1 {} H 0.0 {0.588141 0.627069 0.504299} H16 978 -1 1 {} H 0.0 {0.574694 0.632886 0.494775} H17 979 -1 1 {} H 0.0 {0.58627 0.622498 0.488363} H18 980 -1 1 {} H 0.0 {0.556411 0.621646 0.518306} H19 981 -1 1 {} H 0.0 {0.610858 0.599252 0.527584} H20 982 -1 1 {} H 0.0 {0.613063 0.590768 0.513196} H21 983 -1 1 {} H 0.0 {0.584723 0.585617 0.508602} H22 984 -1 14 {} Si 0.0 {0.597524 0.696653 0.532002} Si1 985 -1 8 {} O 0.0 {0.590339 0.705158 0.543326} O1 986 -1 14 {} Si 0.0 {0.589301 0.708566 0.558602} Si2 987 -1 8 {} O 0.0 {0.573953 0.706912 0.561521} O2 988 -1 14 {} Si 0.0 {0.560256 0.700609 0.559343} Si3 989 -1 7 {} N 0.0 {0.5535 0.691105 0.571271} N1 990 -1 14 {} Si 0.0 {0.563388 0.679992 0.57906} Si4 991 -1 14 {} Si 0.0 {0.522426 0.731309 0.598723} Si5 992 -1 7 {} N 0.0 {0.577894 0.673793 0.566648} N2 993 -1 7 {} N 0.0 {0.554455 0.663452 0.581605} N3 994 -1 7 {} N 0.0 {0.568209 0.685767 0.595156} N4 995 -1 7 {} N 0.0 {0.530907 0.731306 0.580357} N5 996 -1 7 {} N 0.0 {0.537031 0.724718 0.609518} N6 997 -1 7 {} N 0.0 {0.519306 0.745762 0.604376} N7 998 -1 8 {} O 0.0 {0.584519 0.688809 0.526063} O3 999 -1 6 {} C 0.0 {0.614398 0.688619 0.532645} C1 1000 -1 8 {} O 0.0 {0.596523 0.712437 0.519701} O4 1001 -1 7 {} N 0.0 {0.546853 0.715961 0.558116} N8 1002 -1 8 {} O 0.0 {0.653905 0.694311 0.543682} O5 1003 -1 1 {} H 0.0 {0.568159 0.718928 0.576925} H1 1004 -1 1 {} H 0.0 {0.556971 0.558111 0.675479} H2 1005 -1 1 {} H 0.0 {0.58368 0.681622 0.56813} H3 1006 -1 1 {} H 0.0 {0.573756 0.675736 0.557478} H4 1007 -1 1 {} H 0.0 {0.54663 0.662552 0.574739} H5 1008 -1 1 {} H 0.0 {0.561435 0.656923 0.57686} H6 1009 -1 1 {} H 0.0 {0.577345 0.690873 0.594185} H7 1010 -1 1 {} H 0.0 {0.56954 0.677916 0.601376} H8 1011 -1 1 {} H 0.0 {0.538943 0.725208 0.583195} H9 1012 -1 1 {} H 0.0 {0.535225 0.740639 0.579726} H10 1013 -1 1 {} H 0.0 {0.539072 0.73272 0.615516} H11 1014 -1 1 {} H 0.0 {0.544359 0.725583 0.602056} H12 1015 -1 1 {} H 0.0 {0.516762 0.746504 0.61366} H13 1016 -1 1 {} H 0.0 {0.600036 0.58234 0.705468} H14 1017 -1 1 {} H 0.0 {0.581189 0.69353 0.51821} H15 1018 -1 1 {} H 0.0 {0.615521 0.682354 0.54081} H16 1019 -1 1 {} H 0.0 {0.622052 0.696125 0.532817} H17 1020 -1 1 {} H 0.0 {0.61385 0.684306 0.522407} H18 1021 -1 1 {} H 0.0 {0.589166 0.709388 0.513588} H19 1022 -1 1 {} H 0.0 {0.551955 0.722087 0.565068} H20 1023 -1 1 {} H 0.0 {0.549413 0.720946 0.549464} H21 1024 -1 1 {} H 0.0 {0.660732 0.70074 0.54233} H22 1025 -1 14 {} Si 0.0 {0.27704 0.397601 0.617699} Si1 1026 -1 8 {} O 0.0 {0.296378 0.395821 0.612037} O1 1027 -1 14 {} Si 0.0 {0.313785 0.45604 0.539234} Si2 1028 -1 8 {} O 0.0 {0.616675 0.475266 0.740551} O2 1029 -1 14 {} Si 0.0 {0.568888 0.496519 0.701163} Si3 1030 -1 7 {} N 0.0 {0.630801 0.492936 0.713487} N1 1031 -1 14 {} Si 0.0 {0.749131 0.356939 0.488355} Si4 1032 -1 14 {} Si 0.0 {0.741576 0.379739 0.488614} Si5 1033 -1 7 {} N 0.0 {0.753145 0.352583 0.506565} N2 1034 -1 7 {} N 0.0 {0.660058 0.582186 0.40463} N3 1035 -1 7 {} N 0.0 {0.766429 0.356074 0.479438} N4 1036 -1 7 {} N 0.0 {0.739282 0.384908 0.471864} N5 1037 -1 7 {} N 0.0 {0.597746 0.725813 0.567227} N6 1038 -1 7 {} N 0.0 {0.752124 0.389952 0.498184} N7 1039 -1 8 {} O 0.0 {0.282462 0.3996 0.632613} O3 1040 -1 6 {} C 0.0 {0.309488 0.40694 0.608721} C1 1041 -1 8 {} O 0.0 {0.279937 0.412536 0.614863} O4 1042 -1 7 {} N 0.0 {0.559974 0.515089 0.699566} N8 1043 -1 8 {} O 0.0 {0.5636 0.486442 0.690198} O5 1044 -1 1 {} H 0.0 {0.322205 0.443028 0.544116} H1 1045 -1 1 {} H 0.0 {0.318837 0.466432 0.548713} H2 1046 -1 1 {} H 0.0 {0.761653 0.358109 0.506926} H3 1047 -1 1 {} H 0.0 {0.745148 0.357662 0.510445} H4 1048 -1 1 {} H 0.0 {0.654534 0.578625 0.41268} H5 1049 -1 1 {} H 0.0 {0.668621 0.576109 0.402142} H6 1050 -1 1 {} H 0.0 {0.764101 0.360171 0.470091} H7 1051 -1 1 {} H 0.0 {0.765101 0.345947 0.478596} H8 1052 -1 1 {} H 0.0 {0.728974 0.384948 0.470467} H9 1053 -1 1 {} H 0.0 {0.74265 0.394302 0.471818} H10 1054 -1 1 {} H 0.0 {0.60825 0.725339 0.565141} H11 1055 -1 1 {} H 0.0 {0.596098 0.72249 0.576851} H12 1056 -1 1 {} H 0.0 {0.74556 0.396881 0.501867} H13 1057 -1 1 {} H 0.0 {0.758195 0.394652 0.491064} H14 1058 -1 1 {} H 0.0 {0.304763 0.417592 0.670943} H15 1059 -1 1 {} H 0.0 {0.313587 0.406398 0.599256} H16 1060 -1 1 {} H 0.0 {0.330645 0.409745 0.697632} H17 1061 -1 1 {} H 0.0 {0.315609 0.411347 0.61576} H18 1062 -1 1 {} H 0.0 {0.259134 0.420956 0.566244} H19 1063 -1 1 {} H 0.0 {0.552831 0.511983 0.692784} H20 1064 -1 1 {} H 0.0 {0.568156 0.518758 0.695109} H21 1065 -1 1 {} H 0.0 {0.571058 0.482082 0.6861} H22 1066 -1 14 {} Si 0.0 {0.428774 0.658012 0.298594} Si1 1067 -1 8 {} O 0.0 {0.414224 0.656487 0.292521} O1 1068 -1 14 {} Si 0.0 {0.398998 0.658201 0.293882} Si2 1069 -1 8 {} O 0.0 {0.394876 0.65078 0.306984} O2 1070 -1 14 {} Si 0.0 {0.398078 0.639184 0.316336} Si3 1071 -1 7 {} N 0.0 {0.39958 0.622112 0.317575} N1 1072 -1 14 {} Si 0.0 {0.400567 0.611209 0.30575} Si4 1073 -1 14 {} Si 0.0 {0.408529 0.62142 0.342887} Si5 1074 -1 7 {} N 0.0 {0.398104 0.619635 0.287608} N2 1075 -1 7 {} N 0.0 {0.384761 0.600922 0.305916} N3 1076 -1 7 {} N 0.0 {0.414436 0.598585 0.307255} N4 1077 -1 7 {} N 0.0 {0.39733 0.616297 0.332311} N5 1078 -1 7 {} N 0.0 {0.422331 0.608005 0.344181} N6 1079 -1 7 {} N 0.0 {0.403708 0.627997 0.358215} N7 1080 -1 8 {} O 0.0 {0.430985 0.636654 0.29796} O3 1081 -1 6 {} C 0.0 {0.435291 0.668097 0.310306} C1 1082 -1 8 {} O 0.0 {0.435089 0.66072 0.278457} O4 1083 -1 7 {} N 0.0 {0.369788 0.635017 0.338191} N8 1084 -1 8 {} O 0.0 {0.415109 0.645043 0.327952} O5 1085 -1 1 {} H 0.0 {0.398925 0.655091 0.268771} H1 1086 -1 1 {} H 0.0 {0.395255 0.672954 0.295609} H2 1087 -1 1 {} H 0.0 {0.700974 0.68667 0.52542} H3 1088 -1 1 {} H 0.0 {0.389985 0.625035 0.290777} H4 1089 -1 1 {} H 0.0 {0.37789 0.607233 0.309055} H5 1090 -1 1 {} H 0.0 {0.385983 0.594289 0.3138} H6 1091 -1 1 {} H 0.0 {0.411017 0.593269 0.315555} H7 1092 -1 1 {} H 0.0 {0.423272 0.602664 0.311106} H8 1093 -1 1 {} H 0.0 {0.362631 0.659208 0.350876} H9 1094 -1 1 {} H 0.0 {0.398348 0.605852 0.331237} H10 1095 -1 1 {} H 0.0 {0.417822 0.600402 0.339408} H11 1096 -1 1 {} H 0.0 {0.427936 0.612423 0.336589} H12 1097 -1 1 {} H 0.0 {0.394564 0.624314 0.361348} H13 1098 -1 1 {} H 0.0 {0.432504 0.624738 0.21537} H14 1099 -1 1 {} H 0.0 {0.439362 0.635464 0.291152} H15 1100 -1 1 {} H 0.0 {0.429783 0.666384 0.318982} H16 1101 -1 1 {} H 0.0 {0.572006 0.658117 0.691676} H17 1102 -1 1 {} H 0.0 {0.433475 0.678067 0.307421} H18 1103 -1 1 {} H 0.0 {0.426882 0.659664 0.273399} H19 1104 -1 1 {} H 0.0 {0.371223 0.635419 0.348425} H20 1105 -1 1 {} H 0.0 {0.37568 0.626428 0.33633} H21 1106 -1 1 {} H 0.0 {0.413422 0.636467 0.335696} H22 1107 -1 14 {} Si 0.0 {0.626596 0.408951 0.638113} Si1 1108 -1 8 {} O 0.0 {0.630488 0.417947 0.625245} O1 1109 -1 14 {} Si 0.0 {0.624995 0.427648 0.61402} Si2 1110 -1 8 {} O 0.0 {0.63571 0.426265 0.602286} O2 1111 -1 14 {} Si 0.0 {0.649663 0.429777 0.59622} Si3 1112 -1 7 {} N 0.0 {0.654896 0.424767 0.577574} N1 1113 -1 14 {} Si 0.0 {0.640789 0.423519 0.568832} Si4 1114 -1 14 {} Si 0.0 {0.667379 0.426926 0.566903} Si5 1115 -1 7 {} N 0.0 {0.642625 0.416828 0.551334} N2 1116 -1 7 {} N 0.0 {0.632819 0.440516 0.566873} N3 1117 -1 7 {} N 0.0 {0.628199 0.411109 0.577431} N4 1118 -1 7 {} N 0.0 {0.673217 0.411418 0.556659} N5 1119 -1 7 {} N 0.0 {0.668043 0.441785 0.555744} N6 1120 -1 7 {} N 0.0 {0.683987 0.43015 0.577244} N7 1121 -1 8 {} O 0.0 {0.635381 0.418785 0.647579} O3 1122 -1 6 {} C 0.0 {0.632198 0.391055 0.640277} C1 1123 -1 8 {} O 0.0 {0.6116 0.414778 0.638816} O4 1124 -1 7 {} N 0.0 {0.666339 0.425908 0.604972} N8 1125 -1 8 {} O 0.0 {0.647413 0.445479 0.594068} O5 1126 -1 1 {} H 0.0 {0.605492 0.4439 0.613452} H1 1127 -1 1 {} H 0.0 {0.611052 0.419804 0.607344} H2 1128 -1 1 {} H 0.0 {0.635649 0.409158 0.550893} H3 1129 -1 1 {} H 0.0 {0.638313 0.42443 0.546435} H4 1130 -1 1 {} H 0.0 {0.624223 0.438466 0.57194} H5 1131 -1 1 {} H 0.0 {0.631213 0.440629 0.556885} H6 1132 -1 1 {} H 0.0 {0.619175 0.413006 0.573188} H7 1133 -1 1 {} H 0.0 {0.628456 0.415684 0.586475} H8 1134 -1 1 {} H 0.0 {0.670836 0.413938 0.547615} H9 1135 -1 1 {} H 0.0 {0.683378 0.413273 0.55721} H10 1136 -1 1 {} H 0.0 {0.672017 0.437811 0.54731} H11 1137 -1 1 {} H 0.0 {0.658685 0.445882 0.554084} H12 1138 -1 1 {} H 0.0 {0.687877 0.421163 0.575276} H13 1139 -1 1 {} H 0.0 {0.679487 0.429572 0.586126} H14 1140 -1 1 {} H 0.0 {0.630081 0.426077 0.649944} H15 1141 -1 1 {} H 0.0 {0.642367 0.3918 0.638443} H16 1142 -1 1 {} H 0.0 {0.626858 0.384358 0.633923} H17 1143 -1 1 {} H 0.0 {0.630469 0.388808 0.650293} H18 1144 -1 1 {} H 0.0 {0.611947 0.422205 0.644913} H19 1145 -1 1 {} H 0.0 {0.664713 0.418406 0.611325} H20 1146 -1 1 {} H 0.0 {0.668578 0.433869 0.610453} H21 1147 -1 1 {} H 0.0 {0.644334 0.446603 0.584709} H22 1148 -1 14 {} Si 0.0 {0.416654 0.411847 0.569541} Si1 1149 -1 8 {} O 0.0 {0.420396 0.422797 0.580082} O1 1150 -1 14 {} Si 0.0 {0.429988 0.433947 0.586612} Si2 1151 -1 8 {} O 0.0 {0.443384 0.434252 0.578576} O2 1152 -1 14 {} Si 0.0 {0.456874 0.425926 0.583366} Si3 1153 -1 7 {} N 0.0 {0.456041 0.417541 0.600829} N1 1154 -1 14 {} Si 0.0 {0.442659 0.422611 0.614659} Si4 1155 -1 14 {} Si 0.0 {0.462644 0.404152 0.606311} Si5 1156 -1 7 {} N 0.0 {0.448736 0.417951 0.632048} N2 1157 -1 7 {} N 0.0 {0.424686 0.41564 0.615292} N3 1158 -1 7 {} N 0.0 {0.445988 0.44169 0.616952} N4 1159 -1 7 {} N 0.0 {0.471044 0.395867 0.590889} N5 1160 -1 7 {} N 0.0 {0.476435 0.407476 0.619091} N6 1161 -1 7 {} N 0.0 {0.449807 0.391195 0.61201} N7 1162 -1 8 {} O 0.0 {0.412207 0.401422 0.580386} O3 1163 -1 6 {} C 0.0 {0.430136 0.407978 0.556587} C1 1164 -1 8 {} O 0.0 {0.402459 0.418084 0.565485} O4 1165 -1 7 {} N 0.0 {0.473119 0.435127 0.581412} N8 1166 -1 8 {} O 0.0 {0.454491 0.415069 0.572536} O5 1167 -1 1 {} H 0.0 {0.435797 0.428412 0.600618} H1 1168 -1 1 {} H 0.0 {0.423612 0.446355 0.586063} H2 1169 -1 1 {} H 0.0 {0.458924 0.418054 0.632975} H3 1170 -1 1 {} H 0.0 {0.446134 0.407973 0.632203} H4 1171 -1 1 {} H 0.0 {0.418686 0.42361 0.616686} H5 1172 -1 1 {} H 0.0 {0.42495 0.410336 0.624093} H6 1173 -1 1 {} H 0.0 {0.437416 0.446271 0.620099} H7 1174 -1 1 {} H 0.0 {0.452225 0.44301 0.625022} H8 1175 -1 1 {} H 0.0 {0.465264 0.399801 0.582631} H9 1176 -1 1 {} H 0.0 {0.467042 0.386963 0.591896} H10 1177 -1 1 {} H 0.0 {0.483969 0.411085 0.612784} H11 1178 -1 1 {} H 0.0 {0.479192 0.39804 0.621899} H12 1179 -1 1 {} H 0.0 {0.442795 0.396536 0.617452} H13 1180 -1 1 {} H 0.0 {0.454572 0.385014 0.618196} H14 1181 -1 1 {} H 0.0 {0.402741 0.401118 0.580583} H15 1182 -1 1 {} H 0.0 {0.439362 0.406915 0.562309} H16 1183 -1 1 {} H 0.0 {0.431145 0.417142 0.55081} H17 1184 -1 1 {} H 0.0 {0.42737 0.399682 0.550555} H18 1185 -1 1 {} H 0.0 {0.398565 0.422911 0.572846} H19 1186 -1 1 {} H 0.0 {0.470769 0.444866 0.580703} H20 1187 -1 1 {} H 0.0 {0.477872 0.432315 0.573096} H21 1188 -1 1 {} H 0.0 {0.459157 0.415411 0.564027} H22 1189 -1 14 {} Si 0.0 {0.579214 0.338866 0.585901} Si1 1190 -1 8 {} O 0.0 {0.560412 0.337058 0.575135} O1 1191 -1 14 {} Si 0.0 {0.552812 0.331241 0.562922} Si2 1192 -1 8 {} O 0.0 {0.539248 0.328892 0.570071} O2 1193 -1 14 {} Si 0.0 {0.530728 0.322788 0.582135} Si3 1194 -1 7 {} N 0.0 {0.525604 0.329013 0.595332} N1 1195 -1 14 {} Si 0.0 {0.64048 0.717562 0.489638} Si4 1196 -1 14 {} Si 0.0 {0.524859 0.334301 0.611011} Si5 1197 -1 7 {} N 0.0 {0.644978 0.709027 0.475428} N2 1198 -1 7 {} N 0.0 {0.624112 0.719354 0.491382} N3 1199 -1 7 {} N 0.0 {0.651977 0.726817 0.499001} N4 1200 -1 7 {} N 0.0 {0.543944 0.412712 0.510946} N5 1201 -1 7 {} N 0.0 {0.624096 0.41722 0.314781} N6 1202 -1 7 {} N 0.0 {0.563668 0.365148 0.554216} N7 1203 -1 8 {} O 0.0 {0.573921 0.336401 0.600936} O3 1204 -1 6 {} C 0.0 {0.575655 0.329374 0.571725} C1 1205 -1 8 {} O 0.0 {0.668228 0.27524 0.518907} O4 1206 -1 7 {} N 0.0 {0.637959 0.61797 0.438882} N8 1207 -1 8 {} O 0.0 {0.526506 0.308319 0.57818} O5 1208 -1 1 {} H 0.0 {0.584744 0.318339 0.522238} H1 1209 -1 1 {} H 0.0 {0.550698 0.344898 0.553427} H2 1210 -1 1 {} H 0.0 {0.637989 0.702339 0.472116} H3 1211 -1 1 {} H 0.0 {0.653367 0.70313 0.475988} H4 1212 -1 1 {} H 0.0 {0.434375 0.273524 0.436006} H5 1213 -1 1 {} H 0.0 {0.620437 0.71403 0.483225} H6 1214 -1 1 {} H 0.0 {0.65589 0.732815 0.491874} H7 1215 -1 1 {} H 0.0 {0.646105 0.732742 0.504777} H8 1216 -1 1 {} H 0.0 {0.543685 0.409017 0.501138} H9 1217 -1 1 {} H 0.0 {0.549792 0.405465 0.515624} H10 1218 -1 1 {} H 0.0 {0.630741 0.418168 0.307081} H11 1219 -1 1 {} H 0.0 {0.291734 0.39659 0.632868} H12 1220 -1 1 {} H 0.0 {0.570813 0.359202 0.550023} H13 1221 -1 1 {} H 0.0 {0.564403 0.374053 0.549431} H14 1222 -1 1 {} H 0.0 {0.567673 0.328126 0.601071} H15 1223 -1 1 {} H 0.0 {0.482015 0.334078 0.674561} H16 1224 -1 1 {} H 0.0 {0.577314 0.312711 0.574817} H17 1225 -1 1 {} H 0.0 {0.582237 0.333166 0.564193} H18 1226 -1 1 {} H 0.0 {0.678873 0.302461 0.503123} H19 1227 -1 1 {} H 0.0 {0.629368 0.618023 0.443394} H20 1228 -1 1 {} H 0.0 {0.637412 0.609442 0.433267} H21 1229 -1 1 {} H 0.0 {0.517573 0.308231 0.575916} H22 1230 -1 14 {} Si 0.0 {0.428095 0.41902 0.732837} Si1 1231 -1 8 {} O 0.0 {0.431818 0.434139 0.736937} O1 1232 -1 14 {} Si 0.0 {0.434617 0.448321 0.732632} Si2 1233 -1 8 {} O 0.0 {0.44387 0.446548 0.71936} O2 1234 -1 14 {} Si 0.0 {0.458564 0.446758 0.712734} Si3 1235 -1 7 {} N 0.0 {0.466007 0.432965 0.707782} N1 1236 -1 14 {} Si 0.0 {0.46875 0.41786 0.703203} Si4 1237 -1 14 {} Si 0.0 {0.529263 0.724976 0.561593} Si5 1238 -1 7 {} N 0.0 {0.451386 0.407933 0.698346} N2 1239 -1 7 {} N 0.0 {0.524922 0.604528 0.656698} N3 1240 -1 7 {} N 0.0 {0.527715 0.363657 0.577584} N4 1241 -1 7 {} N 0.0 {0.472064 0.66361 0.50442} N5 1242 -1 7 {} N 0.0 {0.694467 0.620235 0.472707} N6 1243 -1 7 {} N 0.0 {0.535594 0.731221 0.500434} N7 1244 -1 8 {} O 0.0 {0.438701 0.417056 0.721092} O3 1245 -1 6 {} C 0.0 {0.407096 0.414454 0.730468} C1 1246 -1 8 {} O 0.0 {0.43848 0.414241 0.743962} O4 1247 -1 7 {} N 0.0 {0.494286 0.59574 0.667986} N8 1248 -1 8 {} O 0.0 {0.45761 0.460094 0.704212} O5 1249 -1 1 {} H 0.0 {0.690739 0.483272 0.520061} H1 1250 -1 1 {} H 0.0 {0.420947 0.454992 0.72564} H2 1251 -1 1 {} H 0.0 {0.446664 0.417456 0.696284} H3 1252 -1 1 {} H 0.0 {0.446558 0.404932 0.707386} H4 1253 -1 1 {} H 0.0 {0.522529 0.610677 0.664669} H5 1254 -1 1 {} H 0.0 {0.517042 0.603883 0.64974} H6 1255 -1 1 {} H 0.0 {0.531036 0.372102 0.58279} H7 1256 -1 1 {} H 0.0 {0.529231 0.36625 0.56795} H8 1257 -1 1 {} H 0.0 {0.47038 0.672855 0.508618} H9 1258 -1 1 {} H 0.0 {0.463603 0.658462 0.501178} H10 1259 -1 1 {} H 0.0 {0.689281 0.62641 0.479177} H11 1260 -1 1 {} H 0.0 {0.699276 0.613185 0.478587} H12 1261 -1 1 {} H 0.0 {0.537366 0.729732 0.490965} H13 1262 -1 1 {} H 0.0 {0.523587 0.473397 0.623951} H14 1263 -1 1 {} H 0.0 {0.443951 0.424978 0.719495} H15 1264 -1 1 {} H 0.0 {0.406528 0.404819 0.725767} H16 1265 -1 1 {} H 0.0 {0.386336 0.418615 0.71379} H17 1266 -1 1 {} H 0.0 {0.401576 0.414184 0.739593} H18 1267 -1 1 {} H 0.0 {0.447408 0.415731 0.741372} H19 1268 -1 1 {} H 0.0 {0.496665 0.600755 0.659527} H20 1269 -1 1 {} H 0.0 {0.403843 0.398321 0.694924} H21 1270 -1 1 {} H 0.0 {0.503224 0.595434 0.673539} H22 1271 -1 14 {} Si 0.0 {0.643276 0.661363 0.604709} Si1 1272 -1 8 {} O 0.0 {0.636766 0.646224 0.600141} O1 1273 -1 14 {} Si 0.0 {0.62411 0.63698 0.599895} Si2 1274 -1 8 {} O 0.0 {0.621433 0.636139 0.584928} O2 1275 -1 14 {} Si 0.0 {0.621667 0.644234 0.571442} Si3 1276 -1 7 {} N 0.0 {0.608698 0.639399 0.557353} N1 1277 -1 14 {} Si 0.0 {0.607997 0.6467 0.542783} Si4 1278 -1 14 {} Si 0.0 {0.602754 0.623932 0.556924} Si5 1279 -1 7 {} N 0.0 {0.610451 0.634384 0.527836} N2 1280 -1 7 {} N 0.0 {0.622409 0.658518 0.541633} N3 1281 -1 7 {} N 0.0 {0.590995 0.655852 0.542575} N4 1282 -1 7 {} N 0.0 {0.614828 0.610666 0.549593} N5 1283 -1 7 {} N 0.0 {0.598659 0.619267 0.575708} N6 1284 -1 7 {} N 0.0 {0.58476 0.623347 0.549277} N7 1285 -1 8 {} O 0.0 {0.648865 0.655199 0.617982} O3 1286 -1 6 {} C 0.0 {0.637678 0.678277 0.600191} C1 1287 -1 8 {} O 0.0 {0.665659 0.670433 0.591877} O4 1288 -1 7 {} N 0.0 {0.63962 0.644858 0.564536} N8 1289 -1 8 {} O 0.0 {0.616753 0.658599 0.576192} O5 1290 -1 1 {} H 0.0 {0.544297 0.565322 0.671046} H1 1291 -1 1 {} H 0.0 {0.631672 0.623215 0.602764} H2 1292 -1 1 {} H 0.0 {0.600598 0.633067 0.525001} H3 1293 -1 1 {} H 0.0 {0.612004 0.626321 0.534296} H4 1294 -1 1 {} H 0.0 {0.630116 0.651194 0.542155} H5 1295 -1 1 {} H 0.0 {0.621147 0.661563 0.551218} H6 1296 -1 1 {} H 0.0 {0.59264 0.6631 0.549556} H7 1297 -1 1 {} H 0.0 {0.591936 0.661643 0.534369} H8 1298 -1 1 {} H 0.0 {0.614663 0.602879 0.555589} H9 1299 -1 1 {} H 0.0 {0.624266 0.6147 0.551238} H10 1300 -1 1 {} H 0.0 {0.590005 0.62478 0.577402} H11 1301 -1 1 {} H 0.0 {0.605898 0.624125 0.580379} H12 1302 -1 1 {} H 0.0 {0.583954 0.631921 0.543789} H13 1303 -1 1 {} H 0.0 {0.577759 0.624398 0.556994} H14 1304 -1 1 {} H 0.0 {0.642129 0.655522 0.624994} H15 1305 -1 1 {} H 0.0 {0.646224 0.683649 0.600603} H16 1306 -1 1 {} H 0.0 {0.629844 0.685919 0.612004} H17 1307 -1 1 {} H 0.0 {0.633718 0.678883 0.590117} H18 1308 -1 1 {} H 0.0 {0.674981 0.672561 0.587687} H19 1309 -1 1 {} H 0.0 {0.645681 0.64418 0.572669} H20 1310 -1 1 {} H 0.0 {0.640309 0.636854 0.558444} H21 1311 -1 1 {} H 0.0 {0.607378 0.659954 0.575962} H22 1312 -1 14 {} Si 0.0 {0.627737 0.602071 0.639566} Si1 1313 -1 8 {} O 0.0 {0.629225 0.587842 0.634185} O1 1314 -1 14 {} Si 0.0 {0.629655 0.576387 0.623491} Si2 1315 -1 8 {} O 0.0 {0.642159 0.584608 0.614518} O2 1316 -1 14 {} Si 0.0 {0.642352 0.595556 0.601938} Si3 1317 -1 7 {} N 0.0 {0.6482 0.592082 0.586314} N1 1318 -1 14 {} Si 0.0 {0.656843 0.602482 0.571647} Si4 1319 -1 14 {} Si 0.0 {0.651606 0.578345 0.577482} Si5 1320 -1 7 {} N 0.0 {0.655886 0.597035 0.555953} N2 1321 -1 7 {} N 0.0 {0.673638 0.609476 0.576469} N3 1322 -1 7 {} N 0.0 {0.645191 0.617426 0.571051} N4 1323 -1 7 {} N 0.0 {0.636392 0.56698 0.578145} N5 1324 -1 7 {} N 0.0 {0.65244 0.581089 0.556411} N6 1325 -1 7 {} N 0.0 {0.668612 0.571304 0.583769} N7 1326 -1 8 {} O 0.0 {0.61194 0.603126 0.64105} O3 1327 -1 6 {} C 0.0 {0.637597 0.616497 0.632243} C1 1328 -1 8 {} O 0.0 {0.630945 0.592856 0.657253} O4 1329 -1 7 {} N 0.0 {0.481709 0.495266 0.714378} N8 1330 -1 8 {} O 0.0 {0.6354 0.608734 0.607838} O5 1331 -1 1 {} H 0.0 {0.615556 0.578333 0.615291} H1 1332 -1 1 {} H 0.0 {0.634188 0.560564 0.631772} H2 1333 -1 1 {} H 0.0 {0.650514 0.603314 0.550858} H3 1334 -1 1 {} H 0.0 {0.653084 0.588758 0.501713} H4 1335 -1 1 {} H 0.0 {0.676766 0.610191 0.567025} H5 1336 -1 1 {} H 0.0 {0.671994 0.619264 0.579187} H6 1337 -1 1 {} H 0.0 {0.638939 0.616017 0.579292} H7 1338 -1 1 {} H 0.0 {0.651692 0.624637 0.57297} H8 1339 -1 1 {} H 0.0 {0.628022 0.573428 0.577793} H9 1340 -1 1 {} H 0.0 {0.635895 0.562485 0.568279} H10 1341 -1 1 {} H 0.0 {0.660837 0.575686 0.553263} H11 1342 -1 1 {} H 0.0 {0.642746 0.578296 0.554332} H12 1343 -1 1 {} H 0.0 {0.676172 0.574958 0.578188} H13 1344 -1 1 {} H 0.0 {0.66844 0.575693 0.592952} H14 1345 -1 1 {} H 0.0 {0.609995 0.60519 0.650107} H15 1346 -1 1 {} H 0.0 {0.639301 0.623267 0.6404} H16 1347 -1 1 {} H 0.0 {0.631892 0.620071 0.62404} H17 1348 -1 1 {} H 0.0 {0.646981 0.613025 0.629265} H18 1349 -1 1 {} H 0.0 {0.640282 0.593162 0.658693} H19 1350 -1 1 {} H 0.0 {0.477074 0.498447 0.706023} H20 1351 -1 1 {} H 0.0 {0.473969 0.494324 0.72136} H21 1352 -1 1 {} H 0.0 {0.624892 0.606563 0.60877} H22 1353 -1 14 {} Si 0.0 {0.457391 0.52101 0.271176} Si1 1354 -1 8 {} O 0.0 {0.458353 0.535504 0.275648} O1 1355 -1 14 {} Si 0.0 {0.466265 0.547728 0.280965} Si2 1356 -1 8 {} O 0.0 {0.476539 0.542805 0.290992} O2 1357 -1 14 {} Si 0.0 {0.490455 0.536557 0.294817} Si3 1358 -1 7 {} N 0.0 {0.492464 0.522023 0.304626} N1 1359 -1 14 {} Si 0.0 {0.477601 0.515359 0.300419} Si4 1360 -1 14 {} Si 0.0 {0.504694 0.514237 0.311641} Si5 1361 -1 7 {} N 0.0 {0.464009 0.518101 0.314307} N2 1362 -1 7 {} N 0.0 {0.483023 0.496925 0.297557} N3 1363 -1 7 {} N 0.0 {0.494191 0.505537 0.438623} N4 1364 -1 7 {} N 0.0 {0.513058 0.526092 0.324295} N5 1365 -1 7 {} N 0.0 {0.500959 0.498489 0.321887} N6 1366 -1 7 {} N 0.0 {0.51754 0.509057 0.297918} N7 1367 -1 8 {} O 0.0 {0.435556 0.521769 0.274854} O3 1368 -1 6 {} C 0.0 {0.465524 0.508128 0.28063} C1 1369 -1 8 {} O 0.0 {0.457216 0.523168 0.255291} O4 1370 -1 7 {} N 0.0 {0.503386 0.55009 0.30486} N8 1371 -1 8 {} O 0.0 {0.496646 0.529562 0.275472} O5 1372 -1 1 {} H 0.0 {0.45564 0.557435 0.287396} H1 1373 -1 1 {} H 0.0 {0.473013 0.55575 0.268326} H2 1374 -1 1 {} H 0.0 {0.461097 0.526912 0.310613} H3 1375 -1 1 {} H 0.0 {0.456025 0.51265 0.313272} H4 1376 -1 1 {} H 0.0 {0.492916 0.498776 0.29658} H5 1377 -1 1 {} H 0.0 {0.482131 0.493774 0.30715} H6 1378 -1 1 {} H 0.0 {0.485038 0.50437 0.433468} H7 1379 -1 1 {} H 0.0 {0.498515 0.514927 0.436957} H8 1380 -1 1 {} H 0.0 {0.519316 0.521635 0.330119} H9 1381 -1 1 {} H 0.0 {0.518953 0.532569 0.318469} H10 1382 -1 1 {} H 0.0 {0.509227 0.492274 0.32181} H11 1383 -1 1 {} H 0.0 {0.499942 0.502212 0.331244} H12 1384 -1 1 {} H 0.0 {0.514767 0.515985 0.291038} H13 1385 -1 1 {} H 0.0 {0.524947 0.513993 0.302301} H14 1386 -1 1 {} H 0.0 {0.43103 0.515326 0.268612} H15 1387 -1 1 {} H 0.0 {0.472832 0.502958 0.274754} H16 1388 -1 1 {} H 0.0 {0.410986 0.488963 0.258197} H17 1389 -1 1 {} H 0.0 {0.457861 0.501894 0.283944} H18 1390 -1 1 {} H 0.0 {0.451477 0.530436 0.251156} H19 1391 -1 1 {} H 0.0 {0.50103 0.548943 0.31453} H20 1392 -1 1 {} H 0.0 {0.51186 0.544726 0.30431} H21 1393 -1 1 {} H 0.0 {0.604101 0.573214 0.331877} H22 1394 -1 14 {} Si 0.0 {0.612523 0.519303 0.559584} Si1 1395 -1 8 {} O 0.0 {0.610402 0.51778 0.543777} O1 1396 -1 14 {} Si 0.0 {0.607951 0.508646 0.53131} Si2 1397 -1 8 {} O 0.0 {0.617663 0.513371 0.519916} O2 1398 -1 14 {} Si 0.0 {0.622026 0.516958 0.505178} Si3 1399 -1 7 {} N 0.0 {0.642206 0.519282 0.501681} N1 1400 -1 14 {} Si 0.0 {0.647395 0.52537 0.487439} Si4 1401 -1 14 {} Si 0.0 {0.650916 0.511947 0.512863} Si5 1402 -1 7 {} N 0.0 {0.645611 0.544997 0.485921} N2 1403 -1 7 {} N 0.0 {0.635432 0.519536 0.472583} N3 1404 -1 7 {} N 0.0 {0.66359 0.521618 0.481335} N4 1405 -1 7 {} N 0.0 {0.650715 0.493016 0.511849} N5 1406 -1 7 {} N 0.0 {0.670372 0.518334 0.513035} N6 1407 -1 7 {} N 0.0 {0.644129 0.518211 0.530504} N7 1408 -1 8 {} O 0.0 {0.592429 0.520535 0.563358} O3 1409 -1 6 {} C 0.0 {0.625668 0.530135 0.567627} C1 1410 -1 8 {} O 0.0 {0.613237 0.503657 0.563188} O4 1411 -1 7 {} N 0.0 {0.615145 0.529848 0.493943} N8 1412 -1 8 {} O 0.0 {0.620149 0.502983 0.498722} O5 1413 -1 1 {} H 0.0 {0.592611 0.511179 0.52722} H1 1414 -1 1 {} H 0.0 {0.608208 0.493594 0.534523} H2 1415 -1 1 {} H 0.0 {0.654351 0.548024 0.484169} H3 1416 -1 1 {} H 0.0 {0.639826 0.547818 0.478078} H4 1417 -1 1 {} H 0.0 {0.641808 0.516899 0.464911} H5 1418 -1 1 {} H 0.0 {0.631322 0.511505 0.476978} H6 1419 -1 1 {} H 0.0 {0.66892 0.517529 0.489548} H7 1420 -1 1 {} H 0.0 {0.669019 0.529733 0.478847} H8 1421 -1 1 {} H 0.0 {0.660218 0.490641 0.509966} H9 1422 -1 1 {} H 0.0 {0.649352 0.49031 0.521565} H10 1423 -1 1 {} H 0.0 {0.672109 0.516913 0.52305} H11 1424 -1 1 {} H 0.0 {0.671321 0.528173 0.510311} H12 1425 -1 1 {} H 0.0 {0.645314 0.528102 0.528493} H13 1426 -1 1 {} H 0.0 {0.634211 0.516933 0.53093} H14 1427 -1 1 {} H 0.0 {0.588897 0.525129 0.555248} H15 1428 -1 1 {} H 0.0 {0.622889 0.540585 0.567051} H16 1429 -1 1 {} H 0.0 {0.634621 0.528078 0.562805} H17 1430 -1 1 {} H 0.0 {0.626111 0.527707 0.57838} H18 1431 -1 1 {} H 0.0 {0.621564 0.500229 0.559431} H19 1432 -1 1 {} H 0.0 {0.620883 0.538425 0.492181} H20 1433 -1 1 {} H 0.0 {0.61461 0.525479 0.484392} H21 1434 -1 1 {} H 0.0 {0.628999 0.498769 0.496998} H22 1435 -1 14 {} Si 0.0 {0.401249 0.364712 0.586595} Si1 1436 -1 8 {} O 0.0 {0.389028 0.374621 0.588678} O1 1437 -1 14 {} Si 0.0 {0.379955 0.385222 0.596622} Si2 1438 -1 8 {} O 0.0 {0.388934 0.390565 0.608262} O2 1439 -1 14 {} Si 0.0 {0.399629 0.384189 0.618056} Si3 1440 -1 7 {} N 0.0 {0.399593 0.394491 0.63482} N1 1441 -1 14 {} Si 0.0 {0.382377 0.66712 0.463643} Si4 1442 -1 14 {} Si 0.0 {0.383776 0.380977 0.635881} Si5 1443 -1 7 {} N 0.0 {0.392577 0.653201 0.45953} N2 1444 -1 7 {} N 0.0 {0.365723 0.66417 0.460999} N3 1445 -1 7 {} N 0.0 {0.382713 0.669173 0.485054} N4 1446 -1 7 {} N 0.0 {0.367201 0.390515 0.633871} N5 1447 -1 7 {} N 0.0 {0.385201 0.378768 0.654316} N6 1448 -1 7 {} N 0.0 {0.665161 0.638589 0.436918} N7 1449 -1 8 {} O 0.0 {0.400015 0.354713 0.598716} O3 1450 -1 6 {} C 0.0 {0.418222 0.372171 0.579999} C1 1451 -1 8 {} O 0.0 {0.393222 0.354311 0.577571} O4 1452 -1 7 {} N 0.0 {0.417604 0.377543 0.616017} N8 1453 -1 8 {} O 0.0 {0.38567 0.369428 0.626125} O5 1454 -1 1 {} H 0.0 {0.368166 0.376614 0.603981} H1 1455 -1 1 {} H 0.0 {0.371795 0.425921 0.589211} H2 1456 -1 1 {} H 0.0 {0.402056 0.655797 0.459569} H3 1457 -1 1 {} H 0.0 {0.391123 0.646656 0.467402} H4 1458 -1 1 {} H 0.0 {0.406617 0.389147 0.639688} H5 1459 -1 1 {} H 0.0 {0.360854 0.673253 0.462355} H6 1460 -1 1 {} H 0.0 {0.382143 0.659083 0.486244} H7 1461 -1 1 {} H 0.0 {0.37268 0.672852 0.484719} H8 1462 -1 1 {} H 0.0 {0.364378 0.390831 0.643808} H9 1463 -1 1 {} H 0.0 {0.37062 0.400147 0.632325} H10 1464 -1 1 {} H 0.0 {0.394294 0.383389 0.656878} H11 1465 -1 1 {} H 0.0 {0.378549 0.384621 0.658295} H12 1466 -1 1 {} H 0.0 {0.513392 0.298885 0.421361} H13 1467 -1 1 {} H 0.0 {0.395307 0.40033 0.642188} H14 1468 -1 1 {} H 0.0 {0.39312 0.356896 0.605181} H15 1469 -1 1 {} H 0.0 {0.416516 0.373718 0.569393} H16 1470 -1 1 {} H 0.0 {0.42555 0.365025 0.581513} H17 1471 -1 1 {} H 0.0 {0.421165 0.381273 0.583676} H18 1472 -1 1 {} H 0.0 {0.442662 0.362833 0.509343} H19 1473 -1 1 {} H 0.0 {0.415515 0.369114 0.610414} H20 1474 -1 1 {} H 0.0 {0.419045 0.373893 0.62548} H21 1475 -1 1 {} H 0.0 {0.421664 0.566799 0.628962} H22 1476 -1 14 {} Si 0.0 {0.297842 0.357454 0.596419} Si1 1477 -1 8 {} O 0.0 {0.3807 0.666039 0.574516} O1 1478 -1 14 {} Si 0.0 {0.376389 0.659633 0.560634} Si2 1479 -1 8 {} O 0.0 {0.382018 0.669719 0.543006} O2 1480 -1 14 {} Si 0.0 {0.62413 0.634831 0.669939} Si3 1481 -1 7 {} N 0.0 {0.625527 0.650423 0.667114} N1 1482 -1 14 {} Si 0.0 {0.519988 0.39648 0.706653} Si4 1483 -1 14 {} Si 0.0 {0.626564 0.665252 0.673981} Si5 1484 -1 7 {} N 0.0 {0.557284 0.454205 0.757754} N2 1485 -1 7 {} N 0.0 {0.530935 0.390859 0.721208} N3 1486 -1 7 {} N 0.0 {0.440672 0.27648 0.443875} N4 1487 -1 7 {} N 0.0 {0.618488 0.667031 0.69192} N5 1488 -1 7 {} N 0.0 {0.381161 0.632487 0.581923} N6 1489 -1 7 {} N 0.0 {0.623957 0.680467 0.66015} N7 1490 -1 8 {} O 0.0 {0.364852 0.649112 0.563314} O3 1491 -1 6 {} C 0.0 {0.281397 0.358593 0.592132} C1 1492 -1 8 {} O 0.0 {0.304532 0.356652 0.610459} O4 1493 -1 7 {} N 0.0 {0.62275 0.630771 0.688869} N8 1494 -1 8 {} O 0.0 {0.633408 0.624952 0.661496} O5 1495 -1 1 {} H 0.0 {0.386739 0.67232 0.494499} H1 1496 -1 1 {} H 0.0 {0.36168 0.644443 0.555332} H2 1497 -1 1 {} H 0.0 {0.553556 0.463791 0.757732} H3 1498 -1 1 {} H 0.0 {0.557263 0.443827 0.757404} H4 1499 -1 1 {} H 0.0 {0.556515 0.544392 0.696607} H5 1500 -1 1 {} H 0.0 {0.524343 0.390725 0.72891} H6 1501 -1 1 {} H 0.0 {0.443271 0.286356 0.441316} H7 1502 -1 1 {} H 0.0 {0.448829 0.270769 0.442132} H8 1503 -1 1 {} H 0.0 {0.619506 0.656956 0.694702} H9 1504 -1 1 {} H 0.0 {0.609762 0.668116 0.686947} H10 1505 -1 1 {} H 0.0 {0.379619 0.62272 0.579833} H11 1506 -1 1 {} H 0.0 {0.374775 0.638005 0.576047} H12 1507 -1 1 {} H 0.0 {0.614952 0.681554 0.664977} H13 1508 -1 1 {} H 0.0 {0.623423 0.673329 0.65316} H14 1509 -1 1 {} H 0.0 {0.488102 0.372085 0.572281} H15 1510 -1 1 {} H 0.0 {0.668982 0.570865 0.365148} H16 1511 -1 1 {} H 0.0 {0.275685 0.354379 0.599891} H17 1512 -1 1 {} H 0.0 {0.267002 0.391765 0.581285} H18 1513 -1 1 {} H 0.0 {0.299913 0.361752 0.617408} H19 1514 -1 1 {} H 0.0 {0.619876 0.621353 0.687182} H20 1515 -1 1 {} H 0.0 {0.614689 0.636021 0.691776} H21 1516 -1 1 {} H 0.0 {0.632019 0.616324 0.665222} H22 1517 -1 14 {} Si 0.0 {0.358854 0.471376 0.40979} Si1 1518 -1 8 {} O 0.0 {0.365086 0.460188 0.399417} O1 1519 -1 14 {} Si 0.0 {0.376297 0.456077 0.388753} Si2 1520 -1 8 {} O 0.0 {0.388757 0.459698 0.397704} O2 1521 -1 14 {} Si 0.0 {0.404184 0.462547 0.398114} Si3 1522 -1 7 {} N 0.0 {0.409324 0.470947 0.415151} N1 1523 -1 14 {} Si 0.0 {0.41078 0.486108 0.420971} Si4 1524 -1 14 {} Si 0.0 {0.410589 0.459751 0.427221} Si5 1525 -1 7 {} N 0.0 {0.410123 0.487173 0.44139} N2 1526 -1 7 {} N 0.0 {0.396727 0.496856 0.413576} N3 1527 -1 7 {} N 0.0 {0.427235 0.492997 0.413689} N4 1528 -1 7 {} N 0.0 {0.394525 0.459163 0.440059} N5 1529 -1 7 {} N 0.0 {0.410793 0.441718 0.419739} N6 1530 -1 7 {} N 0.0 {0.426993 0.461364 0.438273} N7 1531 -1 8 {} O 0.0 {0.367407 0.483212 0.405815} O3 1532 -1 6 {} C 0.0 {0.354192 0.466331 0.426109} C1 1533 -1 8 {} O 0.0 {0.342131 0.477491 0.397098} O4 1534 -1 7 {} N 0.0 {0.416641 0.472204 0.386691} N8 1535 -1 8 {} O 0.0 {0.406991 0.447755 0.392572} O5 1536 -1 1 {} H 0.0 {0.376248 0.46308 0.364577} H1 1537 -1 1 {} H 0.0 {0.374724 0.437451 0.386281} H2 1538 -1 1 {} H 0.0 {0.411518 0.477396 0.442974} H3 1539 -1 1 {} H 0.0 {0.400047 0.490028 0.44389} H4 1540 -1 1 {} H 0.0 {0.392771 0.502404 0.421124} H5 1541 -1 1 {} H 0.0 {0.389139 0.490191 0.410992} H6 1542 -1 1 {} H 0.0 {0.434785 0.485995 0.412468} H7 1543 -1 1 {} H 0.0 {0.430691 0.497985 0.422238} H8 1544 -1 1 {} H 0.0 {0.395969 0.468784 0.443475} H9 1545 -1 1 {} H 0.0 {0.397085 0.453487 0.448114} H10 1546 -1 1 {} H 0.0 {0.405172 0.436542 0.425592} H11 1547 -1 1 {} H 0.0 {0.420737 0.440681 0.421069} H12 1548 -1 1 {} H 0.0 {0.430556 0.451743 0.438046} H13 1549 -1 1 {} H 0.0 {0.431829 0.466323 0.430867} H14 1550 -1 1 {} H 0.0 {0.370718 0.482961 0.396421} H15 1551 -1 1 {} H 0.0 {0.354549 0.491922 0.439977} H16 1552 -1 1 {} H 0.0 {0.347903 0.457427 0.424763} H17 1553 -1 1 {} H 0.0 {0.350053 0.474389 0.431587} H18 1554 -1 1 {} H 0.0 {0.347421 0.479925 0.38888} H19 1555 -1 1 {} H 0.0 {0.411688 0.474114 0.378543} H20 1556 -1 1 {} H 0.0 {0.416346 0.481045 0.392211} H21 1557 -1 1 {} H 0.0 {0.40632 0.441551 0.399649} H22 1558 -1 14 {} Si 0.0 {0.345276 0.651575 0.394779} Si1 1559 -1 8 {} O 0.0 {0.344644 0.657577 0.409507} O1 1560 -1 14 {} Si 0.0 {0.338644 0.664384 0.42283} Si2 1561 -1 8 {} O 0.0 {0.336168 0.651685 0.432025} O2 1562 -1 14 {} Si 0.0 {0.329759 0.646996 0.444905} Si3 1563 -1 7 {} N 0.0 {0.365933 0.635974 0.475894} N1 1564 -1 14 {} Si 0.0 {0.350464 0.63764 0.479517} Si4 1565 -1 14 {} Si 0.0 {0.376436 0.627018 0.483809} Si5 1566 -1 7 {} N 0.0 {0.340224 0.623006 0.48527} N2 1567 -1 7 {} N 0.0 {0.340518 0.644028 0.462686} N3 1568 -1 7 {} N 0.0 {0.346362 0.65222 0.492689} N4 1569 -1 7 {} N 0.0 {0.386222 0.615923 0.471824} N5 1570 -1 7 {} N 0.0 {0.391912 0.636961 0.492036} N6 1571 -1 7 {} N 0.0 {0.370116 0.616634 0.498598} N7 1572 -1 8 {} O 0.0 {0.350141 0.630816 0.388168} O3 1573 -1 6 {} C 0.0 {0.335624 0.638819 0.389521} C1 1574 -1 8 {} O 0.0 {0.351702 0.662914 0.384985} O4 1575 -1 7 {} N 0.0 {0.32477 0.626323 0.443245} N8 1576 -1 8 {} O 0.0 {0.322958 0.660791 0.44855} O5 1577 -1 1 {} H 0.0 {0.326099 0.670128 0.418996} H1 1578 -1 1 {} H 0.0 {0.34925 0.67538 0.430015} H2 1579 -1 1 {} H 0.0 {0.330851 0.626068 0.483826} H3 1580 -1 1 {} H 0.0 {0.343288 0.622305 0.494862} H4 1581 -1 1 {} H 0.0 {0.336492 0.652439 0.46798} H5 1582 -1 1 {} H 0.0 {0.349176 0.648218 0.457869} H6 1583 -1 1 {} H 0.0 {0.337904 0.656225 0.488879} H7 1584 -1 1 {} H 0.0 {0.353346 0.659983 0.492106} H8 1585 -1 1 {} H 0.0 {0.393935 0.622141 0.471216} H9 1586 -1 1 {} H 0.0 {0.388397 0.608875 0.479415} H10 1587 -1 1 {} H 0.0 {0.397281 0.629067 0.494185} H11 1588 -1 1 {} H 0.0 {0.39617 0.640719 0.4837} H12 1589 -1 1 {} H 0.0 {0.371204 0.607607 0.494371} H13 1590 -1 1 {} H 0.0 {0.359936 0.618949 0.498723} H14 1591 -1 1 {} H 0.0 {0.350106 0.624161 0.396197} H15 1592 -1 1 {} H 0.0 {0.714815 0.495719 0.364099} H16 1593 -1 1 {} H 0.0 {0.325547 0.636194 0.389666} H17 1594 -1 1 {} H 0.0 {0.408189 0.643035 0.405519} H18 1595 -1 1 {} H 0.0 {0.359097 0.667015 0.389954} H19 1596 -1 1 {} H 0.0 {0.333812 0.625134 0.44835} H20 1597 -1 1 {} H 0.0 {0.325726 0.624241 0.433769} H21 1598 -1 1 {} H 0.0 {0.314506 0.662077 0.442927} H22 1599 -1 14 {} Si 0.0 {0.48267 0.590556 0.496686} Si1 1600 -1 8 {} O 0.0 {0.483339 0.584759 0.48063} O1 1601 -1 14 {} Si 0.0 {0.477992 0.590211 0.466149} Si2 1602 -1 8 {} O 0.0 {0.467179 0.579016 0.462747} O2 1603 -1 14 {} Si 0.0 {0.457962 0.571511 0.452345} Si3 1604 -1 7 {} N 0.0 {0.459553 0.552371 0.455462} N1 1605 -1 14 {} Si 0.0 {0.456249 0.545954 0.470933} Si4 1606 -1 14 {} Si 0.0 {0.463677 0.539199 0.446528} Si5 1607 -1 7 {} N 0.0 {0.456638 0.53028 0.473375} N2 1608 -1 7 {} N 0.0 {0.43836 0.55117 0.474385} N3 1609 -1 7 {} N 0.0 {0.467145 0.555949 0.482952} N4 1610 -1 7 {} N 0.0 {0.471225 0.546916 0.429386} N5 1611 -1 7 {} N 0.0 {0.47864 0.528766 0.45182} N6 1612 -1 7 {} N 0.0 {0.45017 0.526934 0.440555} N7 1613 -1 8 {} O 0.0 {0.495882 0.584052 0.502394} O3 1614 -1 6 {} C 0.0 {0.47683 0.608157 0.499819} C1 1615 -1 8 {} O 0.0 {0.473249 0.578396 0.503759} O4 1616 -1 7 {} N 0.0 {0.458827 0.575081 0.434211} N8 1617 -1 8 {} O 0.0 {0.44508 0.577072 0.458888} O5 1618 -1 1 {} H 0.0 {0.489361 0.588113 0.457814} H1 1619 -1 1 {} H 0.0 {0.481661 0.669652 0.48696} H2 1620 -1 1 {} H 0.0 {0.452674 0.510466 0.522825} H3 1621 -1 1 {} H 0.0 {0.461821 0.525838 0.466033} H4 1622 -1 1 {} H 0.0 {0.43984 0.559604 0.480309} H5 1623 -1 1 {} H 0.0 {0.434389 0.54402 0.480324} H6 1624 -1 1 {} H 0.0 {0.468151 0.563998 0.476961} H7 1625 -1 1 {} H 0.0 {0.475623 0.550587 0.481205} H8 1626 -1 1 {} H 0.0 {0.474349 0.555901 0.433131} H9 1627 -1 1 {} H 0.0 {0.479866 0.541095 0.430301} H10 1628 -1 1 {} H 0.0 {0.481264 0.529414 0.461691} H11 1629 -1 1 {} H 0.0 {0.486574 0.53007 0.446154} H12 1630 -1 1 {} H 0.0 {0.441598 0.531429 0.444049} H13 1631 -1 1 {} H 0.0 {0.45 0.529087 0.430733} H14 1632 -1 1 {} H 0.0 {0.499105 0.578471 0.495363} H15 1633 -1 1 {} H 0.0 {0.469157 0.607956 0.506321} H16 1634 -1 1 {} H 0.0 {0.474717 0.612928 0.490736} H17 1635 -1 1 {} H 0.0 {0.484479 0.613672 0.505804} H18 1636 -1 1 {} H 0.0 {0.473173 0.571197 0.497687} H19 1637 -1 1 {} H 0.0 {0.466585 0.581322 0.433035} H20 1638 -1 1 {} H 0.0 {0.451042 0.581576 0.433129} H21 1639 -1 1 {} H 0.0 {0.44024 0.57018 0.463923} H22 1640 -1 14 {} Si 0.0 {0.356149 0.512707 0.534978} Si1 1641 -1 8 {} O 0.0 {0.358044 0.525606 0.525639} O1 1642 -1 14 {} Si 0.0 {0.352785 0.537254 0.516893} Si2 1643 -1 8 {} O 0.0 {0.349998 0.547818 0.528197} O2 1644 -1 14 {} Si 0.0 {0.352902 0.560275 0.5384} Si3 1645 -1 7 {} N 0.0 {0.370451 0.567135 0.543841} N1 1646 -1 14 {} Si 0.0 {0.37557 0.577164 0.532351} Si4 1647 -1 14 {} Si 0.0 {0.378928 0.571849 0.557053} Si5 1648 -1 7 {} N 0.0 {0.372615 0.595917 0.529476} N2 1649 -1 7 {} N 0.0 {0.3876 0.569468 0.521729} N3 1650 -1 7 {} N 0.0 {0.436468 0.532567 0.595799} N4 1651 -1 7 {} N 0.0 {0.385504 0.554717 0.566258} N5 1652 -1 7 {} N 0.0 {0.395269 0.582244 0.553673} N6 1653 -1 7 {} N 0.0 {0.366153 0.580976 0.570033} N7 1654 -1 8 {} O 0.0 {0.352144 0.50395 0.522438} O3 1655 -1 6 {} C 0.0 {0.364975 0.508851 0.549428} C1 1656 -1 8 {} O 0.0 {0.354984 0.505134 0.563848} O4 1657 -1 7 {} N 0.0 {0.359574 0.543523 0.501681} N8 1658 -1 8 {} O 0.0 {0.34511 0.571692 0.530541} O5 1659 -1 1 {} H 0.0 {0.33817 0.532252 0.51055} H1 1660 -1 1 {} H 0.0 {0.427595 0.373624 0.35027} H2 1661 -1 1 {} H 0.0 {0.380064 0.601484 0.533835} H3 1662 -1 1 {} H 0.0 {0.373629 0.596999 0.519908} H4 1663 -1 1 {} H 0.0 {0.392078 0.577624 0.517361} H5 1664 -1 1 {} H 0.0 {0.383216 0.564356 0.514165} H6 1665 -1 1 {} H 0.0 {0.435623 0.541237 0.601002} H7 1666 -1 1 {} H 0.0 {0.430613 0.533906 0.587297} H8 1667 -1 1 {} H 0.0 {0.39062 0.551709 0.557698} H9 1668 -1 1 {} H 0.0 {0.376437 0.549874 0.564791} H10 1669 -1 1 {} H 0.0 {0.40108 0.576205 0.54793} H11 1670 -1 1 {} H 0.0 {0.393221 0.590391 0.547882} H12 1671 -1 1 {} H 0.0 {0.357404 0.57964 0.564031} H13 1672 -1 1 {} H 0.0 {0.364126 0.574616 0.578249} H14 1673 -1 1 {} H 0.0 {0.359815 0.498009 0.520819} H15 1674 -1 1 {} H 0.0 {0.294199 0.457779 0.498682} H16 1675 -1 1 {} H 0.0 {0.374157 0.504298 0.546126} H17 1676 -1 1 {} H 0.0 {0.338992 0.515768 0.541406} H18 1677 -1 1 {} H 0.0 {0.362371 0.511421 0.571085} H19 1678 -1 1 {} H 0.0 {0.369458 0.539502 0.502413} H20 1679 -1 1 {} H 0.0 {0.354867 0.539011 0.494159} H21 1680 -1 1 {} H 0.0 {0.326154 0.576797 0.543299} H22 1681 -1 14 {} Si 0.0 {0.318527 0.683992 0.484926} Si1 1682 -1 8 {} O 0.0 {0.308135 0.672592 0.485} O1 1683 -1 14 {} Si 0.0 {0.294609 0.668023 0.489919} Si2 1684 -1 8 {} O 0.0 {0.288901 0.68162 0.495884} O2 1685 -1 14 {} Si 0.0 {0.283447 0.689301 0.5087} Si3 1686 -1 7 {} N 0.0 {0.275619 0.676862 0.521584} N1 1687 -1 14 {} Si 0.0 {0.28578 0.671992 0.537169} Si4 1688 -1 14 {} Si 0.0 {0.262167 0.668293 0.521111} Si5 1689 -1 7 {} N 0.0 {0.301472 0.672996 0.534135} N2 1690 -1 7 {} N 0.0 {0.283262 0.652728 0.54392} N3 1691 -1 7 {} N 0.0 {0.279394 0.682461 0.552666} N4 1692 -1 7 {} N 0.0 {0.264751 0.650187 0.515038} N5 1693 -1 7 {} N 0.0 {0.253604 0.668429 0.538318} N6 1694 -1 7 {} N 0.0 {0.250527 0.67666 0.508414} N7 1695 -1 8 {} O 0.0 {0.332421 0.672462 0.472972} O3 1696 -1 6 {} C 0.0 {0.325629 0.69251 0.499607} C1 1697 -1 8 {} O 0.0 {0.313263 0.691242 0.471872} O4 1698 -1 7 {} N 0.0 {0.27104 0.701616 0.506331} N8 1699 -1 8 {} O 0.0 {0.297971 0.693021 0.512814} O5 1700 -1 1 {} H 0.0 {0.296738 0.657135 0.503431} H1 1701 -1 1 {} H 0.0 {0.28649 0.663926 0.477939} H2 1702 -1 1 {} H 0.0 {0.304613 0.436952 0.628445} H3 1703 -1 1 {} H 0.0 {0.303552 0.437072 0.635712} H4 1704 -1 1 {} H 0.0 {0.287684 0.654105 0.553479} H5 1705 -1 1 {} H 0.0 {0.290478 0.64903 0.537696} H6 1706 -1 1 {} H 0.0 {0.287552 0.687784 0.554388} H7 1707 -1 1 {} H 0.0 {0.273113 0.688316 0.547167} H8 1708 -1 1 {} H 0.0 {0.274598 0.649433 0.512495} H9 1709 -1 1 {} H 0.0 {0.264343 0.64449 0.524006} H10 1710 -1 1 {} H 0.0 {0.252491 0.678188 0.539976} H11 1711 -1 1 {} H 0.0 {0.261485 0.664767 0.544136} H12 1712 -1 1 {} H 0.0 {0.241054 0.67319 0.511612} H13 1713 -1 1 {} H 0.0 {0.250623 0.686548 0.51143} H14 1714 -1 1 {} H 0.0 {0.339243 0.679487 0.470536} H15 1715 -1 1 {} H 0.0 {0.332518 0.685865 0.505836} H16 1716 -1 1 {} H 0.0 {0.318361 0.695985 0.50628} H17 1717 -1 1 {} H 0.0 {0.330817 0.701082 0.496361} H18 1718 -1 1 {} H 0.0 {0.304902 0.686893 0.469002} H19 1719 -1 1 {} H 0.0 {0.274516 0.709852 0.501913} H20 1720 -1 1 {} H 0.0 {0.263104 0.69833 0.500299} H21 1721 -1 1 {} H 0.0 {0.301947 0.687192 0.519703} H22 1722 -1 14 {} Si 0.0 {0.608025 0.459133 0.323635} Si1 1723 -1 8 {} O 0.0 {0.615131 0.444696 0.325728} O1 1724 -1 14 {} Si 0.0 {0.617167 0.428303 0.323772} Si2 1725 -1 8 {} O 0.0 {0.616282 0.424806 0.339797} O2 1726 -1 14 {} Si 0.0 {0.607595 0.423287 0.353575} Si3 1727 -1 7 {} N 0.0 {0.603352 0.436995 0.360088} N1 1728 -1 14 {} Si 0.0 {0.595701 0.453926 0.383088} Si4 1729 -1 14 {} Si 0.0 {0.575069 0.441136 0.371924} Si5 1730 -1 7 {} N 0.0 {0.583018 0.461426 0.395863} N2 1731 -1 7 {} N 0.0 {0.59527 0.437415 0.372791} N3 1732 -1 7 {} N 0.0 {0.603242 0.46747 0.373945} N4 1733 -1 7 {} N 0.0 {0.569852 0.430275 0.387334} N5 1734 -1 7 {} N 0.0 {0.574509 0.459692 0.367759} N6 1735 -1 7 {} N 0.0 {0.573413 0.432814 0.355291} N7 1736 -1 8 {} O 0.0 {0.601133 0.46151 0.344433} O3 1737 -1 6 {} C 0.0 {0.597643 0.464943 0.311498} C1 1738 -1 8 {} O 0.0 {0.62147 0.46776 0.326084} O4 1739 -1 7 {} N 0.0 {0.617722 0.411378 0.366008} N8 1740 -1 8 {} O 0.0 {0.595863 0.412702 0.390794} O5 1741 -1 1 {} H 0.0 {0.529698 0.639744 0.254322} H1 1742 -1 1 {} H 0.0 {0.592095 0.42101 0.324381} H2 1743 -1 1 {} H 0.0 {0.57633 0.465692 0.389343} H3 1744 -1 1 {} H 0.0 {0.587733 0.468989 0.400241} H4 1745 -1 1 {} H 0.0 {0.594542 0.42834 0.377542} H5 1746 -1 1 {} H 0.0 {0.601503 0.411544 0.403291} H6 1747 -1 1 {} H 0.0 {0.601513 0.464986 0.364125} H7 1748 -1 1 {} H 0.0 {0.597764 0.475647 0.375962} H8 1749 -1 1 {} H 0.0 {0.575457 0.436054 0.392982} H9 1750 -1 1 {} H 0.0 {0.576243 0.421751 0.386826} H10 1751 -1 1 {} H 0.0 {0.567306 0.458716 0.360522} H11 1752 -1 1 {} H 0.0 {0.582949 0.460439 0.362059} H12 1753 -1 1 {} H 0.0 {0.565569 0.438314 0.351545} H13 1754 -1 1 {} H 0.0 {0.581242 0.436164 0.349413} H14 1755 -1 1 {} H 0.0 {0.599622 0.452194 0.347992} H15 1756 -1 1 {} H 0.0 {0.601772 0.47345 0.306156} H16 1757 -1 1 {} H 0.0 {0.594245 0.457029 0.305187} H17 1758 -1 1 {} H 0.0 {0.497798 0.529396 0.667952} H18 1759 -1 1 {} H 0.0 {0.534673 0.636908 0.249305} H19 1760 -1 1 {} H 0.0 {0.614432 0.40259 0.361668} H20 1761 -1 1 {} H 0.0 {0.626965 0.412887 0.362197} H21 1762 -1 1 {} H 0.0 {0.602847 0.412346 0.384222} H22 1763 -1 14 {} Si 0.0 {0.612057 0.575065 0.479644} Si1 1764 -1 8 {} O 0.0 {0.62557 0.581776 0.475139} O1 1765 -1 14 {} Si 0.0 {0.634762 0.594612 0.473548} Si2 1766 -1 8 {} O 0.0 {0.641532 0.588249 0.460934} O2 1767 -1 14 {} Si 0.0 {0.642099 0.580344 0.447943} Si3 1768 -1 7 {} N 0.0 {0.647353 0.564609 0.447438} N1 1769 -1 14 {} Si 0.0 {0.663423 0.554138 0.452459} Si4 1770 -1 14 {} Si 0.0 {0.640246 0.54926 0.44645} Si5 1771 -1 7 {} N 0.0 {0.669433 0.559695 0.470302} N2 1772 -1 7 {} N 0.0 {0.67543 0.553114 0.441325} N3 1773 -1 7 {} N 0.0 {0.653479 0.535345 0.454322} N4 1774 -1 7 {} N 0.0 {0.624373 0.54651 0.457595} N5 1775 -1 7 {} N 0.0 {0.635182 0.543649 0.429162} N6 1776 -1 7 {} N 0.0 {0.618606 0.517851 0.442787} N7 1777 -1 8 {} O 0.0 {0.600197 0.593521 0.480604} O3 1778 -1 6 {} C 0.0 {0.611601 0.564336 0.493899} C1 1779 -1 8 {} O 0.0 {0.607003 0.571708 0.465185} O4 1780 -1 7 {} N 0.0 {0.653108 0.588476 0.435103} N8 1781 -1 8 {} O 0.0 {0.621662 0.580788 0.442091} O5 1782 -1 1 {} H 0.0 {0.644471 0.594889 0.485681} H1 1783 -1 1 {} H 0.0 {0.596453 0.602372 0.44836} H2 1784 -1 1 {} H 0.0 {0.679042 0.56064 0.468461} H3 1785 -1 1 {} H 0.0 {0.665735 0.569187 0.469516} H4 1786 -1 1 {} H 0.0 {0.596794 0.538285 0.497063} H5 1787 -1 1 {} H 0.0 {0.675436 0.544238 0.435988} H6 1788 -1 1 {} H 0.0 {0.652063 0.535813 0.464319} H7 1789 -1 1 {} H 0.0 {0.660645 0.52794 0.452974} H8 1790 -1 1 {} H 0.0 {0.624818 0.537467 0.461484} H9 1791 -1 1 {} H 0.0 {0.617813 0.545452 0.449735} H10 1792 -1 1 {} H 0.0 {0.626963 0.548801 0.426615} H11 1793 -1 1 {} H 0.0 {0.642473 0.543679 0.421726} H12 1794 -1 1 {} H 0.0 {0.624019 0.526886 0.441191} H13 1795 -1 1 {} H 0.0 {0.608918 0.519013 0.439688} H14 1796 -1 1 {} H 0.0 {0.60757 0.599944 0.479775} H15 1797 -1 1 {} H 0.0 {0.59887 0.557559 0.493362} H16 1798 -1 1 {} H 0.0 {0.613189 0.570352 0.502604} H17 1799 -1 1 {} H 0.0 {0.618563 0.556473 0.4928} H18 1800 -1 1 {} H 0.0 {0.61254 0.564247 0.461045} H19 1801 -1 1 {} H 0.0 {0.662033 0.583825 0.432968} H20 1802 -1 1 {} H 0.0 {0.655848 0.59727 0.439516} H21 1803 -1 1 {} H 0.0 {0.61682 0.582448 0.45113} H22 1804 -1 14 {} Si 0.0 {0.425202 0.604076 0.616364} Si1 1805 -1 8 {} O 0.0 {0.410505 0.599558 0.615695} O1 1806 -1 14 {} Si 0.0 {0.397398 0.602572 0.622918} Si2 1807 -1 8 {} O 0.0 {0.389143 0.606029 0.61044} O2 1808 -1 14 {} Si 0.0 {0.384731 0.59725 0.59875} Si3 1809 -1 7 {} N 0.0 {0.370327 0.600842 0.591246} N1 1810 -1 14 {} Si 0.0 {0.360527 0.599177 0.577949} Si4 1811 -1 14 {} Si 0.0 {0.361111 0.607245 0.602972} Si5 1812 -1 7 {} N 0.0 {0.340061 0.596477 0.578644} N2 1813 -1 7 {} N 0.0 {0.363189 0.61205 0.563223} N3 1814 -1 7 {} N 0.0 {0.42338 0.508232 0.252559} N4 1815 -1 7 {} N 0.0 {0.538876 0.506189 0.330896} N5 1816 -1 7 {} N 0.0 {0.353185 0.625128 0.597397} N6 1817 -1 7 {} N 0.0 {0.347595 0.596231 0.609003} N7 1818 -1 8 {} O 0.0 {0.425978 0.607253 0.631647} O3 1819 -1 6 {} C 0.0 {0.588663 0.442851 0.745675} C1 1820 -1 8 {} O 0.0 {0.394365 0.587163 0.626118} O4 1821 -1 7 {} N 0.0 {0.388079 0.577257 0.595258} N8 1822 -1 8 {} O 0.0 {0.391144 0.599065 0.212133} O5 1823 -1 1 {} H 0.0 {0.326871 0.646576 0.577048} H1 1824 -1 1 {} H 0.0 {0.370354 0.607934 0.204704} H2 1825 -1 1 {} H 0.0 {0.34085 0.592173 0.587863} H3 1826 -1 1 {} H 0.0 {0.337627 0.606565 0.579587} H4 1827 -1 1 {} H 0.0 {0.373142 0.613208 0.563692} H5 1828 -1 1 {} H 0.0 {0.361342 0.606575 0.554732} H6 1829 -1 1 {} H 0.0 {0.430498 0.510026 0.2458} H7 1830 -1 1 {} H 0.0 {0.41578 0.514753 0.25131} H8 1831 -1 1 {} H 0.0 {0.544191 0.506829 0.322251} H9 1832 -1 1 {} H 0.0 {0.54414 0.508337 0.339641} H10 1833 -1 1 {} H 0.0 {0.360279 0.631837 0.598992} H11 1834 -1 1 {} H 0.0 {0.352739 0.62417 0.586894} H12 1835 -1 1 {} H 0.0 {0.346576 0.587803 0.60392} H13 1836 -1 1 {} H 0.0 {0.338979 0.601672 0.607037} H14 1837 -1 1 {} H 0.0 {0.432691 0.601986 0.635484} H15 1838 -1 1 {} H 0.0 {0.583401 0.43576 0.740643} H16 1839 -1 1 {} H 0.0 {0.595516 0.448489 0.739799} H17 1840 -1 1 {} H 0.0 {0.593381 0.438275 0.753793} H18 1841 -1 1 {} H 0.0 {0.391627 0.58197 0.617524} H19 1842 -1 1 {} H 0.0 {0.457473 0.496439 0.251473} H20 1843 -1 1 {} H 0.0 {0.398197 0.575111 0.595148} H21 1844 -1 1 {} H 0.0 {0.388779 0.590155 0.214694} H22 1845 -1 14 {} Si 0.0 {0.470961 0.623932 0.554144} Si1 1846 -1 8 {} O 0.0 {0.482176 0.613381 0.550121} O1 1847 -1 14 {} Si 0.0 {0.496904 0.614261 0.544202} Si2 1848 -1 8 {} O 0.0 {0.453881 0.675241 0.545912} O2 1849 -1 14 {} Si 0.0 {0.452402 0.712372 0.516679} Si3 1850 -1 7 {} N 0.0 {0.441089 0.714693 0.504991} N1 1851 -1 14 {} Si 0.0 {0.429127 0.722534 0.513419} Si4 1852 -1 14 {} Si 0.0 {0.44943 0.711182 0.491078} Si5 1853 -1 7 {} N 0.0 {0.430128 0.742144 0.512243} N2 1854 -1 7 {} N 0.0 {0.42841 0.717402 0.532201} N3 1855 -1 7 {} N 0.0 {0.413342 0.714067 0.506553} N4 1856 -1 7 {} N 0.0 {0.45075 0.726718 0.479936} N5 1857 -1 7 {} N 0.0 {0.466967 0.702293 0.491715} N6 1858 -1 7 {} N 0.0 {0.437711 0.699244 0.480099} N7 1859 -1 8 {} O 0.0 {0.468739 0.628896 0.516602} O3 1860 -1 6 {} C 0.0 {0.522134 0.6011 0.506785} C1 1861 -1 8 {} O 0.0 {0.355434 0.679239 0.491469} O4 1862 -1 7 {} N 0.0 {0.659567 0.611126 0.414627} N8 1863 -1 8 {} O 0.0 {0.459872 0.695189 0.570124} O5 1864 -1 1 {} H 0.0 {0.446448 0.531994 0.592145} H1 1865 -1 1 {} H 0.0 {0.325844 0.256531 0.457526} H2 1866 -1 1 {} H 0.0 {0.440781 0.742453 0.512195} H3 1867 -1 1 {} H 0.0 {0.427042 0.744837 0.521712} H4 1868 -1 1 {} H 0.0 {0.433126 0.708494 0.532225} H5 1869 -1 1 {} H 0.0 {0.418702 0.71416 0.532655} H6 1870 -1 1 {} H 0.0 {0.411101 0.708068 0.514379} H7 1871 -1 1 {} H 0.0 {0.417876 0.708907 0.499149} H8 1872 -1 1 {} H 0.0 {0.441834 0.72806 0.47547} H9 1873 -1 1 {} H 0.0 {0.456865 0.723332 0.472565} H10 1874 -1 1 {} H 0.0 {0.463378 0.695513 0.484489} H11 1875 -1 1 {} H 0.0 {0.465275 0.697851 0.50043} H12 1876 -1 1 {} H 0.0 {0.429605 0.705094 0.479565} H13 1877 -1 1 {} H 0.0 {0.434562 0.692238 0.487239} H14 1878 -1 1 {} H 0.0 {0.471151 0.633203 0.506955} H15 1879 -1 1 {} H 0.0 {0.514467 0.594484 0.510067} H16 1880 -1 1 {} H 0.0 {0.525506 0.597978 0.497327} H17 1881 -1 1 {} H 0.0 {0.531036 0.601575 0.512574} H18 1882 -1 1 {} H 0.0 {0.458588 0.631536 0.516804} H19 1883 -1 1 {} H 0.0 {0.654953 0.618143 0.420691} H20 1884 -1 1 {} H 0.0 {0.652968 0.603007 0.413081} H21 1885 -1 1 {} H 0.0 {0.457965 0.685259 0.57031} H22 1886 -1 14 {} Si 0.0 {0.615758 0.444093 0.464138} Si1 1887 -1 8 {} O 0.0 {0.622514 0.454822 0.480328} O1 1888 -1 14 {} Si 0.0 {0.623525 0.452271 0.495155} Si2 1889 -1 8 {} O 0.0 {0.610317 0.443935 0.498753} O2 1890 -1 14 {} Si 0.0 {0.603257 0.430694 0.503578} Si3 1891 -1 7 {} N 0.0 {0.585543 0.428545 0.49569} N1 1892 -1 14 {} Si 0.0 {0.581723 0.414497 0.488183} Si4 1893 -1 14 {} Si 0.0 {0.576275 0.441768 0.493512} Si5 1894 -1 7 {} N 0.0 {0.591156 0.408811 0.472311} N2 1895 -1 7 {} N 0.0 {0.563462 0.417239 0.48167} N3 1896 -1 7 {} N 0.0 {0.582419 0.399932 0.501017} N4 1897 -1 7 {} N 0.0 {0.558105 0.43975 0.501457} N5 1898 -1 7 {} N 0.0 {0.585089 0.457995 0.503106} N6 1899 -1 7 {} N 0.0 {0.574023 0.447488 0.475255} N7 1900 -1 8 {} O 0.0 {0.629807 0.441017 0.457852} O3 1901 -1 6 {} C 0.0 {0.624719 0.472476 0.480553} C1 1902 -1 8 {} O 0.0 {0.611861 0.42981 0.469055} O4 1903 -1 7 {} N 0.0 {0.601698 0.428854 0.522913} N8 1904 -1 8 {} O 0.0 {0.613608 0.420783 0.496487} O5 1905 -1 1 {} H 0.0 {0.633979 0.500106 0.447246} H1 1906 -1 1 {} H 0.0 {0.636337 0.442189 0.494697} H2 1907 -1 1 {} H 0.0 {0.597827 0.416812 0.471647} H3 1908 -1 1 {} H 0.0 {0.59643 0.400629 0.475416} H4 1909 -1 1 {} H 0.0 {0.559525 0.420994 0.490166} H5 1910 -1 1 {} H 0.0 {0.564578 0.42562 0.475431} H6 1911 -1 1 {} H 0.0 {0.584826 0.391038 0.497296} H7 1912 -1 1 {} H 0.0 {0.590174 0.402918 0.506449} H8 1913 -1 1 {} H 0.0 {0.552242 0.445066 0.495241} H9 1914 -1 1 {} H 0.0 {0.559273 0.445555 0.510224} H10 1915 -1 1 {} H 0.0 {0.588323 0.462099 0.494113} H11 1916 -1 1 {} H 0.0 {0.593553 0.452618 0.505872} H12 1917 -1 1 {} H 0.0 {0.580047 0.44148 0.470321} H13 1918 -1 1 {} H 0.0 {0.578869 0.456269 0.475205} H14 1919 -1 1 {} H 0.0 {0.628054 0.436717 0.449144} H15 1920 -1 1 {} H 0.0 {0.615311 0.475875 0.477855} H16 1921 -1 1 {} H 0.0 {0.632152 0.473227 0.473155} H17 1922 -1 1 {} H 0.0 {0.627613 0.477883 0.488888} H18 1923 -1 1 {} H 0.0 {0.61277 0.427977 0.478842} H19 1924 -1 1 {} H 0.0 {0.602913 0.41891 0.522832} H20 1925 -1 1 {} H 0.0 {0.610782 0.431942 0.5256} H21 1926 -1 1 {} H 0.0 {0.616482 0.413428 0.502666} H22 1927 -1 14 {} Si 0.0 {0.68594 0.692383 0.516856} Si1 1928 -1 8 {} O 0.0 {0.391666 0.650774 0.274985} O1 1929 -1 14 {} Si 0.0 {0.683612 0.678488 0.495055} Si2 1930 -1 8 {} O 0.0 {0.678234 0.679025 0.516516} O2 1931 -1 14 {} Si 0.0 {0.688066 0.66379 0.526806} Si3 1932 -1 7 {} N 0.0 {0.6929 0.649813 0.518705} N1 1933 -1 14 {} Si 0.0 {0.710341 0.641528 0.516935} Si4 1934 -1 14 {} Si 0.0 {0.686061 0.653277 0.503793} Si5 1935 -1 7 {} N 0.0 {0.714028 0.630014 0.52781} N2 1936 -1 7 {} N 0.0 {0.725342 0.6552 0.516239} N3 1937 -1 7 {} N 0.0 {0.710243 0.633428 0.498727} N4 1938 -1 7 {} N 0.0 {0.691731 0.661772 0.491107} N5 1939 -1 7 {} N 0.0 {0.677622 0.638399 0.498159} N6 1940 -1 7 {} N 0.0 {0.670197 0.482443 0.375866} N7 1941 -1 8 {} O 0.0 {0.425379 0.608105 0.258875} O3 1942 -1 6 {} C 0.0 {0.66946 0.257532 0.542682} C1 1943 -1 8 {} O 0.0 {0.690598 0.691779 0.501834} O4 1944 -1 7 {} N 0.0 {0.680035 0.658923 0.545082} N8 1945 -1 8 {} O 0.0 {0.705389 0.675255 0.528816} O5 1946 -1 1 {} H 0.0 {0.394877 0.640806 0.274179} H1 1947 -1 1 {} H 0.0 {0.421388 0.510252 0.335822} H2 1948 -1 1 {} H 0.0 {0.702055 0.46026 0.549303} H3 1949 -1 1 {} H 0.0 {0.707783 0.621982 0.527064} H4 1950 -1 1 {} H 0.0 {0.730957 0.649923 0.509919} H5 1951 -1 1 {} H 0.0 {0.729299 0.652906 0.524926} H6 1952 -1 1 {} H 0.0 {0.706925 0.624093 0.500449} H7 1953 -1 1 {} H 0.0 {0.702034 0.638717 0.495457} H8 1954 -1 1 {} H 0.0 {0.59288 0.398363 0.658344} H9 1955 -1 1 {} H 0.0 {0.701706 0.661683 0.494084} H10 1956 -1 1 {} H 0.0 {0.685912 0.63248 0.498675} H11 1957 -1 1 {} H 0.0 {0.672814 0.637072 0.50707} H12 1958 -1 1 {} H 0.0 {0.674468 0.473331 0.374052} H13 1959 -1 1 {} H 0.0 {0.665126 0.480258 0.384614} H14 1960 -1 1 {} H 0.0 {0.434299 0.633845 0.30746} H15 1961 -1 1 {} H 0.0 {0.674311 0.26165 0.551232} H16 1962 -1 1 {} H 0.0 {0.670666 0.262865 0.53324} H17 1963 -1 1 {} H 0.0 {0.672152 0.247766 0.540848} H18 1964 -1 1 {} H 0.0 {0.645757 0.617 0.445964} H19 1965 -1 1 {} H 0.0 {0.687834 0.652979 0.547889} H20 1966 -1 1 {} H 0.0 {0.672926 0.652493 0.541638} H21 1967 -1 1 {} H 0.0 {0.711199 0.671866 0.521411} H22 1968 -1 14 {} Si 0.0 {0.479961 0.368043 0.62909} Si1 1969 -1 8 {} O 0.0 {0.480534 0.382577 0.633428} O1 1970 -1 14 {} Si 0.0 {0.471502 0.350958 0.653241} Si2 1971 -1 8 {} O 0.0 {0.48044 0.338661 0.652572} O2 1972 -1 14 {} Si 0.0 {0.508858 0.687877 0.441136} Si3 1973 -1 7 {} N 0.0 {0.520126 0.69498 0.450635} N1 1974 -1 14 {} Si 0.0 {0.533335 0.697957 0.460265} Si4 1975 -1 14 {} Si 0.0 {0.513031 0.7091 0.452402} Si5 1976 -1 7 {} N 0.0 {0.548819 0.700357 0.447486} N2 1977 -1 7 {} N 0.0 {0.539338 0.684142 0.472814} N3 1978 -1 7 {} N 0.0 {0.534503 0.714677 0.470772} N4 1979 -1 7 {} N 0.0 {0.514693 0.725783 0.443367} N5 1980 -1 7 {} N 0.0 {0.563693 0.678196 0.667554} N6 1981 -1 7 {} N 0.0 {0.561838 0.308215 0.602345} N7 1982 -1 8 {} O 0.0 {0.48004 0.359828 0.642553} O3 1983 -1 6 {} C 0.0 {0.491578 0.365121 0.614272} C1 1984 -1 8 {} O 0.0 {0.464355 0.368072 0.625687} O4 1985 -1 7 {} N 0.0 {0.51822 0.679704 0.42627} N8 1986 -1 8 {} O 0.0 {0.491457 0.696525 0.432811} O5 1987 -1 1 {} H 0.0 {0.666933 0.607433 0.420929} H1 1988 -1 1 {} H 0.0 {0.480786 0.70851 0.475444} H2 1989 -1 1 {} H 0.0 {0.542503 0.700211 0.439836} H3 1990 -1 1 {} H 0.0 {0.550655 0.709885 0.449074} H4 1991 -1 1 {} H 0.0 {0.546016 0.689566 0.478786} H5 1992 -1 1 {} H 0.0 {0.544728 0.677363 0.467375} H6 1993 -1 1 {} H 0.0 {0.539762 0.712214 0.479387} H7 1994 -1 1 {} H 0.0 {0.525177 0.717746 0.473459} H8 1995 -1 1 {} H 0.0 {0.512623 0.731652 0.451394} H9 1996 -1 1 {} H 0.0 {0.505539 0.725024 0.43874} H10 1997 -1 1 {} H 0.0 {0.554078 0.676004 0.665526} H11 1998 -1 1 {} H 0.0 {0.568933 0.67946 0.658843} H12 1999 -1 1 {} H 0.0 {0.555651 0.305038 0.610007} H13 2000 -1 1 {} H 0.0 {0.570935 0.30484 0.604578} H14 2001 -1 1 {} H 0.0 {0.567733 0.669316 0.67137} H15 2002 -1 1 {} H 0.0 {0.495119 0.35552 0.615463} H16 2003 -1 1 {} H 0.0 {0.498248 0.373112 0.61283} H17 2004 -1 1 {} H 0.0 {0.484745 0.366075 0.606029} H18 2005 -1 1 {} H 0.0 {0.460255 0.363941 0.633015} H19 2006 -1 1 {} H 0.0 {0.527623 0.679688 0.430136} H20 2007 -1 1 {} H 0.0 {0.515098 0.670045 0.425633} H21 2008 -1 1 {} H 0.0 {0.490607 0.694032 0.422927} H22 2009 -1 14 {} Si 0.0 {0.335173 0.630025 0.564948} Si1 2010 -1 8 {} O 0.0 {0.382571 0.527938 0.574052} O1 2011 -1 14 {} Si 0.0 {0.370481 0.526488 0.56324} Si2 2012 -1 8 {} O 0.0 {0.293347 0.466904 0.502768} O2 2013 -1 14 {} Si 0.0 {0.284697 0.475408 0.522899} Si3 2014 -1 7 {} N 0.0 {0.278454 0.465375 0.533611} N1 2015 -1 14 {} Si 0.0 {0.290147 0.460589 0.543371} Si4 2016 -1 14 {} Si 0.0 {0.307089 0.471139 0.509308} Si5 2017 -1 7 {} N 0.0 {0.297323 0.444116 0.535377} N2 2018 -1 7 {} N 0.0 {0.291251 0.335588 0.412307} N3 2019 -1 7 {} N 0.0 {0.28248 0.454564 0.560211} N4 2020 -1 7 {} N 0.0 {0.316958 0.47841 0.495095} N5 2021 -1 7 {} N 0.0 {0.312535 0.516553 0.474114} N6 2022 -1 7 {} N 0.0 {0.411677 0.427095 0.528368} N7 2023 -1 8 {} O 0.0 {0.325213 0.418194 0.647552} O3 2024 -1 6 {} C 0.0 {0.321651 0.621475 0.558551} C1 2025 -1 8 {} O 0.0 {0.313381 0.616527 0.572782} O4 2026 -1 7 {} N 0.0 {0.39221 0.476305 0.468216} N8 2027 -1 8 {} O 0.0 {0.33495 0.464118 0.616869} O5 2028 -1 1 {} H 0.0 {0.305572 0.484035 0.518676} H1 2029 -1 1 {} H 0.0 {0.410376 0.5684 0.608702} H2 2030 -1 1 {} H 0.0 {0.297137 0.439098 0.544441} H3 2031 -1 1 {} H 0.0 {0.294934 0.447653 0.525927} H4 2032 -1 1 {} H 0.0 {0.296003 0.327264 0.415481} H5 2033 -1 1 {} H 0.0 {0.294205 0.336404 0.402797} H6 2034 -1 1 {} H 0.0 {0.278917 0.446003 0.555627} H7 2035 -1 1 {} H 0.0 {0.27441 0.460601 0.558963} H8 2036 -1 1 {} H 0.0 {0.317087 0.474648 0.485516} H9 2037 -1 1 {} H 0.0 {0.326607 0.477555 0.498167} H10 2038 -1 1 {} H 0.0 {0.315365 0.526294 0.475358} H11 2039 -1 1 {} H 0.0 {0.316038 0.514651 0.464802} H12 2040 -1 1 {} H 0.0 {0.412738 0.417506 0.531509} H13 2041 -1 1 {} H 0.0 {0.416116 0.427424 0.519094} H14 2042 -1 1 {} H 0.0 {0.892911 0.329184 0.820692} H15 2043 -1 1 {} H 0.0 {0.324424 0.611994 0.553506} H16 2044 -1 1 {} H 0.0 {0.31671 0.627685 0.552504} H17 2045 -1 1 {} H 0.0 {0.348393 0.62141 0.564824} H18 2046 -1 1 {} H 0.0 {0.304139 0.616663 0.56946} H19 2047 -1 1 {} H 0.0 {0.38503 0.474265 0.461008} H20 2048 -1 1 {} H 0.0 {0.399031 0.468512 0.469301} H21 2049 -1 1 {} H 0.0 {0.593324 0.689964 0.0957618} H22 2050 -1 14 {} Si 0.0 {0.415604 0.416449 0.683043} Si1 2051 -1 8 {} O 0.0 {0.429223 0.409013 0.681804} O1 2052 -1 14 {} Si 0.0 {0.440388 0.397708 0.684026} Si2 2053 -1 8 {} O 0.0 {0.43926 0.394194 0.668861} O2 2054 -1 14 {} Si 0.0 {0.433126 0.382216 0.659287} Si3 2055 -1 7 {} N 0.0 {0.439138 0.366414 0.66157} N1 2056 -1 14 {} Si 0.0 {0.437588 0.353451 0.65078} Si4 2057 -1 14 {} Si 0.0 {0.452168 0.363323 0.676246} Si5 2058 -1 7 {} N 0.0 {0.430315 0.357978 0.637813} N2 2059 -1 7 {} N 0.0 {0.427021 0.341861 0.660669} N3 2060 -1 7 {} N 0.0 {0.452518 0.347209 0.648185} N4 2061 -1 7 {} N 0.0 {0.447002 0.352241 0.685714} N5 2062 -1 7 {} N 0.0 {0.469279 0.357202 0.668531} N6 2063 -1 7 {} N 0.0 {0.453871 0.380652 0.686993} N7 2064 -1 8 {} O 0.0 {0.407057 0.406706 0.673737} O3 2065 -1 6 {} C 0.0 {0.411673 0.433383 0.699407} C1 2066 -1 8 {} O 0.0 {0.410364 0.404672 0.6999} O4 2067 -1 7 {} N 0.0 {0.439232 0.386193 0.641308} N8 2068 -1 8 {} O 0.0 {0.417918 0.385166 0.660285} O5 2069 -1 1 {} H 0.0 {0.432073 0.384222 0.690564} H1 2070 -1 1 {} H 0.0 {0.480187 0.425462 0.674945} H2 2071 -1 1 {} H 0.0 {0.428332 0.352541 0.629475} H3 2072 -1 1 {} H 0.0 {0.649279 0.328063 0.553788} H4 2073 -1 1 {} H 0.0 {0.417943 0.346045 0.661382} H5 2074 -1 1 {} H 0.0 {0.43058 0.342234 0.670223} H6 2075 -1 1 {} H 0.0 {0.366977 0.655808 0.592496} H7 2076 -1 1 {} H 0.0 {0.4528 0.337809 0.64581} H8 2077 -1 1 {} H 0.0 {0.364585 0.656304 0.58556} H9 2078 -1 1 {} H 0.0 {0.532675 0.608422 0.651171} H10 2079 -1 1 {} H 0.0 {0.471253 0.350097 0.675533} H11 2080 -1 1 {} H 0.0 {0.495002 0.720333 0.507094} H12 2081 -1 1 {} H 0.0 {0.451176 0.377554 0.696239} H13 2082 -1 1 {} H 0.0 {0.462833 0.384904 0.688773} H14 2083 -1 1 {} H 0.0 {0.406436 0.411575 0.664981} H15 2084 -1 1 {} H 0.0 {0.40501 0.440038 0.694073} H16 2085 -1 1 {} H 0.0 {0.420296 0.437883 0.702542} H17 2086 -1 1 {} H 0.0 {0.407603 0.428331 0.707801} H18 2087 -1 1 {} H 0.0 {0.417913 0.397085 0.699899} H19 2088 -1 1 {} H 0.0 {0.44901 0.384646 0.641579} H20 2089 -1 1 {} H 0.0 {0.435843 0.378506 0.634921} H21 2090 -1 1 {} H 0.0 {0.416781 0.39323 0.665981} H22 2091 -1 14 {} Si 0.0 {0.361027 0.605918 0.410261} Si1 2092 -1 8 {} O 0.0 {0.357399 0.591765 0.416364} O1 2093 -1 14 {} Si 0.0 {0.347681 0.579589 0.415997} Si2 2094 -1 8 {} O 0.0 {0.35985 0.569727 0.416443} O2 2095 -1 14 {} Si 0.0 {0.371328 0.562981 0.407569} Si3 2096 -1 7 {} N 0.0 {0.380535 0.552356 0.415431} N1 2097 -1 14 {} Si 0.0 {0.387397 0.562717 0.427614} Si4 2098 -1 14 {} Si 0.0 {0.388839 0.538818 0.419949} Si5 2099 -1 7 {} N 0.0 {0.403856 0.57433 0.422951} N2 2100 -1 7 {} N 0.0 {0.373702 0.568999 0.443106} N3 2101 -1 7 {} N 0.0 {0.36739 0.635793 0.445539} N4 2102 -1 7 {} N 0.0 {0.3774 0.523819 0.426098} N5 2103 -1 7 {} N 0.0 {0.400908 0.531905 0.407138} N6 2104 -1 7 {} N 0.0 {0.398873 0.54644 0.435868} N7 2105 -1 8 {} O 0.0 {0.364337 0.600636 0.396391} O3 2106 -1 6 {} C 0.0 {0.348268 0.62831 0.420445} C1 2107 -1 8 {} O 0.0 {0.349343 0.615729 0.409604} O4 2108 -1 7 {} N 0.0 {0.374806 0.562432 0.387492} N8 2109 -1 8 {} O 0.0 {0.342684 0.579529 0.400116} O5 2110 -1 1 {} H 0.0 {0.371381 0.644733 0.44875} H1 2111 -1 1 {} H 0.0 {0.328582 0.552572 0.410993} H2 2112 -1 1 {} H 0.0 {0.401294 0.581751 0.416128} H3 2113 -1 1 {} H 0.0 {0.403594 0.579664 0.431918} H4 2114 -1 1 {} H 0.0 {0.365935 0.570217 0.43646} H5 2115 -1 1 {} H 0.0 {0.378766 0.578284 0.443248} H6 2116 -1 1 {} H 0.0 {0.360771 0.633177 0.453073} H7 2117 -1 1 {} H 0.0 {0.374799 0.629692 0.445658} H8 2118 -1 1 {} H 0.0 {0.381339 0.522891 0.435499} H9 2119 -1 1 {} H 0.0 {0.368005 0.527746 0.427318} H10 2120 -1 1 {} H 0.0 {0.404264 0.522005 0.409389} H11 2121 -1 1 {} H 0.0 {0.396236 0.531207 0.398344} H12 2122 -1 1 {} H 0.0 {0.393595 0.541384 0.442605} H13 2123 -1 1 {} H 0.0 {0.407839 0.541179 0.435414} H14 2124 -1 1 {} H 0.0 {0.374234 0.597443 0.394617} H15 2125 -1 1 {} H 0.0 {0.356565 0.634684 0.421311} H16 2126 -1 1 {} H 0.0 {0.345681 0.6241 0.429718} H17 2127 -1 1 {} H 0.0 {0.33982 0.633621 0.416445} H18 2128 -1 1 {} H 0.0 {0.383007 0.60982 0.360317} H19 2129 -1 1 {} H 0.0 {0.379787 0.571104 0.385238} H20 2130 -1 1 {} H 0.0 {0.381829 0.554881 0.384655} H21 2131 -1 1 {} H 0.0 {0.34877 0.584983 0.395793} H22 2132 -1 14 {} Si 0.0 {0.43615 0.62008 0.377517} Si1 2133 -1 8 {} O 0.0 {0.436744 0.638162 0.367928} O1 2134 -1 14 {} Si 0.0 {0.430855 0.651911 0.371693} Si2 2135 -1 8 {} O 0.0 {0.4258 0.646814 0.385525} O2 2136 -1 14 {} Si 0.0 {0.429079 0.636913 0.397307} Si3 2137 -1 7 {} N 0.0 {0.412185 0.633479 0.406877} N1 2138 -1 14 {} Si 0.0 {0.410503 0.633452 0.426788} Si4 2139 -1 14 {} Si 0.0 {0.395608 0.621971 0.407207} Si5 2140 -1 7 {} N 0.0 {0.397085 0.628946 0.436493} N2 2141 -1 7 {} N 0.0 {0.412965 0.649446 0.430987} N3 2142 -1 7 {} N 0.0 {0.425856 0.622969 0.434147} N4 2143 -1 7 {} N 0.0 {0.385451 0.638244 0.409529} N5 2144 -1 7 {} N 0.0 {0.393017 0.619488 0.38836} N6 2145 -1 7 {} N 0.0 {0.406452 0.605421 0.409272} N7 2146 -1 8 {} O 0.0 {0.446544 0.607658 0.361915} O3 2147 -1 6 {} C 0.0 {0.45126 0.60675 0.387992} C1 2148 -1 8 {} O 0.0 {0.442573 0.622281 0.391733} O4 2149 -1 7 {} N 0.0 {0.439459 0.644346 0.411011} N8 2150 -1 8 {} O 0.0 {0.421614 0.614233 0.378365} O5 2151 -1 1 {} H 0.0 {0.358292 0.696261 0.564699} H1 2152 -1 1 {} H 0.0 {0.387098 0.669989 0.439329} H2 2153 -1 1 {} H 0.0 {0.389947 0.636254 0.433786} H3 2154 -1 1 {} H 0.0 {0.399964 0.631525 0.446048} H4 2155 -1 1 {} H 0.0 {0.404618 0.654776 0.429735} H5 2156 -1 1 {} H 0.0 {0.414121 0.648438 0.440989} H6 2157 -1 1 {} H 0.0 {0.422726 0.623477 0.444111} H7 2158 -1 1 {} H 0.0 {0.432787 0.631163 0.433337} H8 2159 -1 1 {} H 0.0 {0.378745 0.636173 0.401677} H9 2160 -1 1 {} H 0.0 {0.388995 0.6475 0.406617} H10 2161 -1 1 {} H 0.0 {0.389333 0.610167 0.386133} H11 2162 -1 1 {} H 0.0 {0.403343 0.618975 0.386727} H12 2163 -1 1 {} H 0.0 {0.413637 0.610145 0.404066} H13 2164 -1 1 {} H 0.0 {0.407985 0.607195 0.419203} H14 2165 -1 1 {} H 0.0 {0.439397 0.609434 0.355} H15 2166 -1 1 {} H 0.0 {0.450003 0.604237 0.397975} H16 2167 -1 1 {} H 0.0 {0.460934 0.609232 0.38536} H17 2168 -1 1 {} H 0.0 {0.449781 0.597756 0.383069} H18 2169 -1 1 {} H 0.0 {0.461502 0.633718 0.385308} H19 2170 -1 1 {} H 0.0 {0.431484 0.643107 0.417446} H20 2171 -1 1 {} H 0.0 {0.438966 0.654581 0.411033} H21 2172 -1 1 {} H 0.0 {0.416501 0.61778 0.370916} H22 2173 -1 14 {} Si 0.0 {0.513386 0.656147 0.499366} Si1 2174 -1 8 {} O 0.0 {0.523947 0.637869 0.494182} O1 2175 -1 14 {} Si 0.0 {0.539276 0.639244 0.493415} Si2 2176 -1 8 {} O 0.0 {0.544508 0.652655 0.498848} O2 2177 -1 14 {} Si 0.0 {0.555387 0.662114 0.504483} Si3 2178 -1 7 {} N 0.0 {0.552447 0.664632 0.523344} N1 2179 -1 14 {} Si 0.0 {0.553514 0.650369 0.531648} Si4 2180 -1 14 {} Si 0.0 {0.544631 0.676827 0.531357} Si5 2181 -1 7 {} N 0.0 {0.558913 0.652702 0.550434} N2 2182 -1 7 {} N 0.0 {0.56832 0.638695 0.52663} N3 2183 -1 7 {} N 0.0 {0.537156 0.641437 0.531305} N4 2184 -1 7 {} N 0.0 {0.557596 0.690352 0.540525} N5 2185 -1 7 {} N 0.0 {0.532633 0.68559 0.519268} N6 2186 -1 7 {} N 0.0 {0.533293 0.671303 0.545805} N7 2187 -1 8 {} O 0.0 {0.499492 0.653279 0.492561} O3 2188 -1 6 {} C 0.0 {0.521166 0.670951 0.498017} C1 2189 -1 8 {} O 0.0 {0.509788 0.649197 0.51374} O4 2190 -1 7 {} N 0.0 {0.560407 0.680555 0.498224} N8 2191 -1 8 {} O 0.0 {0.56679 0.651762 0.499422} O5 2192 -1 1 {} H 0.0 {0.542202 0.638589 0.477987} H1 2193 -1 1 {} H 0.0 {0.546673 0.626637 0.502952} H2 2194 -1 1 {} H 0.0 {0.56294 0.643221 0.55094} H3 2195 -1 1 {} H 0.0 {0.56681 0.658884 0.549381} H4 2196 -1 1 {} H 0.0 {0.5685 0.641124 0.516714} H5 2197 -1 1 {} H 0.0 {0.576652 0.642737 0.53124} H6 2198 -1 1 {} H 0.0 {0.540599 0.634468 0.524262} H7 2199 -1 1 {} H 0.0 {0.532615 0.648462 0.525773} H8 2200 -1 1 {} H 0.0 {0.565951 0.688001 0.535938} H9 2201 -1 1 {} H 0.0 {0.554142 0.698771 0.535368} H10 2202 -1 1 {} H 0.0 {0.53895 0.691512 0.514123} H11 2203 -1 1 {} H 0.0 {0.527824 0.69233 0.525262} H12 2204 -1 1 {} H 0.0 {0.537739 0.675644 0.553641} H13 2205 -1 1 {} H 0.0 {0.536071 0.661154 0.546426} H14 2206 -1 1 {} H 0.0 {0.492504 0.654689 0.498805} H15 2207 -1 1 {} H 0.0 {0.531343 0.670579 0.502663} H16 2208 -1 1 {} H 0.0 {0.513259 0.682615 0.507133} H17 2209 -1 1 {} H 0.0 {0.521664 0.674314 0.488081} H18 2210 -1 1 {} H 0.0 {0.5132 0.639741 0.51313} H19 2211 -1 1 {} H 0.0 {0.570624 0.679096 0.500205} H20 2212 -1 1 {} H 0.0 {0.559454 0.677713 0.488718} H21 2213 -1 1 {} H 0.0 {0.569239 0.652545 0.489575} H22 2214 -1 14 {} Si 0.0 {0.425289 0.710671 0.574592} Si1 2215 -1 8 {} O 0.0 {0.412208 0.718119 0.578466} O1 2216 -1 14 {} Si 0.0 {0.605519 0.509483 0.304215} Si2 2217 -1 8 {} O 0.0 {0.603674 0.509466 0.319717} O2 2218 -1 14 {} Si 0.0 {0.595434 0.509257 0.332801} Si3 2219 -1 7 {} N 0.0 {0.607463 0.517538 0.345993} N1 2220 -1 14 {} Si 0.0 {0.618136 0.508095 0.353945} Si4 2221 -1 14 {} Si 0.0 {0.609298 0.533228 0.343521} Si5 2222 -1 7 {} N 0.0 {0.618319 0.49031 0.346469} N2 2223 -1 7 {} N 0.0 {0.613408 0.504365 0.372372} N3 2224 -1 7 {} N 0.0 {0.636363 0.516462 0.35311} N4 2225 -1 7 {} N 0.0 {0.620008 0.541176 0.356921} N5 2226 -1 7 {} N 0.0 {0.615843 0.539476 0.324757} N6 2227 -1 7 {} N 0.0 {0.592413 0.542637 0.345285} N7 2228 -1 8 {} O 0.0 {0.438553 0.730073 0.556592} O3 2229 -1 6 {} C 0.0 {0.439738 0.7159 0.566649} C1 2230 -1 8 {} O 0.0 {0.425288 0.704925 0.58916} O4 2231 -1 7 {} N 0.0 {0.586532 0.492326 0.34064} N8 2232 -1 8 {} O 0.0 {0.585362 0.520668 0.327667} O5 2233 -1 1 {} H 0.0 {0.593912 0.497505 0.297679} H1 2234 -1 1 {} H 0.0 {0.414559 0.726915 0.582673} H2 2235 -1 1 {} H 0.0 {0.609019 0.489847 0.342085} H3 2236 -1 1 {} H 0.0 {0.617274 0.486332 0.355902} H4 2237 -1 1 {} H 0.0 {0.621579 0.50877 0.376787} H5 2238 -1 1 {} H 0.0 {0.606095 0.511427 0.374117} H6 2239 -1 1 {} H 0.0 {0.642408 0.508859 0.35416} H7 2240 -1 1 {} H 0.0 {0.637424 0.521776 0.36228} H8 2241 -1 1 {} H 0.0 {0.622606 0.53302 0.362747} H9 2242 -1 1 {} H 0.0 {0.628474 0.543615 0.351954} H10 2243 -1 1 {} H 0.0 {0.609966 0.547613 0.323047} H11 2244 -1 1 {} H 0.0 {0.624644 0.544648 0.328507} H12 2245 -1 1 {} H 0.0 {0.596868 0.552169 0.346454} H13 2246 -1 1 {} H 0.0 {0.590016 0.539032 0.354634} H14 2247 -1 1 {} H 0.0 {0.433319 0.726134 0.549244} H15 2248 -1 1 {} H 0.0 {0.443123 0.708268 0.560164} H16 2249 -1 1 {} H 0.0 {0.519438 0.490764 0.708334} H17 2250 -1 1 {} H 0.0 {0.445796 0.718282 0.574469} H18 2251 -1 1 {} H 0.0 {0.42242 0.695448 0.588814} H19 2252 -1 1 {} H 0.0 {0.578094 0.497033 0.344772} H20 2253 -1 1 {} H 0.0 {0.591376 0.4892 0.349301} H21 2254 -1 1 {} H 0.0 {0.588388 0.52925 0.330835} H22 2255 -1 14 {} Si 0.0 {0.372639 0.359372 0.423333} Si1 2256 -1 8 {} O 0.0 {0.365507 0.372384 0.438539} O1 2257 -1 14 {} Si 0.0 {0.36604 0.364718 0.469342} Si2 2258 -1 8 {} O 0.0 {0.357932 0.37387 0.459962} O2 2259 -1 14 {} Si 0.0 {0.354522 0.380211 0.446215} Si3 2260 -1 7 {} N 0.0 {0.303973 0.381332 0.447762} N1 2261 -1 14 {} Si 0.0 {0.314231 0.375353 0.437533} Si4 2262 -1 14 {} Si 0.0 {0.30443 0.394686 0.456522} Si5 2263 -1 7 {} N 0.0 {0.311618 0.383877 0.419823} N2 2264 -1 7 {} N 0.0 {0.307923 0.358497 0.433187} N3 2265 -1 7 {} N 0.0 {0.333749 0.378192 0.443253} N4 2266 -1 7 {} N 0.0 {0.302896 0.390918 0.476103} N5 2267 -1 7 {} N 0.0 {0.321033 0.405778 0.455546} N6 2268 -1 7 {} N 0.0 {0.290417 0.405541 0.452343} N7 2269 -1 8 {} O 0.0 {0.381248 0.367037 0.412955} O3 2270 -1 6 {} C 0.0 {0.354489 0.365838 0.426469} C1 2271 -1 8 {} O 0.0 {0.384895 0.356337 0.432985} O4 2272 -1 7 {} N 0.0 {0.356217 0.399894 0.449459} N8 2273 -1 8 {} O 0.0 {0.473571 0.245986 0.371631} O5 2274 -1 1 {} H 0.0 {0.386426 0.362603 0.459438} H1 2275 -1 1 {} H 0.0 {0.365714 0.633254 0.313157} H2 2276 -1 1 {} H 0.0 {0.303255 0.389017 0.423282} H3 2277 -1 1 {} H 0.0 {0.307132 0.376595 0.414541} H4 2278 -1 1 {} H 0.0 {0.313391 0.35294 0.439416} H5 2279 -1 1 {} H 0.0 {0.313111 0.356066 0.424398} H6 2280 -1 1 {} H 0.0 {0.332701 0.372672 0.451908} H7 2281 -1 1 {} H 0.0 {0.332166 0.387989 0.447343} H8 2282 -1 1 {} H 0.0 {0.310666 0.396737 0.479248} H9 2283 -1 1 {} H 0.0 {0.306715 0.38133 0.475647} H10 2284 -1 1 {} H 0.0 {0.321739 0.405778 0.465957} H11 2285 -1 1 {} H 0.0 {0.316209 0.413735 0.452825} H12 2286 -1 1 {} H 0.0 {0.284425 0.403435 0.460103} H13 2287 -1 1 {} H 0.0 {0.285988 0.400007 0.444728} H14 2288 -1 1 {} H 0.0 {0.383554 0.360198 0.405432} H15 2289 -1 1 {} H 0.0 {0.351816 0.370539 0.417722} H16 2290 -1 1 {} H 0.0 {0.34817 0.35758 0.428495} H17 2291 -1 1 {} H 0.0 {0.385886 0.324716 0.451565} H18 2292 -1 1 {} H 0.0 {0.38208 0.360112 0.441429} H19 2293 -1 1 {} H 0.0 {0.358446 0.399577 0.458746} H20 2294 -1 1 {} H 0.0 {0.346041 0.401745 0.448484} H21 2295 -1 1 {} H 0.0 {0.449761 0.235169 0.388744} H22 2296 -1 14 {} Si 0.0 {0.50631 0.624431 0.608767} Si1 2297 -1 8 {} O 0.0 {0.504739 0.609894 0.61323} O1 2298 -1 14 {} Si 0.0 {0.506217 0.597921 0.62457} Si2 2299 -1 8 {} O 0.0 {0.496039 0.586497 0.620074} O2 2300 -1 14 {} Si 0.0 {0.484614 0.582183 0.609877} Si3 2301 -1 7 {} N 0.0 {0.46653 0.583773 0.61722} N1 2302 -1 14 {} Si 0.0 {0.453151 0.57703 0.611461} Si4 2303 -1 14 {} Si 0.0 {0.465824 0.590071 0.63238} Si5 2304 -1 7 {} N 0.0 {0.434726 0.588116 0.61054} N2 2305 -1 7 {} N 0.0 {0.448601 0.559012 0.616577} N3 2306 -1 7 {} N 0.0 {0.456789 0.57242 0.593323} N4 2307 -1 7 {} N 0.0 {0.479641 0.579543 0.643072} N5 2308 -1 7 {} N 0.0 {0.469978 0.608726 0.635145} N6 2309 -1 7 {} N 0.0 {0.449853 0.587117 0.642707} N7 2310 -1 8 {} O 0.0 {0.495547 0.621849 0.591308} O3 2311 -1 6 {} C 0.0 {0.505171 0.637778 0.619427} C1 2312 -1 8 {} O 0.0 {0.501265 0.604151 0.638158} O4 2313 -1 7 {} N 0.0 {0.485468 0.562909 0.607208} N8 2314 -1 8 {} O 0.0 {0.487081 0.592041 0.597626} O5 2315 -1 1 {} H 0.0 {0.668202 0.591073 0.306618} H1 2316 -1 1 {} H 0.0 {0.520967 0.591509 0.625396} H2 2317 -1 1 {} H 0.0 {0.433907 0.587863 0.600333} H3 2318 -1 1 {} H 0.0 {0.428925 0.579706 0.613225} H4 2319 -1 1 {} H 0.0 {0.449327 0.553862 0.607716} H5 2320 -1 1 {} H 0.0 {0.438423 0.559782 0.617996} H6 2321 -1 1 {} H 0.0 {0.447373 0.570427 0.590557} H7 2322 -1 1 {} H 0.0 {0.458253 0.581455 0.588545} H8 2323 -1 1 {} H 0.0 {0.476288 0.582911 0.65237} H9 2324 -1 1 {} H 0.0 {0.487368 0.585709 0.640276} H10 2325 -1 1 {} H 0.0 {0.464012 0.614239 0.628314} H11 2326 -1 1 {} H 0.0 {0.464399 0.610065 0.643043} H12 2327 -1 1 {} H 0.0 {0.443281 0.585627 0.634694} H13 2328 -1 1 {} H 0.0 {0.451003 0.577245 0.645672} H14 2329 -1 1 {} H 0.0 {0.499548 0.629686 0.5852} H15 2330 -1 1 {} H 0.0 {0.494904 0.639339 0.621618} H16 2331 -1 1 {} H 0.0 {0.532493 0.653779 0.606283} H17 2332 -1 1 {} H 0.0 {0.510098 0.635893 0.62839} H18 2333 -1 1 {} H 0.0 {0.71104 0.64144 0.477377} H19 2334 -1 1 {} H 0.0 {0.491889 0.560971 0.614468} H20 2335 -1 1 {} H 0.0 {0.476046 0.560253 0.611429} H21 2336 -1 1 {} H 0.0 {0.493321 0.599847 0.600156} H22 2337 -1 14 {} Si 0.0 {0.434051 0.570021 0.28139} Si1 2338 -1 8 {} O 0.0 {0.429554 0.555388 0.27907} O1 2339 -1 14 {} Si 0.0 {0.425355 0.54549 0.267891} Si2 2340 -1 8 {} O 0.0 {0.430172 0.55025 0.253712} O2 2341 -1 14 {} Si 0.0 {0.753654 0.53367 0.376522} Si3 2342 -1 7 {} N 0.0 {0.746374 0.518847 0.374141} N1 2343 -1 14 {} Si 0.0 {0.735891 0.50861 0.381483} Si4 2344 -1 14 {} Si 0.0 {0.747006 0.512393 0.358572} Si5 2345 -1 7 {} N 0.0 {0.741485 0.509108 0.39967} N2 2346 -1 7 {} N 0.0 {0.736942 0.490654 0.37554} N3 2347 -1 7 {} N 0.0 {0.717183 0.515671 0.381187} N4 2348 -1 7 {} N 0.0 {0.729748 0.508751 0.349828} N5 2349 -1 7 {} N 0.0 {0.753952 0.530025 0.349456} N6 2350 -1 7 {} N 0.0 {0.760761 0.499508 0.354438} N7 2351 -1 8 {} O 0.0 {0.448517 0.564577 0.295143} O3 2352 -1 6 {} C 0.0 {0.420842 0.583438 0.28312} C1 2353 -1 8 {} O 0.0 {0.444777 0.570344 0.269894} O4 2354 -1 7 {} N 0.0 {0.767245 0.529956 0.390508} N8 2355 -1 8 {} O 0.0 {0.756908 0.541556 0.364197} O5 2356 -1 1 {} H 0.0 {0.409837 0.545913 0.267736} H1 2357 -1 1 {} H 0.0 {0.432648 0.531977 0.271477} H2 2358 -1 1 {} H 0.0 {0.745217 0.499888 0.400755} H3 2359 -1 1 {} H 0.0 {0.749204 0.515567 0.399874} H4 2360 -1 1 {} H 0.0 {0.745 0.486772 0.381009} H5 2361 -1 1 {} H 0.0 {0.739844 0.490894 0.366094} H6 2362 -1 1 {} H 0.0 {0.717547 0.516575 0.391778} H7 2363 -1 1 {} H 0.0 {0.718745 0.525358 0.378019} H8 2364 -1 1 {} H 0.0 {0.723232 0.511666 0.357927} H9 2365 -1 1 {} H 0.0 {0.503198 0.245108 0.384261} H10 2366 -1 1 {} H 0.0 {0.748391 0.534729 0.342113} H11 2367 -1 1 {} H 0.0 {0.762829 0.525644 0.346132} H12 2368 -1 1 {} H 0.0 {0.770055 0.503962 0.353295} H13 2369 -1 1 {} H 0.0 {0.761975 0.49555 0.363623} H14 2370 -1 1 {} H 0.0 {0.443947 0.55731 0.30043} H15 2371 -1 1 {} H 0.0 {0.422682 0.587129 0.29319} H16 2372 -1 1 {} H 0.0 {0.410547 0.580435 0.285376} H17 2373 -1 1 {} H 0.0 {0.42196 0.589901 0.275349} H18 2374 -1 1 {} H 0.0 {0.444254 0.562944 0.263621} H19 2375 -1 1 {} H 0.0 {0.768798 0.540078 0.392784} H20 2376 -1 1 {} H 0.0 {0.775894 0.526997 0.386514} H21 2377 -1 1 {} H 0.0 {0.448293 0.488444 0.72403} H22 2378 -1 14 {} Si 0.0 {0.317372 0.569092 0.554614} Si1 2379 -1 8 {} O 0.0 {0.315334 0.580805 0.565243} O1 2380 -1 14 {} Si 0.0 {0.321617 0.590232 0.5756} Si2 2381 -1 8 {} O 0.0 {0.313211 0.585508 0.587853} O2 2382 -1 14 {} Si 0.0 {0.312752 0.572776 0.59755} Si3 2383 -1 7 {} N 0.0 {0.324753 0.566689 0.606171} N1 2384 -1 14 {} Si 0.0 {0.587301 0.386343 0.304635} Si4 2385 -1 14 {} Si 0.0 {0.595522 0.405746 0.294898} Si5 2386 -1 7 {} N 0.0 {0.678207 0.35619 0.484625} N2 2387 -1 7 {} N 0.0 {0.304837 0.513586 0.592288} N3 2388 -1 7 {} N 0.0 {0.333519 0.447579 0.109347} N4 2389 -1 7 {} N 0.0 {0.609042 0.404752 0.286984} N5 2390 -1 7 {} N 0.0 {0.416559 0.569461 0.637306} N6 2391 -1 7 {} N 0.0 {0.261737 0.389829 0.610621} N7 2392 -1 8 {} O 0.0 {0.520095 0.481304 0.338124} O3 2393 -1 6 {} C 0.0 {0.426524 0.476831 0.251952} C1 2394 -1 8 {} O 0.0 {0.334236 0.558319 0.562828} O4 2395 -1 7 {} N 0.0 {0.525556 0.474793 0.32133} N8 2396 -1 8 {} O 0.0 {0.328058 0.521393 0.543576} O5 2397 -1 1 {} H 0.0 {0.316295 0.605646 0.573269} H1 2398 -1 1 {} H 0.0 {0.343969 0.561578 0.591143} H2 2399 -1 1 {} H 0.0 {0.684434 0.349121 0.480758} H3 2400 -1 1 {} H 0.0 {0.668617 0.354047 0.483968} H4 2401 -1 1 {} H 0.0 {0.312313 0.506375 0.592398} H5 2402 -1 1 {} H 0.0 {0.332543 0.444063 0.119085} H6 2403 -1 1 {} H 0.0 {0.339856 0.455275 0.108613} H7 2404 -1 1 {} H 0.0 {0.324022 0.451209 0.107572} H8 2405 -1 1 {} H 0.0 {0.535561 0.360653 0.316739} H9 2406 -1 1 {} H 0.0 {0.617655 0.408036 0.291436} H10 2407 -1 1 {} H 0.0 {0.323225 0.72326 0.479744} H11 2408 -1 1 {} H 0.0 {0.413275 0.559835 0.639505} H12 2409 -1 1 {} H 0.0 {0.657199 0.635516 0.443087} H13 2410 -1 1 {} H 0.0 {0.256592 0.39788 0.606411} H14 2411 -1 1 {} H 0.0 {0.526921 0.478798 0.344311} H15 2412 -1 1 {} H 0.0 {0.421664 0.470601 0.259298} H16 2413 -1 1 {} H 0.0 {0.297539 0.509449 0.586147} H17 2414 -1 1 {} H 0.0 {0.42933 0.4722 0.242083} H18 2415 -1 1 {} H 0.0 {0.302011 0.570643 0.578737} H19 2416 -1 1 {} H 0.0 {0.300689 0.576768 0.607384} H20 2417 -1 1 {} H 0.0 {0.522072 0.480408 0.314007} H21 2418 -1 1 {} H 0.0 {0.321988 0.51276 0.544373} H22 2419 -1 14 {} Si 0.0 {0.372826 0.323383 0.492203} Si1 2420 -1 8 {} O 0.0 {0.371525 0.316746 0.478095} O1 2421 -1 14 {} Si 0.0 {0.364369 0.313134 0.464144} Si2 2422 -1 8 {} O 0.0 {0.358963 0.328924 0.463555} O2 2423 -1 14 {} Si 0.0 {0.349645 0.341404 0.462945} Si3 2424 -1 7 {} N 0.0 {0.414374 0.693468 0.383273} N1 2425 -1 14 {} Si 0.0 {0.3922 0.679306 0.402492} Si4 2426 -1 14 {} Si 0.0 {0.427604 0.685782 0.387645} Si5 2427 -1 7 {} N 0.0 {0.404468 0.668627 0.406136} N2 2428 -1 7 {} N 0.0 {0.380527 0.672723 0.392039} N3 2429 -1 7 {} N 0.0 {0.399974 0.69407 0.389519} N4 2430 -1 7 {} N 0.0 {0.436032 0.671453 0.373274} N5 2431 -1 7 {} N 0.0 {0.714895 0.351712 0.441442} N6 2432 -1 7 {} N 0.0 {0.362152 0.627989 0.305134} N7 2433 -1 8 {} O 0.0 {0.387443 0.31312 0.500425} O3 2434 -1 6 {} C 0.0 {0.358086 0.32974 0.501919} C1 2435 -1 8 {} O 0.0 {0.383079 0.334619 0.486528} O4 2436 -1 7 {} N 0.0 {0.335884 0.3441 0.455187} N8 2437 -1 8 {} O 0.0 {0.35008 0.346619 0.47775} O5 2438 -1 1 {} H 0.0 {0.351256 0.30634 0.46918} H1 2439 -1 1 {} H 0.0 {0.456421 0.598758 0.659752} H2 2440 -1 1 {} H 0.0 {0.409568 0.671363 0.414953} H3 2441 -1 1 {} H 0.0 {0.411874 0.670499 0.399104} H4 2442 -1 1 {} H 0.0 {0.378372 0.678201 0.383611} H5 2443 -1 1 {} H 0.0 {0.383182 0.663199 0.388533} H6 2444 -1 1 {} H 0.0 {0.65416 0.631666 0.467365} H7 2445 -1 1 {} H 0.0 {0.400915 0.699569 0.398597} H8 2446 -1 1 {} H 0.0 {0.445539 0.671399 0.376747} H9 2447 -1 1 {} H 0.0 {0.436458 0.677683 0.365414} H10 2448 -1 1 {} H 0.0 {0.499577 0.663743 0.317243} H11 2449 -1 1 {} H 0.0 {0.70591 0.352026 0.43681} H12 2450 -1 1 {} H 0.0 {0.35252 0.626019 0.30728} H13 2451 -1 1 {} H 0.0 {0.362587 0.634731 0.297005} H14 2452 -1 1 {} H 0.0 {0.391738 0.320708 0.505519} H15 2453 -1 1 {} H 0.0 {0.355472 0.339587 0.497011} H16 2454 -1 1 {} H 0.0 {0.360931 0.330213 0.512187} H17 2455 -1 1 {} H 0.0 {0.349684 0.322668 0.502091} H18 2456 -1 1 {} H 0.0 {0.379431 0.338325 0.478432} H19 2457 -1 1 {} H 0.0 {0.39229 0.698962 0.384818} H20 2458 -1 1 {} H 0.0 {0.33007 0.33579 0.452003} H21 2459 -1 1 {} H 0.0 {0.355646 0.354311 0.477459} H22 2460 -1 14 {} Si 0.0 {0.321117 0.353687 0.500019} Si1 2461 -1 8 {} O 0.0 {0.313992 0.365043 0.508891} O1 2462 -1 14 {} Si 0.0 {0.299706 0.368852 0.513595} Si2 2463 -1 8 {} O 0.0 {0.291038 0.357017 0.508076} O2 2464 -1 14 {} Si 0.0 {0.30709 0.642907 0.430699} Si3 2465 -1 7 {} N 0.0 {0.308638 0.631423 0.419713} N1 2466 -1 14 {} Si 0.0 {0.665475 0.65455 0.59268} Si4 2467 -1 14 {} Si 0.0 {0.276861 0.347819 0.571403} Si5 2468 -1 7 {} N 0.0 {0.58971 0.497662 0.696405} N2 2469 -1 7 {} N 0.0 {0.674246 0.646099 0.607896} N3 2470 -1 7 {} N 0.0 {0.665918 0.641487 0.582413} N4 2471 -1 7 {} N 0.0 {0.261524 0.345768 0.571715} N5 2472 -1 7 {} N 0.0 {0.288113 0.332466 0.566865} N6 2473 -1 7 {} N 0.0 {0.598579 0.511773 0.694861} N7 2474 -1 8 {} O 0.0 {0.338813 0.356867 0.512086} O3 2475 -1 6 {} C 0.0 {0.319472 0.351928 0.481727} C1 2476 -1 8 {} O 0.0 {0.317421 0.342055 0.50983} O4 2477 -1 7 {} N 0.0 {0.347557 0.595815 0.372973} N8 2478 -1 8 {} O 0.0 {0.300867 0.657406 0.432707} O5 2479 -1 1 {} H 0.0 {0.324407 0.36842 0.54056} H1 2480 -1 1 {} H 0.0 {0.341148 0.590447 0.379052} H2 2481 -1 1 {} H 0.0 {0.644324 0.395399 0.583291} H3 2482 -1 1 {} H 0.0 {0.588937 0.492943 0.687756} H4 2483 -1 1 {} H 0.0 {0.68026 0.653813 0.611189} H5 2484 -1 1 {} H 0.0 {0.666243 0.646473 0.614378} H6 2485 -1 1 {} H 0.0 {0.390782 0.635107 0.579986} H7 2486 -1 1 {} H 0.0 {0.670523 0.633476 0.587256} H8 2487 -1 1 {} H 0.0 {0.594501 0.491535 0.702985} H9 2488 -1 1 {} H 0.0 {0.255115 0.353722 0.57129} H10 2489 -1 1 {} H 0.0 {0.294973 0.333526 0.573945} H11 2490 -1 1 {} H 0.0 {0.291067 0.335094 0.557227} H12 2491 -1 1 {} H 0.0 {0.324643 0.340658 0.5157} H13 2492 -1 1 {} H 0.0 {0.607867 0.50942 0.690756} H14 2493 -1 1 {} H 0.0 {0.334689 0.360621 0.520593} H15 2494 -1 1 {} H 0.0 {0.326959 0.346917 0.476589} H16 2495 -1 1 {} H 0.0 {0.319245 0.362156 0.478501} H17 2496 -1 1 {} H 0.0 {0.310031 0.347572 0.480912} H18 2497 -1 1 {} H 0.0 {0.374183 0.357828 0.506562} H19 2498 -1 1 {} H 0.0 {0.343044 0.603986 0.368904} H20 2499 -1 1 {} H 0.0 {0.354906 0.59966 0.379358} H21 2500 -1 1 {} H 0.0 {0.29397 0.656977 0.439555} H22 2501 -1 14 {} Si 0.0 {0.668123 0.312664 0.576423} Si1 2502 -1 8 {} O 0.0 {0.667798 0.30392 0.563421} O1 2503 -1 14 {} Si 0.0 {0.658769 0.299362 0.551738} Si2 2504 -1 8 {} O 0.0 {0.65704 0.284616 0.557496} O2 2505 -1 14 {} Si 0.0 {0.652927 0.272849 0.567141} Si3 2506 -1 7 {} N 0.0 {0.642985 0.25955 0.557635} N1 2507 -1 14 {} Si 0.0 {0.650831 0.255372 0.543775} Si4 2508 -1 14 {} Si 0.0 {0.359344 0.374627 0.505456} Si5 2509 -1 7 {} N 0.0 {0.418777 0.417684 0.456659} N2 2510 -1 7 {} N 0.0 {0.641605 0.26043 0.525774} N3 2511 -1 7 {} N 0.0 {0.65128 0.235524 0.544435} N4 2512 -1 7 {} N 0.0 {0.373875 0.36504 0.513685} N5 2513 -1 7 {} N 0.0 {0.366772 0.375139 0.486353} N6 2514 -1 7 {} N 0.0 {0.678018 0.706408 0.528561} N7 2515 -1 8 {} O 0.0 {0.612202 0.297525 0.528623} O3 2516 -1 6 {} C 0.0 {0.676988 0.326394 0.579686} C1 2517 -1 8 {} O 0.0 {0.660531 0.303368 0.588855} O4 2518 -1 7 {} N 0.0 {0.642536 0.274174 0.583232} N8 2519 -1 8 {} O 0.0 {0.668169 0.268419 0.568915} O5 2520 -1 1 {} H 0.0 {0.666812 0.281951 0.512438} H1 2521 -1 1 {} H 0.0 {0.645185 0.306246 0.553322} H2 2522 -1 1 {} H 0.0 {0.426719 0.421393 0.462468} H3 2523 -1 1 {} H 0.0 {0.421586 0.407445 0.45645} H4 2524 -1 1 {} H 0.0 {0.635445 0.265864 0.532012} H5 2525 -1 1 {} H 0.0 {0.649843 0.265598 0.522722} H6 2526 -1 1 {} H 0.0 {0.470532 0.312323 0.559742} H7 2527 -1 1 {} H 0.0 {0.646614 0.235738 0.53558} H8 2528 -1 1 {} H 0.0 {0.423294 0.60035 0.253974} H9 2529 -1 1 {} H 0.0 {0.3825 0.370318 0.511692} H10 2530 -1 1 {} H 0.0 {0.364321 0.384314 0.483145} H11 2531 -1 1 {} H 0.0 {0.376425 0.37597 0.489788} H12 2532 -1 1 {} H 0.0 {0.686945 0.709651 0.531729} H13 2533 -1 1 {} H 0.0 {0.675734 0.712692 0.520733} H14 2534 -1 1 {} H 0.0 {0.641832 0.25117 0.563181} H15 2535 -1 1 {} H 0.0 {0.372501 0.331576 0.615803} H16 2536 -1 1 {} H 0.0 {0.670614 0.334309 0.582421} H17 2537 -1 1 {} H 0.0 {0.684133 0.324331 0.587406} H18 2538 -1 1 {} H 0.0 {0.657792 0.29466 0.584875} H19 2539 -1 1 {} H 0.0 {0.635752 0.266691 0.58438} H20 2540 -1 1 {} H 0.0 {0.64909 0.271868 0.590538} H21 2541 -1 1 {} H 0.0 {0.67484 0.27434 0.566484} H22 2542 -1 14 {} Si 0.0 {0.474259 0.538139 0.579048} Si1 2543 -1 8 {} O 0.0 {0.475996 0.551594 0.570244} O1 2544 -1 14 {} Si 0.0 {0.478594 0.558228 0.556214} Si2 2545 -1 8 {} O 0.0 {0.463927 0.561098 0.550978} O2 2546 -1 14 {} Si 0.0 {0.450676 0.567826 0.555528} Si3 2547 -1 7 {} N 0.0 {0.436742 0.570965 0.542114} N1 2548 -1 14 {} Si 0.0 {0.42847 0.558318 0.535924} Si4 2549 -1 14 {} Si 0.0 {0.430889 0.586026 0.538193} Si5 2550 -1 7 {} N 0.0 {0.438558 0.540932 0.541626} N2 2551 -1 7 {} N 0.0 {0.428372 0.558001 0.516609} N3 2552 -1 7 {} N 0.0 {0.410917 0.553763 0.542234} N4 2553 -1 7 {} N 0.0 {0.424091 0.59609 0.553368} N5 2554 -1 7 {} N 0.0 {0.443909 0.597663 0.528781} N6 2555 -1 7 {} N 0.0 {0.417278 0.585119 0.52469} N7 2556 -1 8 {} O 0.0 {0.488201 0.541689 0.586144} O3 2557 -1 6 {} C 0.0 {0.472256 0.521638 0.570126} C1 2558 -1 8 {} O 0.0 {0.464678 0.542143 0.590478} O4 2559 -1 7 {} N 0.0 {0.451661 0.586654 0.561451} N8 2560 -1 8 {} O 0.0 {0.44622 0.557513 0.567246} O5 2561 -1 1 {} H 0.0 {0.473689 0.524648 0.543167} H1 2562 -1 1 {} H 0.0 {0.484976 0.570342 0.557847} H2 2563 -1 1 {} H 0.0 {0.441322 0.541754 0.551172} H3 2564 -1 1 {} H 0.0 {0.447106 0.5399 0.535314} H4 2565 -1 1 {} H 0.0 {0.430626 0.567212 0.513988} H5 2566 -1 1 {} H 0.0 {0.436657 0.551887 0.514478} H6 2567 -1 1 {} H 0.0 {0.404929 0.557594 0.535394} H7 2568 -1 1 {} H 0.0 {0.411717 0.543826 0.539105} H8 2569 -1 1 {} H 0.0 {0.415702 0.590369 0.555039} H9 2570 -1 1 {} H 0.0 {0.420493 0.604158 0.548691} H10 2571 -1 1 {} H 0.0 {0.437576 0.60462 0.525631} H11 2572 -1 1 {} H 0.0 {0.447124 0.593327 0.520201} H12 2573 -1 1 {} H 0.0 {0.421323 0.590521 0.516633} H13 2574 -1 1 {} H 0.0 {0.410201 0.591394 0.528098} H14 2575 -1 1 {} H 0.0 {0.486179 0.547305 0.593581} H15 2576 -1 1 {} H 0.0 {0.467025 0.525091 0.561077} H16 2577 -1 1 {} H 0.0 {0.466407 0.515102 0.576517} H17 2578 -1 1 {} H 0.0 {0.481752 0.518776 0.567471} H18 2579 -1 1 {} H 0.0 {0.465935 0.551847 0.592829} H19 2580 -1 1 {} H 0.0 {0.451921 0.590213 0.551665} H20 2581 -1 1 {} H 0.0 {0.442487 0.588809 0.564735} H21 2582 -1 1 {} H 0.0 {0.330773 0.514564 0.614078} H22 2583 -1 14 {} Si 0.0 {0.498429 0.65581 0.341871} Si1 2584 -1 8 {} O 0.0 {0.521645 0.661724 0.345173} O1 2585 -1 14 {} Si 0.0 {0.515175 0.660199 0.359223} Si2 2586 -1 8 {} O 0.0 {0.499265 0.660539 0.356816} O2 2587 -1 14 {} Si 0.0 {0.498379 0.622725 0.377485} Si3 2588 -1 7 {} N 0.0 {0.509794 0.63267 0.382595} N1 2589 -1 14 {} Si 0.0 {0.52116 0.633051 0.370114} Si4 2590 -1 14 {} Si 0.0 {0.506219 0.636858 0.39836} Si5 2591 -1 7 {} N 0.0 {0.540292 0.628287 0.377032} N2 2592 -1 7 {} N 0.0 {0.559444 0.643053 0.33904} N3 2593 -1 7 {} N 0.0 {0.521258 0.618977 0.356191} N4 2594 -1 7 {} N 0.0 {0.492633 0.649852 0.401856} N5 2595 -1 7 {} N 0.0 {0.503922 0.621957 0.411572} N6 2596 -1 7 {} N 0.0 {0.523372 0.644328 0.402548} N7 2597 -1 8 {} O 0.0 {0.423984 0.628457 0.215738} O3 2598 -1 6 {} C 0.0 {0.451219 0.642783 0.357908} C1 2599 -1 8 {} O 0.0 {0.487293 0.639512 0.347067} O4 2600 -1 7 {} N 0.0 {0.450622 0.608345 0.423409} N8 2601 -1 8 {} O 0.0 {0.459271 0.702175 0.414728} O5 2602 -1 1 {} H 0.0 {0.501728 0.579705 0.332593} H1 2603 -1 1 {} H 0.0 {0.518517 0.64764 0.363975} H2 2604 -1 1 {} H 0.0 {0.541379 0.62343 0.368071} H3 2605 -1 1 {} H 0.0 {0.542963 0.638106 0.376501} H4 2606 -1 1 {} H 0.0 {0.570024 0.641334 0.338059} H5 2607 -1 1 {} H 0.0 {0.555547 0.633587 0.336656} H6 2608 -1 1 {} H 0.0 {0.524539 0.610813 0.361206} H7 2609 -1 1 {} H 0.0 {0.529211 0.622329 0.350871} H8 2610 -1 1 {} H 0.0 {0.486151 0.644751 0.407734} H9 2611 -1 1 {} H 0.0 {0.48878 0.65109 0.392697} H10 2612 -1 1 {} H 0.0 {0.494385 0.624099 0.414627} H11 2613 -1 1 {} H 0.0 {0.504269 0.61352 0.406891} H12 2614 -1 1 {} H 0.0 {0.526718 0.639917 0.411021} H13 2615 -1 1 {} H 0.0 {0.529045 0.640551 0.394683} H14 2616 -1 1 {} H 0.0 {0.428076 0.704553 0.458794} H15 2617 -1 1 {} H 0.0 {0.529086 0.495583 0.574867} H16 2618 -1 1 {} H 0.0 {0.455892 0.633385 0.359707} H17 2619 -1 1 {} H 0.0 {0.528421 0.4988 0.581841} H18 2620 -1 1 {} H 0.0 {0.492097 0.636006 0.355361} H19 2621 -1 1 {} H 0.0 {0.451727 0.599473 0.418298} H20 2622 -1 1 {} H 0.0 {0.446751 0.616108 0.417578} H21 2623 -1 1 {} H 0.0 {0.454559 0.710021 0.416936} H22 2624 -1 14 {} Si 0.0 {0.72868 0.557581 0.309086} Si1 2625 -1 8 {} O 0.0 {0.719968 0.544485 0.30607} O1 2626 -1 14 {} Si 0.0 {0.71519 0.531583 0.313922} Si2 2627 -1 8 {} O 0.0 {0.715459 0.537595 0.329294} O2 2628 -1 14 {} Si 0.0 {0.721788 0.546463 0.340426} Si3 2629 -1 7 {} N 0.0 {0.655856 0.261686 0.450295} N1 2630 -1 14 {} Si 0.0 {0.648432 0.275681 0.453091} Si4 2631 -1 14 {} Si 0.0 {0.66505 0.255371 0.438865} Si5 2632 -1 7 {} N 0.0 {0.65632 0.289865 0.442469} N2 2633 -1 7 {} N 0.0 {0.650138 0.284152 0.470629} N3 2634 -1 7 {} N 0.0 {0.629837 0.277221 0.444019} N4 2635 -1 7 {} N 0.0 {0.657517 0.23872 0.434088} N5 2636 -1 7 {} N 0.0 {0.664722 0.265808 0.423906} N6 2637 -1 7 {} N 0.0 {0.683277 0.253487 0.445707} N7 2638 -1 8 {} O 0.0 {0.611129 0.698205 0.622963} O3 2639 -1 6 {} C 0.0 {0.634128 0.262811 0.469456} C1 2640 -1 8 {} O 0.0 {0.355983 0.685603 0.436552} O4 2641 -1 7 {} N 0.0 {0.721533 0.541878 0.359179} N8 2642 -1 8 {} O 0.0 {0.736492 0.547032 0.333197} O5 2643 -1 1 {} H 0.0 {0.735011 0.522406 0.310472} H1 2644 -1 1 {} H 0.0 {0.699567 0.528194 0.310238} H2 2645 -1 1 {} H 0.0 {0.655896 0.297562 0.44865} H3 2646 -1 1 {} H 0.0 {0.649085 0.291513 0.435584} H4 2647 -1 1 {} H 0.0 {0.641287 0.289131 0.469771} H5 2648 -1 1 {} H 0.0 {0.658211 0.29023 0.468185} H6 2649 -1 1 {} H 0.0 {0.627913 0.266791 0.444249} H7 2650 -1 1 {} H 0.0 {0.628494 0.2797 0.433759} H8 2651 -1 1 {} H 0.0 {0.64833 0.239208 0.438597} H9 2652 -1 1 {} H 0.0 {0.655493 0.240835 0.424602} H10 2653 -1 1 {} H 0.0 {0.672458 0.271905 0.426542} H11 2654 -1 1 {} H 0.0 {0.655858 0.270692 0.426346} H12 2655 -1 1 {} H 0.0 {0.686813 0.247217 0.43805} H13 2656 -1 1 {} H 0.0 {0.685587 0.262903 0.444191} H14 2657 -1 1 {} H 0.0 {0.603907 0.704776 0.619521} H15 2658 -1 1 {} H 0.0 {0.641412 0.259718 0.476726} H16 2659 -1 1 {} H 0.0 {0.626762 0.269222 0.473022} H17 2660 -1 1 {} H 0.0 {0.635301 0.258224 0.460227} H18 2661 -1 1 {} H 0.0 {0.391323 0.359973 0.662367} H19 2662 -1 1 {} H 0.0 {0.728362 0.534825 0.360528} H20 2663 -1 1 {} H 0.0 {0.711793 0.538571 0.359925} H21 2664 -1 1 {} H 0.0 {0.735359 0.55072 0.324024} H22 2665 -1 14 {} Si 0.0 {0.59588 0.59398 0.413793} Si1 2666 -1 8 {} O 0.0 {0.590639 0.59064 0.427753} O1 2667 -1 14 {} Si 0.0 {0.539184 0.305811 0.485397} Si2 2668 -1 8 {} O 0.0 {0.545455 0.30907 0.499468} O2 2669 -1 14 {} Si 0.0 {0.554642 0.321194 0.505222} Si3 2670 -1 7 {} N 0.0 {0.549657 0.329678 0.517886} N1 2671 -1 14 {} Si 0.0 {0.543354 0.343988 0.523396} Si4 2672 -1 14 {} Si 0.0 {0.543103 0.319794 0.529008} Si5 2673 -1 7 {} N 0.0 {0.523235 0.382828 0.500774} N2 2674 -1 7 {} N 0.0 {0.522528 0.347252 0.52319} N3 2675 -1 7 {} N 0.0 {0.557176 0.358542 0.525916} N4 2676 -1 7 {} N 0.0 {0.524273 0.316508 0.530329} N5 2677 -1 7 {} N 0.0 {0.553106 0.318229 0.547206} N6 2678 -1 7 {} N 0.0 {0.673002 0.592348 0.470869} N7 2679 -1 8 {} O 0.0 {0.575625 0.599137 0.405934} O3 2680 -1 6 {} C 0.0 {0.608179 0.585271 0.405565} C1 2681 -1 8 {} O 0.0 {0.598205 0.60874 0.41987} O4 2682 -1 7 {} N 0.0 {0.574825 0.322895 0.49964} N8 2683 -1 8 {} O 0.0 {0.726149 0.518266 0.310932} O5 2684 -1 1 {} H 0.0 {0.549012 0.294381 0.47824} H1 2685 -1 1 {} H 0.0 {0.540675 0.318873 0.476238} H2 2686 -1 1 {} H 0.0 {0.525597 0.387911 0.509386} H3 2687 -1 1 {} H 0.0 {0.528826 0.386442 0.492667} H4 2688 -1 1 {} H 0.0 {0.521939 0.346161 0.512902} H5 2689 -1 1 {} H 0.0 {0.519202 0.33809 0.526332} H6 2690 -1 1 {} H 0.0 {0.565426 0.352748 0.528701} H7 2691 -1 1 {} H 0.0 {0.559115 0.360662 0.515999} H8 2692 -1 1 {} H 0.0 {0.52108 0.312971 0.52153} H9 2693 -1 1 {} H 0.0 {0.523806 0.308137 0.536445} H10 2694 -1 1 {} H 0.0 {0.562242 0.313916 0.544667} H11 2695 -1 1 {} H 0.0 {0.547105 0.310283 0.550373} H12 2696 -1 1 {} H 0.0 {0.681147 0.591842 0.477234} H13 2697 -1 1 {} H 0.0 {0.665204 0.593535 0.477584} H14 2698 -1 1 {} H 0.0 {0.577714 0.599298 0.39617} H15 2699 -1 1 {} H 0.0 {0.617819 0.589101 0.408587} H16 2700 -1 1 {} H 0.0 {0.607068 0.585341 0.394965} H17 2701 -1 1 {} H 0.0 {0.616847 0.572453 0.438451} H18 2702 -1 1 {} H 0.0 {0.590691 0.61447 0.418603} H19 2703 -1 1 {} H 0.0 {0.577134 0.332968 0.49968} H20 2704 -1 1 {} H 0.0 {0.572427 0.321845 0.490225} H21 2705 -1 1 {} H 0.0 {0.513036 0.51187 0.677247} H22 2706 -1 14 {} Si 0.0 {0.468322 0.538096 0.520168} Si1 2707 -1 8 {} O 0.0 {0.47087 0.525661 0.510958} O1 2708 -1 14 {} Si 0.0 {0.47603 0.520321 0.49752} Si2 2709 -1 8 {} O 0.0 {0.488889 0.528983 0.497278} O2 2710 -1 14 {} Si 0.0 {0.502796 0.528409 0.490615} Si3 2711 -1 7 {} N 0.0 {0.514014 0.512409 0.486899} N1 2712 -1 14 {} Si 0.0 {0.529486 0.509332 0.48992} Si4 2713 -1 14 {} Si 0.0 {0.508608 0.498846 0.478771} Si5 2714 -1 7 {} N 0.0 {0.536492 0.491171 0.487586} N2 2715 -1 7 {} N 0.0 {0.53343 0.514603 0.507948} N3 2716 -1 7 {} N 0.0 {0.538624 0.521993 0.475849} N4 2717 -1 7 {} N 0.0 {0.49113 0.502724 0.471965} N5 2718 -1 7 {} N 0.0 {0.518977 0.496308 0.462406} N6 2719 -1 7 {} N 0.0 {0.505726 0.48344 0.490285} N7 2720 -1 8 {} O 0.0 {0.452112 0.538665 0.516307} O3 2721 -1 6 {} C 0.0 {0.478372 0.552385 0.522439} C1 2722 -1 8 {} O 0.0 {0.466569 0.522993 0.536359} O4 2723 -1 7 {} N 0.0 {0.515119 0.54097 0.495961} N8 2724 -1 8 {} O 0.0 {0.496264 0.531492 0.476268} O5 2725 -1 1 {} H 0.0 {0.46659 0.524929 0.485523} H1 2726 -1 1 {} H 0.0 {0.488629 0.497029 0.491295} H2 2727 -1 1 {} H 0.0 {0.546019 0.49244 0.490794} H3 2728 -1 1 {} H 0.0 {0.536818 0.49125 0.477219} H4 2729 -1 1 {} H 0.0 {0.538793 0.522986 0.506437} H5 2730 -1 1 {} H 0.0 {0.524107 0.517276 0.510342} H6 2731 -1 1 {} H 0.0 {0.532476 0.529971 0.47823} H7 2732 -1 1 {} H 0.0 {0.534789 0.518583 0.467456} H8 2733 -1 1 {} H 0.0 {0.491317 0.500633 0.462081} H9 2734 -1 1 {} H 0.0 {0.491669 0.512578 0.472011} H10 2735 -1 1 {} H 0.0 {0.511197 0.49721 0.456159} H11 2736 -1 1 {} H 0.0 {0.524181 0.504964 0.461797} H12 2737 -1 1 {} H 0.0 {0.495399 0.482244 0.492284} H13 2738 -1 1 {} H 0.0 {0.510303 0.487449 0.498563} H14 2739 -1 1 {} H 0.0 {0.448622 0.530206 0.51347} H15 2740 -1 1 {} H 0.0 {0.493367 0.546596 0.516585} H16 2741 -1 1 {} H 0.0 {0.475224 0.556544 0.531357} H17 2742 -1 1 {} H 0.0 {0.477091 0.559047 0.514041} H18 2743 -1 1 {} H 0.0 {0.467954 0.513821 0.531796} H19 2744 -1 1 {} H 0.0 {0.524284 0.537116 0.493481} H20 2745 -1 1 {} H 0.0 {0.514291 0.541559 0.505994} H21 2746 -1 1 {} H 0.0 {0.494651 0.541231 0.474524} H22 2747 -1 14 {} Si 0.0 {0.526475 0.449549 0.483641} Si1 2748 -1 8 {} O 0.0 {0.535867 0.448574 0.471219} O1 2749 -1 14 {} Si 0.0 {0.537697 0.447308 0.455342} Si2 2750 -1 8 {} O 0.0 {0.551914 0.44049 0.45474} O2 2751 -1 14 {} Si 0.0 {0.525822 0.42375 0.45115} Si3 2752 -1 7 {} N 0.0 {0.515865 0.415981 0.461371} N1 2753 -1 14 {} Si 0.0 {0.501912 0.408906 0.466999} Si4 2754 -1 14 {} Si 0.0 {0.525416 0.41543 0.474415} Si5 2755 -1 7 {} N 0.0 {0.490305 0.407483 0.451942} N2 2756 -1 7 {} N 0.0 {0.492122 0.419705 0.480055} N3 2757 -1 7 {} N 0.0 {0.503523 0.390207 0.474434} N4 2758 -1 7 {} N 0.0 {0.5383 0.400425 0.475349} N5 2759 -1 7 {} N 0.0 {0.559748 0.400921 0.537378} N6 2760 -1 7 {} N 0.0 {0.525216 0.429461 0.489042} N7 2761 -1 8 {} O 0.0 {0.510925 0.458682 0.474559} O3 2762 -1 6 {} C 0.0 {0.502416 0.448631 0.485793} C1 2763 -1 8 {} O 0.0 {0.536691 0.459406 0.490318} O4 2764 -1 7 {} N 0.0 {0.534695 0.410993 0.438485} N8 2765 -1 8 {} O 0.0 {0.517288 0.442152 0.450068} O5 2766 -1 1 {} H 0.0 {0.538415 0.462509 0.451139} H1 2767 -1 1 {} H 0.0 {0.543325 0.496085 0.416293} H2 2768 -1 1 {} H 0.0 {0.496519 0.411591 0.444969} H3 2769 -1 1 {} H 0.0 {0.483529 0.414844 0.45453} H4 2770 -1 1 {} H 0.0 {0.487516 0.412495 0.485459} H5 2771 -1 1 {} H 0.0 {0.499487 0.420845 0.486921} H6 2772 -1 1 {} H 0.0 {0.497653 0.385564 0.467384} H7 2773 -1 1 {} H 0.0 {0.497233 0.391003 0.482622} H8 2774 -1 1 {} H 0.0 {0.546903 0.406406 0.476277} H9 2775 -1 1 {} H 0.0 {0.55649 0.440963 0.463531} H10 2776 -1 1 {} H 0.0 {0.569742 0.398706 0.535621} H11 2777 -1 1 {} H 0.0 {0.556462 0.410294 0.535865} H12 2778 -1 1 {} H 0.0 {0.517648 0.426464 0.495377} H13 2779 -1 1 {} H 0.0 {0.533757 0.427838 0.494139} H14 2780 -1 1 {} H 0.0 {0.510321 0.467253 0.479326} H15 2781 -1 1 {} H 0.0 {0.505016 0.442065 0.493513} H16 2782 -1 1 {} H 0.0 {0.496482 0.442286 0.479243} H17 2783 -1 1 {} H 0.0 {0.496873 0.456124 0.492224} H18 2784 -1 1 {} H 0.0 {0.53629 0.469003 0.488683} H19 2785 -1 1 {} H 0.0 {0.527378 0.412404 0.431779} H20 2786 -1 1 {} H 0.0 {0.530873 0.402944 0.443775} H21 2787 -1 1 {} H 0.0 {0.512418 0.443213 0.458733} H22 2788 -1 14 {} Si 0.0 {0.368558 0.578051 0.488718} Si1 2789 -1 8 {} O 0.0 {0.368547 0.574297 0.473635} O1 2790 -1 14 {} Si 0.0 {0.362635 0.570332 0.459893} Si2 2791 -1 8 {} O 0.0 {0.350984 0.579788 0.45947} O2 2792 -1 14 {} Si 0.0 {0.343977 0.593849 0.460809} Si3 2793 -1 7 {} N 0.0 {0.329291 0.5966 0.452536} N1 2794 -1 14 {} Si 0.0 {0.318098 0.607966 0.449966} Si4 2795 -1 14 {} Si 0.0 {0.320937 0.585276 0.443619} Si5 2796 -1 7 {} N 0.0 {0.307517 0.608609 0.466856} N2 2797 -1 7 {} N 0.0 {0.38946 0.678285 0.360658} N3 2798 -1 7 {} N 0.0 {0.324232 0.583522 0.486375} N4 2799 -1 7 {} N 0.0 {0.305692 0.597831 0.436085} N5 2800 -1 7 {} N 0.0 {0.330435 0.577177 0.427357} N6 2801 -1 7 {} N 0.0 {0.31334 0.570672 0.454069} N7 2802 -1 8 {} O 0.0 {0.377475 0.565642 0.492552} O3 2803 -1 6 {} C 0.0 {0.354327 0.583794 0.499597} C1 2804 -1 8 {} O 0.0 {0.384915 0.589481 0.486243} O4 2805 -1 7 {} N 0.0 {0.353095 0.610353 0.459614} N8 2806 -1 8 {} O 0.0 {0.339296 0.594182 0.481511} O5 2807 -1 1 {} H 0.0 {0.356546 0.558204 0.462199} H1 2808 -1 1 {} H 0.0 {0.391913 0.605349 0.456818} H2 2809 -1 1 {} H 0.0 {0.298864 0.606056 0.462853} H3 2810 -1 1 {} H 0.0 {0.31152 0.60056 0.472254} H4 2811 -1 1 {} H 0.0 {0.397383 0.683362 0.364373} H5 2812 -1 1 {} H 0.0 {0.385737 0.685783 0.354184} H6 2813 -1 1 {} H 0.0 {0.326101 0.574232 0.483353} H7 2814 -1 1 {} H 0.0 {0.324631 0.583143 0.496474} H8 2815 -1 1 {} H 0.0 {0.310629 0.601133 0.428187} H9 2816 -1 1 {} H 0.0 {0.297288 0.603717 0.437454} H10 2817 -1 1 {} H 0.0 {0.323272 0.57777 0.420082} H11 2818 -1 1 {} H 0.0 {0.331671 0.567353 0.429415} H12 2819 -1 1 {} H 0.0 {0.313567 0.562534 0.448434} H13 2820 -1 1 {} H 0.0 {0.320529 0.568912 0.461299} H14 2821 -1 1 {} H 0.0 {0.372528 0.557664 0.493836} H15 2822 -1 1 {} H 0.0 {0.345556 0.578947 0.495817} H16 2823 -1 1 {} H 0.0 {0.354863 0.594207 0.499738} H17 2824 -1 1 {} H 0.0 {0.356109 0.581116 0.509461} H18 2825 -1 1 {} H 0.0 {0.390874 0.581896 0.483886} H19 2826 -1 1 {} H 0.0 {0.347227 0.616056 0.453754} H20 2827 -1 1 {} H 0.0 {0.356099 0.616023 0.467359} H21 2828 -1 1 {} H 0.0 {0.337124 0.603562 0.482955} H22 2829 -1 14 {} Si 0.0 {0.565277 0.55901 0.476112} Si1 2830 -1 8 {} O 0.0 {0.561727 0.54409 0.475079} O1 2831 -1 14 {} Si 0.0 {0.554666 0.531521 0.469509} Si2 2832 -1 8 {} O 0.0 {0.567138 0.522521 0.467923} O2 2833 -1 14 {} Si 0.0 {0.580607 0.521467 0.461004} Si3 2834 -1 7 {} N 0.0 {0.584808 0.50268 0.455193} N1 2835 -1 14 {} Si 0.0 {0.571347 0.496485 0.44831} Si4 2836 -1 14 {} Si 0.0 {0.595526 0.491036 0.457943} Si5 2837 -1 7 {} N 0.0 {0.557139 0.494377 0.461071} N2 2838 -1 7 {} N 0.0 {0.57331 0.479877 0.438561} N3 2839 -1 7 {} N 0.0 {0.561816 0.508214 0.435812} N4 2840 -1 7 {} N 0.0 {0.588426 0.477175 0.469089} N5 2841 -1 7 {} N 0.0 {0.606427 0.484141 0.442719} N6 2842 -1 7 {} N 0.0 {0.611954 0.499664 0.470511} N7 2843 -1 8 {} O 0.0 {0.580055 0.558857 0.461317} O3 2844 -1 6 {} C 0.0 {0.566363 0.567629 0.49284} C1 2845 -1 8 {} O 0.0 {0.553006 0.562603 0.46648} O4 2846 -1 7 {} N 0.0 {0.5979 0.528427 0.468392} N8 2847 -1 8 {} O 0.0 {0.578337 0.530808 0.447814} O5 2848 -1 1 {} H 0.0 {0.548873 0.53502 0.455428} H1 2849 -1 1 {} H 0.0 {0.557164 0.498683 0.50837} H2 2850 -1 1 {} H 0.0 {0.555445 0.503959 0.464441} H3 2851 -1 1 {} H 0.0 {0.562186 0.489398 0.467811} H4 2852 -1 1 {} H 0.0 {0.582838 0.47988 0.437526} H5 2853 -1 1 {} H 0.0 {0.570119 0.482495 0.428925} H6 2854 -1 1 {} H 0.0 {0.553583 0.510482 0.44126} H7 2855 -1 1 {} H 0.0 {0.56757 0.515844 0.439106} H8 2856 -1 1 {} H 0.0 {0.581843 0.472828 0.462867} H9 2857 -1 1 {} H 0.0 {0.59717 0.471673 0.469672} H10 2858 -1 1 {} H 0.0 {0.610868 0.476742 0.448481} H11 2859 -1 1 {} H 0.0 {0.613285 0.491309 0.441477} H12 2860 -1 1 {} H 0.0 {0.615237 0.502247 0.480425} H13 2861 -1 1 {} H 0.0 {0.608483 0.508606 0.466608} H14 2862 -1 1 {} H 0.0 {0.588461 0.564174 0.462883} H15 2863 -1 1 {} H 0.0 {0.574979 0.573191 0.494749} H16 2864 -1 1 {} H 0.0 {0.565505 0.559674 0.49907} H17 2865 -1 1 {} H 0.0 {0.557886 0.574395 0.49148} H18 2866 -1 1 {} H 0.0 {0.557193 0.5658 0.458201} H19 2867 -1 1 {} H 0.0 {0.601319 0.532092 0.459355} H20 2868 -1 1 {} H 0.0 {0.594448 0.536974 0.473004} H21 2869 -1 1 {} H 0.0 {0.576073 0.540004 0.450649} H22 2870 -1 14 {} Si 0.0 {0.545136 0.538631 0.351257} Si1 2871 -1 8 {} O 0.0 {0.551964 0.541169 0.364991} O1 2872 -1 14 {} Si 0.0 {0.557805 0.549364 0.377581} Si2 2873 -1 8 {} O 0.0 {0.568625 0.539599 0.383381} O2 2874 -1 14 {} Si 0.0 {0.581393 0.53034 0.381109} Si3 2875 -1 7 {} N 0.0 {0.58422 0.516817 0.394802} N1 2876 -1 14 {} Si 0.0 {0.590492 0.518652 0.41041} Si4 2877 -1 14 {} Si 0.0 {0.583505 0.500524 0.393209} Si5 2878 -1 7 {} N 0.0 {0.608889 0.525178 0.411426} N2 2879 -1 7 {} N 0.0 {0.591998 0.50547 0.424119} N3 2880 -1 7 {} N 0.0 {0.578298 0.531023 0.418117} N4 2881 -1 7 {} N 0.0 {0.580462 0.496403 0.374659} N5 2882 -1 7 {} N 0.0 {0.599283 0.49051 0.396821} N6 2883 -1 7 {} N 0.0 {0.568403 0.493771 0.404454} N7 2884 -1 8 {} O 0.0 {0.531826 0.526212 0.36055} O3 2885 -1 6 {} C 0.0 {0.555292 0.533035 0.336826} C1 2886 -1 8 {} O 0.0 {0.536568 0.551897 0.351297} O4 2887 -1 7 {} N 0.0 {0.599115 0.536168 0.379325} N8 2888 -1 8 {} O 0.0 {0.577149 0.524796 0.367136} O5 2889 -1 1 {} H 0.0 {0.544733 0.551449 0.388427} H1 2890 -1 1 {} H 0.0 {0.563684 0.561484 0.373859} H2 2891 -1 1 {} H 0.0 {0.606888 0.534997 0.412442} H3 2892 -1 1 {} H 0.0 {0.611126 0.520923 0.420376} H4 2893 -1 1 {} H 0.0 {0.584586 0.509215 0.430771} H5 2894 -1 1 {} H 0.0 {0.587208 0.497737 0.419576} H6 2895 -1 1 {} H 0.0 {0.579492 0.530499 0.428335} H7 2896 -1 1 {} H 0.0 {0.56869 0.527792 0.415931} H8 2897 -1 1 {} H 0.0 {0.579237 0.505909 0.371059} H9 2898 -1 1 {} H 0.0 {0.589505 0.492619 0.371874} H10 2899 -1 1 {} H 0.0 {0.602224 0.489442 0.387714} H11 2900 -1 1 {} H 0.0 {0.604293 0.497318 0.402527} H12 2901 -1 1 {} H 0.0 {0.565185 0.486846 0.39743} H13 2902 -1 1 {} H 0.0 {0.562863 0.501991 0.403144} H14 2903 -1 1 {} H 0.0 {0.536488 0.522565 0.367981} H15 2904 -1 1 {} H 0.0 {0.563043 0.540191 0.33557} H16 2905 -1 1 {} H 0.0 {0.549555 0.532884 0.327798} H17 2906 -1 1 {} H 0.0 {0.559602 0.523494 0.340448} H18 2907 -1 1 {} H 0.0 {0.530501 0.551787 0.358964} H19 2908 -1 1 {} H 0.0 {0.603232 0.53081 0.371991} H20 2909 -1 1 {} H 0.0 {0.604125 0.532969 0.387489} H21 2910 -1 1 {} H 0.0 {0.567991 0.528571 0.365696} H22 2911 -1 14 {} Si 0.0 {0.629631 0.259455 0.50843} Si1 2912 -1 8 {} O 0.0 {0.627113 0.273803 0.503136} O1 2913 -1 14 {} Si 0.0 {0.625413 0.28929 0.502688} Si2 2914 -1 8 {} O 0.0 {0.613936 0.289814 0.491695} O2 2915 -1 14 {} Si 0.0 {0.599993 0.288388 0.484175} Si3 2916 -1 7 {} N 0.0 {0.614103 0.23981 0.478912} N1 2917 -1 14 {} Si 0.0 {0.618799 0.244635 0.464698} Si4 2918 -1 14 {} Si 0.0 {0.569035 0.317218 0.436014} Si5 2919 -1 7 {} N 0.0 {0.682298 0.616342 0.624023} N2 2920 -1 7 {} N 0.0 {0.629724 0.231279 0.455379} N3 2921 -1 7 {} N 0.0 {0.322302 0.552331 0.478791} N4 2922 -1 7 {} N 0.0 {0.556288 0.31565 0.422264} N5 2923 -1 7 {} N 0.0 {0.562133 0.307602 0.45023} N6 2924 -1 7 {} N 0.0 {0.594254 0.362876 0.50095} N7 2925 -1 8 {} O 0.0 {0.610509 0.254039 0.506146} O3 2926 -1 6 {} C 0.0 {0.615077 0.245309 0.52075} C1 2927 -1 8 {} O 0.0 {0.636157 0.253238 0.495041} O4 2928 -1 7 {} N 0.0 {0.60451 0.305221 0.411869} N8 2929 -1 8 {} O 0.0 {0.541339 0.475944 0.445109} O5 2930 -1 1 {} H 0.0 {0.68037 0.317656 0.49159} H1 2931 -1 1 {} H 0.0 {0.617216 0.294107 0.516669} H2 2932 -1 1 {} H 0.0 {0.673624 0.610143 0.625146} H3 2933 -1 1 {} H 0.0 {0.689476 0.609927 0.62008} H4 2934 -1 1 {} H 0.0 {0.637153 0.228702 0.461596} H5 2935 -1 1 {} H 0.0 {0.624044 0.223091 0.455671} H6 2936 -1 1 {} H 0.0 {0.314423 0.547224 0.483405} H7 2937 -1 1 {} H 0.0 {0.329889 0.549922 0.485082} H8 2938 -1 1 {} H 0.0 {0.55599 0.324362 0.41722} H9 2939 -1 1 {} H 0.0 {0.548481 0.315252 0.428291} H10 2940 -1 1 {} H 0.0 {0.553561 0.302095 0.448497} H11 2941 -1 1 {} H 0.0 {0.559966 0.314922 0.457559} H12 2942 -1 1 {} H 0.0 {0.600509 0.359932 0.508764} H13 2943 -1 1 {} H 0.0 {0.599324 0.360382 0.492276} H14 2944 -1 1 {} H 0.0 {0.611522 0.24678 0.500323} H15 2945 -1 1 {} H 0.0 {0.611654 0.249617 0.530111} H16 2946 -1 1 {} H 0.0 {0.624492 0.242443 0.523825} H17 2947 -1 1 {} H 0.0 {0.61126 0.235754 0.518392} H18 2948 -1 1 {} H 0.0 {0.629507 0.251905 0.48812} H19 2949 -1 1 {} H 0.0 {0.5959 0.305963 0.416433} H20 2950 -1 1 {} H 0.0 {0.603389 0.304386 0.402213} H21 2951 -1 1 {} H 0.0 {0.550186 0.480105 0.446842} H22 2952 -1 14 {} Si 0.0 {0.364058 0.483174 0.605552} Si1 2953 -1 8 {} O 0.0 {0.366527 0.498743 0.604965} O1 2954 -1 14 {} Si 0.0 {0.372126 0.511704 0.610824} Si2 2955 -1 8 {} O 0.0 {0.385871 0.506223 0.61425} O2 2956 -1 14 {} Si 0.0 {0.390071 0.500904 0.628265} Si3 2957 -1 7 {} N 0.0 {0.40465 0.510774 0.637853} N1 2958 -1 14 {} Si 0.0 {0.414934 0.522106 0.630679} Si4 2959 -1 14 {} Si 0.0 {0.411202 0.507152 0.652369} Si5 2960 -1 7 {} N 0.0 {0.432082 0.516132 0.626068} N2 2961 -1 7 {} N 0.0 {0.417731 0.536721 0.641629} N3 2962 -1 7 {} N 0.0 {0.405909 0.529764 0.616221} N4 2963 -1 7 {} N 0.0 {0.432168 0.508417 0.655536} N5 2964 -1 7 {} N 0.0 {0.404332 0.516913 0.667383} N6 2965 -1 7 {} N 0.0 {0.409567 0.4891 0.655482} N7 2966 -1 8 {} O 0.0 {0.346603 0.486087 0.594751} O3 2967 -1 6 {} C 0.0 {0.36384 0.47279 0.621319} C1 2968 -1 8 {} O 0.0 {0.373033 0.479116 0.593575} O4 2969 -1 7 {} N 0.0 {0.570367 0.403021 0.683505} N8 2970 -1 8 {} O 0.0 {0.377209 0.49491 0.635091} O5 2971 -1 1 {} H 0.0 {0.351625 0.487239 0.582699} H1 2972 -1 1 {} H 0.0 {0.395308 0.543092 0.601678} H2 2973 -1 1 {} H 0.0 {0.431417 0.518874 0.616015} H3 2974 -1 1 {} H 0.0 {0.43816 0.524166 0.629391} H4 2975 -1 1 {} H 0.0 {0.415059 0.534031 0.651134} H5 2976 -1 1 {} H 0.0 {0.428023 0.537738 0.64162} H6 2977 -1 1 {} H 0.0 {0.396812 0.525414 0.615248} H7 2978 -1 1 {} H 0.0 {0.411526 0.525544 0.608865} H8 2979 -1 1 {} H 0.0 {0.434099 0.498703 0.658522} H9 2980 -1 1 {} H 0.0 {0.431424 0.513593 0.664631} H10 2981 -1 1 {} H 0.0 {0.401865 0.509991 0.673446} H11 2982 -1 1 {} H 0.0 {0.395951 0.520692 0.661981} H12 2983 -1 1 {} H 0.0 {0.415207 0.487374 0.663678} H13 2984 -1 1 {} H 0.0 {0.413348 0.484902 0.647047} H14 2985 -1 1 {} H 0.0 {0.344288 0.495828 0.596718} H15 2986 -1 1 {} H 0.0 {0.353328 0.468581 0.621924} H16 2987 -1 1 {} H 0.0 {0.365412 0.480671 0.628892} H17 2988 -1 1 {} H 0.0 {0.372188 0.465511 0.619991} H18 2989 -1 1 {} H 0.0 {0.369334 0.478257 0.584788} H19 2990 -1 1 {} H 0.0 {0.571942 0.401959 0.673353} H20 2991 -1 1 {} H 0.0 {0.560462 0.403082 0.684435} H21 2992 -1 1 {} H 0.0 {0.512924 0.507526 0.738915} H22 2993 -1 14 {} Si 0.0 {0.491918 0.589463 0.543475} Si1 2994 -1 8 {} O 0.0 {0.492974 0.587277 0.55897} O1 2995 -1 14 {} Si 0.0 {0.502709 0.583563 0.571393} Si2 2996 -1 8 {} O 0.0 {0.515733 0.592649 0.572013} O2 2997 -1 14 {} Si 0.0 {0.523822 0.603733 0.564045} Si3 2998 -1 7 {} N 0.0 {0.536851 0.613591 0.57428} N1 2999 -1 14 {} Si 0.0 {0.546115 0.625805 0.569253} Si4 3000 -1 14 {} Si 0.0 {0.536167 0.611784 0.590579} Si5 3001 -1 7 {} N 0.0 {0.534961 0.641316 0.565299} N2 3002 -1 7 {} N 0.0 {0.551103 0.61961 0.551024} N3 3003 -1 7 {} N 0.0 {0.564175 0.629708 0.576743} N4 3004 -1 7 {} N 0.0 {0.527683 0.595513 0.597854} N5 3005 -1 7 {} N 0.0 {0.55279 0.614232 0.6} N6 3006 -1 7 {} N 0.0 {0.522158 0.625926 0.596879} N7 3007 -1 8 {} O 0.0 {0.493052 0.612604 0.528577} O3 3008 -1 6 {} C 0.0 {0.476114 0.585343 0.533302} C1 3009 -1 8 {} O 0.0 {0.506405 0.586957 0.539073} O4 3010 -1 7 {} N 0.0 {0.514097 0.618308 0.554015} N8 3011 -1 8 {} O 0.0 {0.530765 0.593145 0.554702} O5 3012 -1 1 {} H 0.0 {0.50774 0.570631 0.571069} H1 3013 -1 1 {} H 0.0 {0.495876 0.587934 0.585021} H2 3014 -1 1 {} H 0.0 {0.531171 0.639548 0.555833} H3 3015 -1 1 {} H 0.0 {0.542308 0.648014 0.564965} H4 3016 -1 1 {} H 0.0 {0.546426 0.610622 0.550667} H5 3017 -1 1 {} H 0.0 {0.54594 0.626865 0.546612} H6 3018 -1 1 {} H 0.0 {0.561668 0.630473 0.586711} H7 3019 -1 1 {} H 0.0 {0.566852 0.638612 0.573092} H8 3020 -1 1 {} H 0.0 {0.518333 0.600053 0.600202} H9 3021 -1 1 {} H 0.0 {0.525692 0.590062 0.589318} H10 3022 -1 1 {} H 0.0 {0.55385 0.623891 0.602804} H11 3023 -1 1 {} H 0.0 {0.551094 0.609393 0.608146} H12 3024 -1 1 {} H 0.0 {0.519845 0.628674 0.587576} H13 3025 -1 1 {} H 0.0 {0.52913 0.632668 0.600709} H14 3026 -1 1 {} H 0.0 {0.485617 0.618573 0.526211} H15 3027 -1 1 {} H 0.0 {0.478942 0.583356 0.52312} H16 3028 -1 1 {} H 0.0 {0.468329 0.592847 0.534297} H17 3029 -1 1 {} H 0.0 {0.471347 0.576853 0.537686} H18 3030 -1 1 {} H 0.0 {0.513082 0.589645 0.545928} H19 3031 -1 1 {} H 0.0 {0.52129 0.62166 0.546668} H20 3032 -1 1 {} H 0.0 {0.512166 0.626228 0.560296} H21 3033 -1 1 {} H 0.0 {0.539751 0.590458 0.558513} H22 3034 -1 14 {} Si 0.0 {0.446094 0.53642 0.357225} Si1 3035 -1 8 {} O 0.0 {0.448876 0.510419 0.366686} O1 3036 -1 14 {} Si 0.0 {0.421574 0.518044 0.368686} Si2 3037 -1 8 {} O 0.0 {0.426287 0.504674 0.374321} O2 3038 -1 14 {} Si 0.0 {0.441229 0.502239 0.377622} Si3 3039 -1 7 {} N 0.0 {0.46958 0.534936 0.392181} N1 3040 -1 14 {} Si 0.0 {0.475067 0.531702 0.37735} Si4 3041 -1 14 {} Si 0.0 {0.470717 0.553467 0.409764} Si5 3042 -1 7 {} N 0.0 {0.471659 0.573312 0.335573} N2 3043 -1 7 {} N 0.0 {0.548734 0.510865 0.383984} N3 3044 -1 7 {} N 0.0 {0.495759 0.529323 0.378045} N4 3045 -1 7 {} N 0.0 {0.531138 0.568536 0.43445} N5 3046 -1 7 {} N 0.0 {0.474571 0.468211 0.581604} N6 3047 -1 7 {} N 0.0 {0.573521 0.562569 0.443892} N7 3048 -1 8 {} O 0.0 {0.460223 0.581118 0.321667} O3 3049 -1 6 {} C 0.0 {0.430873 0.535724 0.366493} C1 3050 -1 8 {} O 0.0 {0.448217 0.539508 0.342046} O4 3051 -1 7 {} N 0.0 {0.448744 0.503969 0.395951} N8 3052 -1 8 {} O 0.0 {0.392447 0.522814 0.377949} O5 3053 -1 1 {} H 0.0 {0.421179 0.51601 0.352224} H1 3054 -1 1 {} H 0.0 {0.406232 0.52038 0.37486} H2 3055 -1 1 {} H 0.0 {0.459479 0.574509 0.314454} H3 3056 -1 1 {} H 0.0 {0.46824 0.564106 0.339567} H4 3057 -1 1 {} H 0.0 {0.544723 0.511313 0.392931} H5 3058 -1 1 {} H 0.0 {0.551395 0.520841 0.381535} H6 3059 -1 1 {} H 0.0 {0.495412 0.529041 0.388637} H7 3060 -1 1 {} H 0.0 {0.497063 0.519348 0.375862} H8 3061 -1 1 {} H 0.0 {0.532859 0.560838 0.426853} H9 3062 -1 1 {} H 0.0 {0.522635 0.564651 0.438772} H10 3063 -1 1 {} H 0.0 {0.465193 0.464948 0.579219} H11 3064 -1 1 {} H 0.0 {0.474653 0.469509 0.5917} H12 3065 -1 1 {} H 0.0 {0.581768 0.561341 0.437218} H13 3066 -1 1 {} H 0.0 {0.567811 0.554637 0.440807} H14 3067 -1 1 {} H 0.0 {0.450958 0.580992 0.325235} H15 3068 -1 1 {} H 0.0 {0.501184 0.499841 0.43393} H16 3069 -1 1 {} H 0.0 {0.433535 0.538256 0.376916} H17 3070 -1 1 {} H 0.0 {0.424256 0.542952 0.362874} H18 3071 -1 1 {} H 0.0 {0.42428 0.556571 0.250264} H19 3072 -1 1 {} H 0.0 {0.440973 0.506144 0.401092} H20 3073 -1 1 {} H 0.0 {0.453855 0.512656 0.395355} H21 3074 -1 1 {} H 0.0 {0.389098 0.514354 0.373906} H22 3075 -1 14 {} Si 0.0 {0.364354 0.562492 0.370203} Si1 3076 -1 8 {} O 0.0 {0.366749 0.574851 0.360691} O1 3077 -1 14 {} Si 0.0 {0.666355 0.53159 0.57902} Si2 3078 -1 8 {} O 0.0 {0.680232 0.507251 0.587619} O2 3079 -1 14 {} Si 0.0 {0.670321 0.516 0.596629} Si3 3080 -1 7 {} N 0.0 {0.378169 0.466952 0.37377} N1 3081 -1 14 {} Si 0.0 {0.683372 0.501683 0.573139} Si4 3082 -1 14 {} Si 0.0 {0.374675 0.481773 0.37992} Si5 3083 -1 7 {} N 0.0 {0.68304 0.444365 0.509368} N2 3084 -1 7 {} N 0.0 {0.702288 0.501881 0.572606} N3 3085 -1 7 {} N 0.0 {0.677756 0.484926 0.570584} N4 3086 -1 7 {} N 0.0 {0.360825 0.488255 0.372785} N5 3087 -1 7 {} N 0.0 {0.389616 0.492651 0.378251} N6 3088 -1 7 {} N 0.0 {0.610396 0.584133 0.588363} N7 3089 -1 8 {} O 0.0 {0.669448 0.552443 0.561272} O3 3090 -1 6 {} C 0.0 {0.353435 0.549397 0.368087} C1 3091 -1 8 {} O 0.0 {0.651942 0.527166 0.57787} O4 3092 -1 7 {} N 0.0 {0.38848 0.468453 0.33934} N8 3093 -1 8 {} O 0.0 {0.677423 0.512349 0.563013} O5 3094 -1 1 {} H 0.0 {0.673167 0.5478 0.59266} H1 3095 -1 1 {} H 0.0 {0.668149 0.544247 0.568684} H2 3096 -1 1 {} H 0.0 {0.693275 0.440801 0.509928} H3 3097 -1 1 {} H 0.0 {0.679991 0.449792 0.517854} H4 3098 -1 1 {} H 0.0 {0.705823 0.503405 0.562941} H5 3099 -1 1 {} H 0.0 {0.703591 0.510677 0.577161} H6 3100 -1 1 {} H 0.0 {0.676092 0.483465 0.560503} H7 3101 -1 1 {} H 0.0 {0.686054 0.479232 0.572683} H8 3102 -1 1 {} H 0.0 {0.363658 0.495362 0.365362} H9 3103 -1 1 {} H 0.0 {0.358055 0.479958 0.367263} H10 3104 -1 1 {} H 0.0 {0.394861 0.486447 0.372051} H11 3105 -1 1 {} H 0.0 {0.394407 0.492015 0.387175} H12 3106 -1 1 {} H 0.0 {0.354512 0.533101 0.342511} H13 3107 -1 1 {} H 0.0 {0.600744 0.586615 0.588403} H14 3108 -1 1 {} H 0.0 {0.360156 0.581465 0.361947} H15 3109 -1 1 {} H 0.0 {0.354293 0.542466 0.375745} H16 3110 -1 1 {} H 0.0 {0.48228 0.525818 0.647493} H17 3111 -1 1 {} H 0.0 {0.34462 0.55281 0.363939} H18 3112 -1 1 {} H 0.0 {0.647526 0.532164 0.585508} H19 3113 -1 1 {} H 0.0 {0.390991 0.459494 0.334619} H20 3114 -1 1 {} H 0.0 {0.390675 0.466855 0.348833} H21 3115 -1 1 {} H 0.0 {0.673517 0.520134 0.568332} H22 3116 -1 14 {} Si 0.0 {0.478293 0.402679 0.393027} Si1 3117 -1 8 {} O 0.0 {0.477389 0.388729 0.398436} O1 3118 -1 14 {} Si 0.0 {0.472608 0.37438 0.401232} Si2 3119 -1 8 {} O 0.0 {0.460063 0.375867 0.392157} O2 3120 -1 14 {} Si 0.0 {0.451968 0.372821 0.378348} Si3 3121 -1 7 {} N 0.0 {0.459314 0.374282 0.363325} N1 3122 -1 14 {} Si 0.0 {0.469153 0.369703 0.351391} Si4 3123 -1 14 {} Si 0.0 {0.479019 0.387114 0.31849} Si5 3124 -1 7 {} N 0.0 {0.473653 0.385539 0.33808} N2 3125 -1 7 {} N 0.0 {0.460362 0.356841 0.340779} N3 3126 -1 7 {} N 0.0 {0.485306 0.363451 0.357927} N4 3127 -1 7 {} N 0.0 {0.498689 0.390016 0.31662} N5 3128 -1 7 {} N 0.0 {0.432742 0.392183 0.43423} N6 3129 -1 7 {} N 0.0 {0.428015 0.397467 0.350157} N7 3130 -1 8 {} O 0.0 {0.502938 0.422869 0.508757} O3 3131 -1 6 {} C 0.0 {0.491615 0.415111 0.397589} C1 3132 -1 8 {} O 0.0 {0.482109 0.400896 0.363857} O4 3133 -1 7 {} N 0.0 {0.437232 0.386234 0.379405} N8 3134 -1 8 {} O 0.0 {0.446618 0.3586 0.381219} O5 3135 -1 1 {} H 0.0 {0.425461 0.39917 0.434898} H1 3136 -1 1 {} H 0.0 {0.481749 0.364462 0.394043} H2 3137 -1 1 {} H 0.0 {0.480221 0.392126 0.34307} H3 3138 -1 1 {} H 0.0 {0.465122 0.390938 0.337571} H4 3139 -1 1 {} H 0.0 {0.467838 0.350621 0.338052} H5 3140 -1 1 {} H 0.0 {0.452798 0.351084 0.344732} H6 3141 -1 1 {} H 0.0 {0.484567 0.367394 0.367132} H7 3142 -1 1 {} H 0.0 {0.485383 0.353213 0.359799} H8 3143 -1 1 {} H 0.0 {0.501781 0.387798 0.326142} H9 3144 -1 1 {} H 0.0 {0.500495 0.380625 0.312386} H10 3145 -1 1 {} H 0.0 {0.441099 0.397725 0.436063} H11 3146 -1 1 {} H 0.0 {0.501276 0.430298 0.514089} H12 3147 -1 1 {} H 0.0 {0.418564 0.398657 0.347272} H13 3148 -1 1 {} H 0.0 {0.433189 0.402394 0.342668} H14 3149 -1 1 {} H 0.0 {0.49357 0.42022 0.508343} H15 3150 -1 1 {} H 0.0 {0.497629 0.412905 0.406446} H16 3151 -1 1 {} H 0.0 {0.487524 0.425182 0.398108} H17 3152 -1 1 {} H 0.0 {0.49846 0.41535 0.389389} H18 3153 -1 1 {} H 0.0 {0.480061 0.400769 0.37514} H19 3154 -1 1 {} H 0.0 {0.439893 0.394656 0.384625} H20 3155 -1 1 {} H 0.0 {0.436376 0.389529 0.369689} H21 3156 -1 1 {} H 0.0 {0.310363 0.436204 0.49475} H22 3157 -1 14 {} Si 0.0 {0.518878 0.413552 0.545217} Si1 3158 -1 8 {} O 0.0 {0.558112 0.399843 0.556982} O1 3159 -1 14 {} Si 0.0 {0.557046 0.417145 0.567662} Si2 3160 -1 8 {} O 0.0 {0.482981 0.45634 0.505216} O2 3161 -1 14 {} Si 0.0 {0.485851 0.454593 0.520988} Si3 3162 -1 7 {} N 0.0 {0.481798 0.466547 0.532695} N1 3163 -1 14 {} Si 0.0 {0.466423 0.472593 0.52909} Si4 3164 -1 14 {} Si 0.0 {0.48939 0.474148 0.544816} Si5 3165 -1 7 {} N 0.0 {0.4543 0.469311 0.544333} N2 3166 -1 7 {} N 0.0 {0.454942 0.462644 0.514257} N3 3167 -1 7 {} N 0.0 {0.467174 0.490349 0.525482} N4 3168 -1 7 {} N 0.0 {0.48194 0.487866 0.555683} N5 3169 -1 7 {} N 0.0 {0.494898 0.460324 0.557357} N6 3170 -1 7 {} N 0.0 {0.505781 0.48234 0.538374} N7 3171 -1 8 {} O 0.0 {0.509598 0.426854 0.544504} O3 3172 -1 6 {} C 0.0 {0.514686 0.399241 0.555576} C1 3173 -1 8 {} O 0.0 {0.533517 0.418533 0.542124} O4 3174 -1 7 {} N 0.0 {0.502732 0.449589 0.527299} N8 3175 -1 8 {} O 0.0 {0.475114 0.43654 0.52594} O5 3176 -1 1 {} H 0.0 {0.531623 0.46174 0.597255} H1 3177 -1 1 {} H 0.0 {0.565639 0.425788 0.561539} H2 3178 -1 1 {} H 0.0 {0.447256 0.476334 0.543038} H3 3179 -1 1 {} H 0.0 {0.450096 0.460661 0.540558} H4 3180 -1 1 {} H 0.0 {0.446633 0.468792 0.516138} H5 3181 -1 1 {} H 0.0 {0.452892 0.453495 0.518408} H6 3182 -1 1 {} H 0.0 {0.476475 0.492698 0.528204} H7 3183 -1 1 {} H 0.0 {0.467976 0.490163 0.515324} H8 3184 -1 1 {} H 0.0 {0.474516 0.483357 0.561144} H9 3185 -1 1 {} H 0.0 {0.477335 0.492849 0.547937} H10 3186 -1 1 {} H 0.0 {0.487244 0.46077 0.56404} H11 3187 -1 1 {} H 0.0 {0.502758 0.464841 0.562462} H12 3188 -1 1 {} H 0.0 {0.504079 0.487673 0.529822} H13 3189 -1 1 {} H 0.0 {0.508582 0.489394 0.544634} H14 3190 -1 1 {} H 0.0 {0.509788 0.430759 0.553002} H15 3191 -1 1 {} H 0.0 {0.524098 0.395496 0.558432} H16 3192 -1 1 {} H 0.0 {0.564418 0.394286 0.560955} H17 3193 -1 1 {} H 0.0 {0.508424 0.401892 0.563908} H18 3194 -1 1 {} H 0.0 {0.540389 0.411428 0.542307} H19 3195 -1 1 {} H 0.0 {0.503271 0.4425 0.534543} H20 3196 -1 1 {} H 0.0 {0.505219 0.457875 0.532195} H21 3197 -1 1 {} H 0.0 {0.472765 0.429864 0.517934} H22 3198 -1 14 {} Si 0.0 {0.526628 0.427158 0.4038} Si1 3199 -1 8 {} O 0.0 {0.515686 0.435488 0.395635} O1 3200 -1 14 {} Si 0.0 {0.512201 0.448441 0.386651} Si2 3201 -1 8 {} O 0.0 {0.498524 0.454205 0.391946} O2 3202 -1 14 {} Si 0.0 {0.485507 0.452156 0.400939} Si3 3203 -1 7 {} N 0.0 {0.477264 0.467129 0.405923} N1 3204 -1 14 {} Si 0.0 {0.458631 0.468644 0.411493} Si4 3205 -1 14 {} Si 0.0 {0.483097 0.479842 0.415044} Si5 3206 -1 7 {} N 0.0 {0.448548 0.47139 0.394112} N2 3207 -1 7 {} N 0.0 {0.454028 0.479765 0.421881} N3 3208 -1 7 {} N 0.0 {0.452808 0.449189 0.415052} N4 3209 -1 7 {} N 0.0 {0.478617 0.497885 0.411639} N5 3210 -1 7 {} N 0.0 {0.480325 0.473935 0.433297} N6 3211 -1 7 {} N 0.0 {0.50234 0.478794 0.413481} N7 3212 -1 8 {} O 0.0 {0.517397 0.423476 0.415575} O3 3213 -1 6 {} C 0.0 {0.543767 0.435154 0.407948} C1 3214 -1 8 {} O 0.0 {0.524844 0.413522 0.395677} O4 3215 -1 7 {} N 0.0 {0.489764 0.442125 0.416788} N8 3216 -1 8 {} O 0.0 {0.478345 0.441288 0.391424} O5 3217 -1 1 {} H 0.0 {0.508821 0.444041 0.372555} H1 3218 -1 1 {} H 0.0 {0.504203 0.474332 0.388389} H2 3219 -1 1 {} H 0.0 {0.439486 0.466454 0.397066} H3 3220 -1 1 {} H 0.0 {0.447209 0.481463 0.395918} H4 3221 -1 1 {} H 0.0 {0.47927 0.467167 0.486022} H5 3222 -1 1 {} H 0.0 {0.457493 0.488271 0.417791} H6 3223 -1 1 {} H 0.0 {0.444345 0.451048 0.420024} H7 3224 -1 1 {} H 0.0 {0.449695 0.443841 0.406387} H8 3225 -1 1 {} H 0.0 {0.469948 0.496002 0.407605} H9 3226 -1 1 {} H 0.0 {0.485897 0.500705 0.40542} H10 3227 -1 1 {} H 0.0 {0.48117 0.483121 0.4369} H11 3228 -1 1 {} H 0.0 {0.470545 0.471696 0.432429} H12 3229 -1 1 {} H 0.0 {0.501989 0.485279 0.405452} H13 3230 -1 1 {} H 0.0 {0.501823 0.469671 0.408904} H14 3231 -1 1 {} H 0.0 {0.50998 0.430288 0.415948} H15 3232 -1 1 {} H 0.0 {0.551386 0.43194 0.401365} H16 3233 -1 1 {} H 0.0 {0.546622 0.434013 0.417845} H17 3234 -1 1 {} H 0.0 {0.542884 0.445416 0.406184} H18 3235 -1 1 {} H 0.0 {0.522198 0.406664 0.402108} H19 3236 -1 1 {} H 0.0 {0.481013 0.439114 0.421197} H20 3237 -1 1 {} H 0.0 {0.490999 0.450543 0.42238} H21 3238 -1 1 {} H 0.0 {0.482582 0.441662 0.38239} H22 3239 -1 14 {} Si 0.0 {0.516295 0.618365 0.491394} Si1 3240 -1 8 {} O 0.0 {0.524359 0.617821 0.477455} O1 3241 -1 14 {} Si 0.0 {0.522985 0.616639 0.462022} Si2 3242 -1 8 {} O 0.0 {0.533266 0.627826 0.457593} O2 3243 -1 14 {} Si 0.0 {0.545132 0.637544 0.463144} Si3 3244 -1 7 {} N 0.0 {0.513417 0.579801 0.458077} N1 3245 -1 14 {} Si 0.0 {0.5006 0.585314 0.450381} Si4 3246 -1 14 {} Si 0.0 {0.51267 0.567672 0.468371} Si5 3247 -1 7 {} N 0.0 {0.494274 0.573227 0.436126} N2 3248 -1 7 {} N 0.0 {0.509664 0.616151 0.448507} N3 3249 -1 7 {} N 0.0 {0.505771 0.601189 0.440416} N4 3250 -1 7 {} N 0.0 {0.518599 0.573443 0.485715} N5 3251 -1 7 {} N 0.0 {0.524618 0.552929 0.463085} N6 3252 -1 7 {} N 0.0 {0.49553 0.560032 0.469748} N7 3253 -1 8 {} O 0.0 {0.474453 0.611754 0.467266} O3 3254 -1 6 {} C 0.0 {0.493749 0.643272 0.459552} C1 3255 -1 8 {} O 0.0 {0.502174 0.622643 0.48724} O4 3256 -1 7 {} N 0.0 {0.548641 0.655447 0.458674} N8 3257 -1 8 {} O 0.0 {0.516284 0.61668 0.512084} O5 3258 -1 1 {} H 0.0 {0.464386 0.611974 0.466884} H1 3259 -1 1 {} H 0.0 {0.532543 0.603577 0.457897} H2 3260 -1 1 {} H 0.0 {0.503875 0.570482 0.433759} H3 3261 -1 1 {} H 0.0 {0.492165 0.579252 0.428608} H4 3262 -1 1 {} H 0.0 {0.501903 0.620307 0.453275} H5 3263 -1 1 {} H 0.0 {0.511794 0.624608 0.442727} H6 3264 -1 1 {} H 0.0 {0.513969 0.597053 0.435974} H7 3265 -1 1 {} H 0.0 {0.499342 0.60308 0.432223} H8 3266 -1 1 {} H 0.0 {0.521644 0.564715 0.490188} H9 3267 -1 1 {} H 0.0 {0.527552 0.576227 0.482139} H10 3268 -1 1 {} H 0.0 {0.533896 0.556655 0.464996} H11 3269 -1 1 {} H 0.0 {0.52159 0.548503 0.471918} H12 3270 -1 1 {} H 0.0 {0.49087 0.56765 0.475167} H13 3271 -1 1 {} H 0.0 {0.4936 0.560458 0.46005} H14 3272 -1 1 {} H 0.0 {0.477002 0.614106 0.458189} H15 3273 -1 1 {} H 0.0 {0.499843 0.64687 0.46769} H16 3274 -1 1 {} H 0.0 {0.498752 0.638241 0.452158} H17 3275 -1 1 {} H 0.0 {0.485413 0.637952 0.461846} H18 3276 -1 1 {} H 0.0 {0.501977 0.632441 0.488278} H19 3277 -1 1 {} H 0.0 {0.558067 0.65718 0.454215} H20 3278 -1 1 {} H 0.0 {0.542534 0.658689 0.451139} H21 3279 -1 1 {} H 0.0 {0.507166 0.614569 0.514262} H22 3280 -1 14 {} Si 0.0 {0.497587 0.687973 0.527939} Si1 3281 -1 8 {} O 0.0 {0.502412 0.687049 0.507644} O1 3282 -1 14 {} Si 0.0 {0.50574 0.707771 0.509475} Si2 3283 -1 8 {} O 0.0 {0.504215 0.702357 0.523929} O2 3284 -1 14 {} Si 0.0 {0.468737 0.673444 0.464284} Si3 3285 -1 7 {} N 0.0 {0.468679 0.657098 0.463799} N1 3286 -1 14 {} Si 0.0 {0.483746 0.661332 0.449946} Si4 3287 -1 14 {} Si 0.0 {0.459603 0.647872 0.47307} Si5 3288 -1 7 {} N 0.0 {0.480734 0.650873 0.433759} N2 3289 -1 7 {} N 0.0 {0.472263 0.678625 0.448743} N3 3290 -1 7 {} N 0.0 {0.501951 0.670696 0.451801} N4 3291 -1 7 {} N 0.0 {0.45242 0.635874 0.459912} N5 3292 -1 7 {} N 0.0 {0.470664 0.637844 0.485913} N6 3293 -1 7 {} N 0.0 {0.444159 0.654918 0.480612} N7 3294 -1 8 {} O 0.0 {0.483089 0.692073 0.531212} O3 3295 -1 6 {} C 0.0 {0.474257 0.694959 0.560234} C1 3296 -1 8 {} O 0.0 {0.507104 0.684208 0.540054} O4 3297 -1 7 {} N 0.0 {0.392914 0.596809 0.501867} N8 3298 -1 8 {} O 0.0 {0.484561 0.676029 0.479481} O5 3299 -1 1 {} H 0.0 {0.521169 0.712103 0.508297} H1 3300 -1 1 {} H 0.0 {0.427202 0.570105 0.566336} H2 3301 -1 1 {} H 0.0 {0.475473 0.657225 0.427731} H3 3302 -1 1 {} H 0.0 {0.490307 0.650178 0.430011} H4 3303 -1 1 {} H 0.0 {0.457228 0.497617 0.45759} H5 3304 -1 1 {} H 0.0 {0.46514 0.675156 0.442248} H6 3305 -1 1 {} H 0.0 {0.502311 0.674872 0.461071} H7 3306 -1 1 {} H 0.0 {0.510077 0.664215 0.450502} H8 3307 -1 1 {} H 0.0 {0.447687 0.62983 0.465819} H9 3308 -1 1 {} H 0.0 {0.460554 0.631775 0.455522} H10 3309 -1 1 {} H 0.0 {0.478976 0.644758 0.486514} H11 3310 -1 1 {} H 0.0 {0.474415 0.630549 0.480543} H12 3311 -1 1 {} H 0.0 {0.435777 0.64902 0.479504} H13 3312 -1 1 {} H 0.0 {0.442556 0.663277 0.474899} H14 3313 -1 1 {} H 0.0 {0.483002 0.701983 0.531702} H15 3314 -1 1 {} H 0.0 {0.480974 0.688279 0.564878} H16 3315 -1 1 {} H 0.0 {0.465013 0.695243 0.578785} H17 3316 -1 1 {} H 0.0 {0.473129 0.692065 0.550435} H18 3317 -1 1 {} H 0.0 {0.516103 0.680548 0.538231} H19 3318 -1 1 {} H 0.0 {0.387688 0.605064 0.505039} H20 3319 -1 1 {} H 0.0 {0.436919 0.629563 0.497479} H21 3320 -1 1 {} H 0.0 {0.481241 0.685093 0.48336} H22 3321 -1 14 {} Si 0.0 {0.347451 0.403222 0.489415} Si1 3322 -1 8 {} O 0.0 {0.354673 0.413688 0.498702} O1 3323 -1 14 {} Si 0.0 {0.360861 0.422147 0.50977} Si2 3324 -1 8 {} O 0.0 {0.363416 0.441471 0.503041} O2 3325 -1 14 {} Si 0.0 {0.374073 0.46176 0.438393} Si3 3326 -1 7 {} N 0.0 {0.368381 0.457036 0.452532} N1 3327 -1 14 {} Si 0.0 {0.349181 0.288151 0.403276} Si4 3328 -1 14 {} Si 0.0 {0.375737 0.427007 0.420453} Si5 3329 -1 7 {} N 0.0 {0.58497 0.418049 0.284337} N2 3330 -1 7 {} N 0.0 {0.319916 0.413332 0.513435} N3 3331 -1 7 {} N 0.0 {0.467725 0.685048 0.382568} N4 3332 -1 7 {} N 0.0 {0.376254 0.447245 0.422986} N5 3333 -1 7 {} N 0.0 {0.388439 0.425738 0.437529} N6 3334 -1 7 {} N 0.0 {0.358926 0.42088 0.423496} N7 3335 -1 8 {} O 0.0 {0.330365 0.416031 0.483562} O3 3336 -1 6 {} C 0.0 {0.342672 0.386748 0.492944} C1 3337 -1 8 {} O 0.0 {0.359125 0.405056 0.477849} O4 3338 -1 7 {} N 0.0 {0.380209 0.511722 0.50723} N8 3339 -1 8 {} O 0.0 {0.343173 0.417685 0.53521} O5 3340 -1 1 {} H 0.0 {0.374753 0.417125 0.510755} H1 3341 -1 1 {} H 0.0 {0.352219 0.420344 0.523289} H2 3342 -1 1 {} H 0.0 {0.58204 0.413034 0.276131} H3 3343 -1 1 {} H 0.0 {0.59245 0.424005 0.281171} H4 3344 -1 1 {} H 0.0 {0.333532 0.418505 0.531774} H5 3345 -1 1 {} H 0.0 {0.342373 0.291819 0.413637} H6 3346 -1 1 {} H 0.0 {0.463544 0.675889 0.383358} H7 3347 -1 1 {} H 0.0 {0.478233 0.684735 0.381774} H8 3348 -1 1 {} H 0.0 {0.386353 0.449059 0.421039} H9 3349 -1 1 {} H 0.0 {0.371038 0.449907 0.414815} H10 3350 -1 1 {} H 0.0 {0.387778 0.435055 0.440994} H11 3351 -1 1 {} H 0.0 {0.383983 0.42025 0.445507} H12 3352 -1 1 {} H 0.0 {0.359708 0.415802 0.432496} H13 3353 -1 1 {} H 0.0 {0.354811 0.429725 0.426052} H14 3354 -1 1 {} H 0.0 {0.334586 0.425256 0.482622} H15 3355 -1 1 {} H 0.0 {0.3421 0.381739 0.483724} H16 3356 -1 1 {} H 0.0 {0.333771 0.38667 0.498937} H17 3357 -1 1 {} H 0.0 {0.347768 0.363971 0.510883} H18 3358 -1 1 {} H 0.0 {0.361834 0.414262 0.477035} H19 3359 -1 1 {} H 0.0 {0.376971 0.518997 0.514031} H20 3360 -1 1 {} H 0.0 {0.376328 0.503224 0.510803} H21 3361 -1 1 {} H 0.0 {0.33322 0.451022 0.498767} H22 3362 -1 14 {} Si 0.0 {0.287527 0.60821 0.542979} Si1 3363 -1 8 {} O 0.0 {0.274011 0.624389 0.537116} O1 3364 -1 14 {} Si 0.0 {0.274476 0.636075 0.548199} Si2 3365 -1 8 {} O 0.0 {0.283737 0.612219 0.562795} O2 3366 -1 14 {} Si 0.0 {0.454809 0.315487 0.575905} Si3 3367 -1 7 {} N 0.0 {0.447214 0.303908 0.583453} N1 3368 -1 14 {} Si 0.0 {0.709083 0.379652 0.510074} Si4 3369 -1 14 {} Si 0.0 {0.359264 0.303879 0.429261} Si5 3370 -1 7 {} N 0.0 {0.660925 0.229145 0.46612} N2 3371 -1 7 {} N 0.0 {0.703802 0.389908 0.524884} N3 3372 -1 7 {} N 0.0 {0.725036 0.37184 0.519861} N4 3373 -1 7 {} N 0.0 {0.360979 0.310741 0.443603} N5 3374 -1 7 {} N 0.0 {0.385152 0.264987 0.468457} N6 3375 -1 7 {} N 0.0 {0.359735 0.276789 0.406979} N7 3376 -1 8 {} O 0.0 {0.298067 0.603798 0.517799} O3 3377 -1 6 {} C 0.0 {0.302286 0.604776 0.534653} C1 3378 -1 8 {} O 0.0 {0.619323 0.278785 0.379986} O4 3379 -1 7 {} N 0.0 {0.463796 0.335361 0.367819} N8 3380 -1 8 {} O 0.0 {0.46878 0.313657 0.569053} O5 3381 -1 1 {} H 0.0 {0.607256 0.398844 0.336103} H1 3382 -1 1 {} H 0.0 {0.535944 0.496658 0.330968} H2 3383 -1 1 {} H 0.0 {0.667564 0.22117 0.46902} H3 3384 -1 1 {} H 0.0 {0.666452 0.235305 0.459778} H4 3385 -1 1 {} H 0.0 {0.711496 0.396949 0.525825} H5 3386 -1 1 {} H 0.0 {0.69554 0.393702 0.521132} H6 3387 -1 1 {} H 0.0 {0.724459 0.363323 0.514418} H7 3388 -1 1 {} H 0.0 {0.720383 0.370059 0.528428} H8 3389 -1 1 {} H 0.0 {0.495854 0.327224 0.597074} H9 3390 -1 1 {} H 0.0 {0.359163 0.320973 0.442474} H10 3391 -1 1 {} H 0.0 {0.387377 0.257417 0.474652} H11 3392 -1 1 {} H 0.0 {0.388973 0.263092 0.45957} H12 3393 -1 1 {} H 0.0 {0.425657 0.454722 0.301805} H13 3394 -1 1 {} H 0.0 {0.296205 0.343249 0.417433} H14 3395 -1 1 {} H 0.0 {0.300726 0.514293 0.601814} H15 3396 -1 1 {} H 0.0 {0.308544 0.613373 0.535769} H16 3397 -1 1 {} H 0.0 {0.301549 0.595446 0.515517} H17 3398 -1 1 {} H 0.0 {0.307076 0.595426 0.536718} H18 3399 -1 1 {} H 0.0 {0.610539 0.276604 0.385144} H19 3400 -1 1 {} H 0.0 {0.455482 0.333307 0.374132} H20 3401 -1 1 {} H 0.0 {0.463326 0.34533 0.366351} H21 3402 -1 1 {} H 0.0 {0.655451 0.223877 0.45838} H22 3403 -1 14 {} Si 0.0 {0.482483 0.542586 0.341864} Si1 3404 -1 8 {} O 0.0 {0.472089 0.549334 0.353106} O1 3405 -1 14 {} Si 0.0 {0.463169 0.551202 0.365694} Si2 3406 -1 8 {} O 0.0 {0.468505 0.521019 0.367671} O2 3407 -1 14 {} Si 0.0 {0.459252 0.515677 0.356097} Si3 3408 -1 7 {} N 0.0 {0.458955 0.563927 0.375634} N1 3409 -1 14 {} Si 0.0 {0.440671 0.548956 0.406639} Si4 3410 -1 14 {} Si 0.0 {0.453003 0.564433 0.391541} Si5 3411 -1 7 {} N 0.0 {0.477814 0.542041 0.400305} N2 3412 -1 7 {} N 0.0 {0.43831 0.531948 0.403471} N3 3413 -1 7 {} N 0.0 {0.5139 0.647212 0.433573} N4 3414 -1 7 {} N 0.0 {0.458121 0.577082 0.367764} N5 3415 -1 7 {} N 0.0 {0.45405 0.579414 0.399836} N6 3416 -1 7 {} N 0.0 {0.433392 0.559359 0.389585} N7 3417 -1 8 {} O 0.0 {0.474009 0.524224 0.341576} O3 3418 -1 6 {} C 0.0 {0.499926 0.546999 0.341881} C1 3419 -1 8 {} O 0.0 {0.473296 0.546421 0.329259} O4 3420 -1 7 {} N 0.0 {0.373766 0.614888 0.361372} N8 3421 -1 8 {} O 0.0 {0.386876 0.589268 0.391566} O5 3422 -1 1 {} H 0.0 {0.457741 0.540265 0.340444} H1 3423 -1 1 {} H 0.0 {0.486181 0.592218 0.345077} H2 3424 -1 1 {} H 0.0 {0.39147 0.529356 0.370616} H3 3425 -1 1 {} H 0.0 {0.538154 0.566118 0.441483} H4 3426 -1 1 {} H 0.0 {0.431548 0.532088 0.395987} H5 3427 -1 1 {} H 0.0 {0.432214 0.529593 0.411619} H6 3428 -1 1 {} H 0.0 {0.521959 0.651377 0.429145} H7 3429 -1 1 {} H 0.0 {0.50746 0.654726 0.434711} H8 3430 -1 1 {} H 0.0 {0.463825 0.577496 0.359055} H9 3431 -1 1 {} H 0.0 {0.460883 0.586135 0.372805} H10 3432 -1 1 {} H 0.0 {0.444554 0.580968 0.402821} H11 3433 -1 1 {} H 0.0 {0.459235 0.578381 0.408437} H12 3434 -1 1 {} H 0.0 {0.432798 0.559014 0.379044} H13 3435 -1 1 {} H 0.0 {0.4284 0.568879 0.391031} H14 3436 -1 1 {} H 0.0 {0.470513 0.523717 0.332954} H15 3437 -1 1 {} H 0.0 {0.500752 0.561307 0.336684} H16 3438 -1 1 {} H 0.0 {0.504757 0.540611 0.335174} H17 3439 -1 1 {} H 0.0 {0.504105 0.546476 0.35212} H18 3440 -1 1 {} H 0.0 {0.473928 0.53933 0.322391} H19 3441 -1 1 {} H 0.0 {0.366583 0.608215 0.359964} H20 3442 -1 1 {} H 0.0 {0.373693 0.618216 0.37131} H21 3443 -1 1 {} H 0.0 {0.39382 0.594327 0.395805} H22 3444 -1 14 {} Si 0.0 {0.609137 0.446606 0.415631} Si1 3445 -1 8 {} O 0.0 {0.606336 0.461127 0.42106} O1 3446 -1 14 {} Si 0.0 {0.608069 0.475772 0.425284} Si2 3447 -1 8 {} O 0.0 {0.621834 0.478953 0.419092} O2 3448 -1 14 {} Si 0.0 {0.634143 0.485359 0.412807} Si3 3449 -1 7 {} N 0.0 {0.650195 0.479099 0.417635} N1 3450 -1 14 {} Si 0.0 {0.65398 0.463311 0.4134} Si4 3451 -1 14 {} Si 0.0 {0.665914 0.483728 0.419187} Si5 3452 -1 7 {} N 0.0 {0.675753 0.466904 0.412749} N2 3453 -1 7 {} N 0.0 {0.649485 0.458716 0.394554} N3 3454 -1 7 {} N 0.0 {0.652457 0.449704 0.427007} N4 3455 -1 7 {} N 0.0 {0.672364 0.497465 0.407157} N5 3456 -1 7 {} N 0.0 {0.677423 0.650629 0.467879} N6 3457 -1 7 {} N 0.0 {0.670318 0.486938 0.438622} N7 3458 -1 8 {} O 0.0 {0.619644 0.452476 0.397486} O3 3459 -1 6 {} C 0.0 {0.600012 0.439242 0.40217} C1 3460 -1 8 {} O 0.0 {0.619349 0.442913 0.427425} O4 3461 -1 7 {} N 0.0 {0.637109 0.505536 0.408243} N8 3462 -1 8 {} O 0.0 {0.629898 0.4814 0.397682} O5 3463 -1 1 {} H 0.0 {0.644328 0.470962 0.447907} H1 3464 -1 1 {} H 0.0 {0.598554 0.48265 0.418926} H2 3465 -1 1 {} H 0.0 {0.680078 0.465328 0.422003} H3 3466 -1 1 {} H 0.0 {0.682034 0.472706 0.407602} H4 3467 -1 1 {} H 0.0 {0.644596 0.467346 0.392436} H5 3468 -1 1 {} H 0.0 {0.643098 0.451882 0.397617} H6 3469 -1 1 {} H 0.0 {0.660357 0.443441 0.425589} H7 3470 -1 1 {} H 0.0 {0.654956 0.454442 0.436143} H8 3471 -1 1 {} H 0.0 {0.671238 0.505749 0.413201} H9 3472 -1 1 {} H 0.0 {0.664271 0.498454 0.401154} H10 3473 -1 1 {} H 0.0 {0.675238 0.656462 0.459904} H11 3474 -1 1 {} H 0.0 {0.686798 0.646949 0.466623} H12 3475 -1 1 {} H 0.0 {0.660113 0.486753 0.442162} H13 3476 -1 1 {} H 0.0 {0.672577 0.497322 0.438057} H14 3477 -1 1 {} H 0.0 {0.623738 0.461961 0.39851} H15 3478 -1 1 {} H 0.0 {0.590608 0.435612 0.406514} H16 3479 -1 1 {} H 0.0 {0.605787 0.431157 0.397734} H17 3480 -1 1 {} H 0.0 {0.611519 0.454362 0.390503} H18 3481 -1 1 {} H 0.0 {0.628609 0.443804 0.424503} H19 3482 -1 1 {} H 0.0 {0.643709 0.506886 0.415272} H20 3483 -1 1 {} H 0.0 {0.62803 0.509707 0.410943} H21 3484 -1 1 {} H 0.0 {0.620848 0.482226 0.395191} H22 3485 -1 14 {} Si 0.0 {0.582083 0.501214 0.506298} Si1 3486 -1 8 {} O 0.0 {0.586859 0.488119 0.513466} O1 3487 -1 14 {} Si 0.0 {0.58625 0.472573 0.516873} Si2 3488 -1 8 {} O 0.0 {0.599566 0.47148 0.524909} O2 3489 -1 14 {} Si 0.0 {0.608365 0.47749 0.535997} Si3 3490 -1 7 {} N 0.0 {0.626827 0.472514 0.536372} N1 3491 -1 14 {} Si 0.0 {0.636618 0.462071 0.528769} Si4 3492 -1 14 {} Si 0.0 {0.635811 0.479574 0.551568} Si5 3493 -1 7 {} N 0.0 {0.631496 0.464853 0.509668} N2 3494 -1 7 {} N 0.0 {0.634598 0.444591 0.532114} N3 3495 -1 7 {} N 0.0 {0.656037 0.465063 0.528646} N4 3496 -1 7 {} N 0.0 {0.639103 0.495134 0.549084} N5 3497 -1 7 {} N 0.0 {0.62381 0.476419 0.565629} N6 3498 -1 7 {} N 0.0 {0.650572 0.467875 0.558656} N7 3499 -1 8 {} O 0.0 {0.562285 0.494579 0.501475} O3 3500 -1 6 {} C 0.0 {0.590159 0.507496 0.491251} C1 3501 -1 8 {} O 0.0 {0.578567 0.509771 0.518574} O4 3502 -1 7 {} N 0.0 {0.671313 0.497356 0.538272} N8 3503 -1 8 {} O 0.0 {0.598252 0.472763 0.548184} O5 3504 -1 1 {} H 0.0 {0.619631 0.497016 0.46386} H1 3505 -1 1 {} H 0.0 {0.574955 0.471454 0.526403} H2 3506 -1 1 {} H 0.0 {0.635294 0.473606 0.506673} H3 3507 -1 1 {} H 0.0 {0.622278 0.46765 0.514491} H4 3508 -1 1 {} H 0.0 {0.624658 0.445614 0.53335} H5 3509 -1 1 {} H 0.0 {0.639755 0.442913 0.540725} H6 3510 -1 1 {} H 0.0 {0.657393 0.460007 0.520186} H7 3511 -1 1 {} H 0.0 {0.657189 0.458146 0.535728} H8 3512 -1 1 {} H 0.0 {0.677206 0.435961 0.509128} H9 3513 -1 1 {} H 0.0 {0.639417 0.497747 0.539085} H10 3514 -1 1 {} H 0.0 {0.615573 0.481292 0.561785} H11 3515 -1 1 {} H 0.0 {0.621894 0.466665 0.563715} H12 3516 -1 1 {} H 0.0 {0.645434 0.461088 0.563204} H13 3517 -1 1 {} H 0.0 {0.654203 0.474107 0.565538} H14 3518 -1 1 {} H 0.0 {0.561996 0.484459 0.503708} H15 3519 -1 1 {} H 0.0 {0.584124 0.505585 0.482351} H16 3520 -1 1 {} H 0.0 {0.599709 0.502681 0.491733} H17 3521 -1 1 {} H 0.0 {0.592744 0.517387 0.493051} H18 3522 -1 1 {} H 0.0 {0.570887 0.506826 0.524402} H19 3523 -1 1 {} H 0.0 {0.661716 0.49762 0.542235} H20 3524 -1 1 {} H 0.0 {0.67755 0.499827 0.546544} H21 3525 -1 1 {} H 0.0 {0.589223 0.475857 0.546922} H22 3526 -1 14 {} Si 0.0 {0.433185 0.393641 0.414178} Si1 3527 -1 8 {} O 0.0 {0.443352 0.402711 0.406176} O1 3528 -1 14 {} Si 0.0 {0.4528 0.413873 0.402362} Si2 3529 -1 8 {} O 0.0 {0.454519 0.419762 0.41656} O2 3530 -1 14 {} Si 0.0 {0.384709 0.419382 0.394657} Si3 3531 -1 7 {} N 0.0 {0.408175 0.40991 0.422398} N1 3532 -1 14 {} Si 0.0 {0.414382 0.41117 0.40736} Si4 3533 -1 14 {} Si 0.0 {0.393167 0.408378 0.426706} Si5 3534 -1 7 {} N 0.0 {0.413319 0.450208 0.467628} N2 3535 -1 7 {} N 0.0 {0.439642 0.432031 0.437235} N3 3536 -1 7 {} N 0.0 {0.374723 0.478282 0.494089} N4 3537 -1 7 {} N 0.0 {0.395202 0.394279 0.441624} N5 3538 -1 7 {} N 0.0 {0.381441 0.39603 0.414053} N6 3539 -1 7 {} N 0.0 {0.392278 0.396469 0.457859} N7 3540 -1 8 {} O 0.0 {0.441697 0.383615 0.558387} O3 3541 -1 6 {} C 0.0 {0.427383 0.378174 0.409789} C1 3542 -1 8 {} O 0.0 {0.414788 0.382782 0.39883} O4 3543 -1 7 {} N 0.0 {0.38159 0.356732 0.466096} N8 3544 -1 8 {} O 0.0 {0.374613 0.427015 0.385233} O5 3545 -1 1 {} H 0.0 {0.459571 0.431747 0.387546} H1 3546 -1 1 {} H 0.0 {0.464503 0.408607 0.397983} H2 3547 -1 1 {} H 0.0 {0.420903 0.442585 0.468331} H3 3548 -1 1 {} H 0.0 {0.415998 0.457414 0.474482} H4 3549 -1 1 {} H 0.0 {0.38246 0.39872 0.458567} H5 3550 -1 1 {} H 0.0 {0.488154 0.51067 0.541876} H6 3551 -1 1 {} H 0.0 {0.355503 0.442476 0.497025} H7 3552 -1 1 {} H 0.0 {0.516964 0.677132 0.324717} H8 3553 -1 1 {} H 0.0 {0.389813 0.386078 0.437277} H9 3554 -1 1 {} H 0.0 {0.40504 0.393554 0.438207} H10 3555 -1 1 {} H 0.0 {0.37214 0.397316 0.417829} H11 3556 -1 1 {} H 0.0 {0.384323 0.386167 0.415881} H12 3557 -1 1 {} H 0.0 {0.410592 0.411858 0.383966} H13 3558 -1 1 {} H 0.0 {0.396529 0.405236 0.462026} H14 3559 -1 1 {} H 0.0 {0.440317 0.38078 0.549409} H15 3560 -1 1 {} H 0.0 {0.500543 0.0666116 0.415509} H16 3561 -1 1 {} H 0.0 {0.4356 0.373414 0.404943} H17 3562 -1 1 {} H 0.0 {0.423332 0.372842 0.418136} H18 3563 -1 1 {} H 0.0 {0.420747 0.383808 0.390982} H19 3564 -1 1 {} H 0.0 {0.380137 0.407662 0.393976} H20 3565 -1 1 {} H 0.0 {0.387583 0.357387 0.474313} H21 3566 -1 1 {} H 0.0 {0.444329 0.438857 0.386664} H22 3567 -1 14 {} Si 0.0 {0.574682 0.561063 0.314826} Si1 3568 -1 8 {} O 0.0 {0.571786 0.552951 0.301787} O1 3569 -1 14 {} Si 0.0 {0.591402 0.532804 0.293154} Si2 3570 -1 8 {} O 0.0 {0.590418 0.528936 0.277954} O2 3571 -1 14 {} Si 0.0 {0.54242 0.614389 0.27415} Si3 3572 -1 7 {} N 0.0 {0.536026 0.598609 0.26342} N1 3573 -1 14 {} Si 0.0 {0.52514 0.582218 0.258211} Si4 3574 -1 14 {} Si 0.0 {0.5213 0.599645 0.276699} Si5 3575 -1 7 {} N 0.0 {0.513616 0.585948 0.246568} N2 3576 -1 7 {} N 0.0 {0.527505 0.565552 0.2692} N3 3577 -1 7 {} N 0.0 {0.528652 0.579274 0.242202} N4 3578 -1 7 {} N 0.0 {0.508597 0.514304 0.655298} N5 3579 -1 7 {} N 0.0 {0.511286 0.611596 0.273699} N6 3580 -1 7 {} N 0.0 {0.490929 0.260427 0.347323} N7 3581 -1 8 {} O 0.0 {0.564096 0.525979 0.308525} O3 3582 -1 6 {} C 0.0 {0.570528 0.578616 0.315706} C1 3583 -1 8 {} O 0.0 {0.588286 0.553 0.316753} O4 3584 -1 7 {} N 0.0 {0.551223 0.609412 0.287553} N8 3585 -1 8 {} O 0.0 {0.534019 0.628068 0.272587} O5 3586 -1 1 {} H 0.0 {0.536809 0.54881 0.30184} H1 3587 -1 1 {} H 0.0 {0.598241 0.5216 0.29889} H2 3588 -1 1 {} H 0.0 {0.384616 0.576694 0.585736} H3 3589 -1 1 {} H 0.0 {0.506399 0.578554 0.248423} H4 3590 -1 1 {} H 0.0 {0.531381 0.568517 0.278599} H5 3591 -1 1 {} H 0.0 {0.517665 0.563127 0.270983} H6 3592 -1 1 {} H 0.0 {0.834952 0.977682 0.665348} H7 3593 -1 1 {} H 0.0 {0.524276 0.626227 0.271795} H8 3594 -1 1 {} H 0.0 {0.510605 0.524496 0.654328} H9 3595 -1 1 {} H 0.0 {0.500156 0.512093 0.649689} H10 3596 -1 1 {} H 0.0 {0.505702 0.61034 0.265638} H11 3597 -1 1 {} H 0.0 {0.388448 0.653022 0.610603} H12 3598 -1 1 {} H 0.0 {0.482879 0.256563 0.343048} H13 3599 -1 1 {} H 0.0 {0.679811 0.623063 0.616391} H14 3600 -1 1 {} H 0.0 {0.571948 0.526101 0.313926} H15 3601 -1 1 {} H 0.0 {0.579113 0.584057 0.312825} H16 3602 -1 1 {} H 0.0 {0.563354 0.581223 0.309206} H17 3603 -1 1 {} H 0.0 {0.538593 0.601365 0.315201} H18 3604 -1 1 {} H 0.0 {0.588343 0.547904 0.324669} H19 3605 -1 1 {} H 0.0 {0.550228 0.599509 0.289459} H20 3606 -1 1 {} H 0.0 {0.403701 0.668396 0.255407} H21 3607 -1 1 {} H 0.0 {0.534499 0.586311 0.238023} H22 3608 -1 14 {} Si 0.0 {0.421595 0.546788 0.317087} Si1 3609 -1 8 {} O 0.0 {0.412101 0.535575 0.311474} O1 3610 -1 14 {} Si 0.0 {0.398876 0.530328 0.303363} Si2 3611 -1 8 {} O 0.0 {0.388617 0.524624 0.314675} O2 3612 -1 14 {} Si 0.0 {0.384352 0.509782 0.318945} Si3 3613 -1 7 {} N 0.0 {0.397328 0.498391 0.308743} N1 3614 -1 14 {} Si 0.0 {0.406705 0.502457 0.292695} Si4 3615 -1 14 {} Si 0.0 {0.397991 0.482465 0.311253} Si5 3616 -1 7 {} N 0.0 {0.400572 0.515503 0.279268} N2 3617 -1 7 {} N 0.0 {0.403476 0.487726 0.280039} N3 3618 -1 7 {} N 0.0 {0.427933 0.50078 0.293075} N4 3619 -1 7 {} N 0.0 {0.414292 0.472711 0.307216} N5 3620 -1 7 {} N 0.0 {0.397744 0.480215 0.331856} N6 3621 -1 7 {} N 0.0 {0.383559 0.471976 0.305285} N7 3622 -1 8 {} O 0.0 {0.432851 0.541747 0.306912} O3 3623 -1 6 {} C 0.0 {0.422411 0.552233 0.33378} C1 3624 -1 8 {} O 0.0 {0.414337 0.562499 0.303987} O4 3625 -1 7 {} N 0.0 {0.369131 0.500922 0.318046} N8 3626 -1 8 {} O 0.0 {0.388649 0.512148 0.33367} O5 3627 -1 1 {} H 0.0 {0.402625 0.516499 0.297944} H1 3628 -1 1 {} H 0.0 {0.391244 0.541595 0.294501} H2 3629 -1 1 {} H 0.0 {0.39083 0.511869 0.278837} H3 3630 -1 1 {} H 0.0 {0.405558 0.51132 0.271354} H4 3631 -1 1 {} H 0.0 {0.400156 0.480461 0.286993} H5 3632 -1 1 {} H 0.0 {0.413106 0.484962 0.278931} H6 3633 -1 1 {} H 0.0 {0.428853 0.507421 0.284476} H7 3634 -1 1 {} H 0.0 {0.430813 0.507045 0.301044} H8 3635 -1 1 {} H 0.0 {0.417397 0.478716 0.299957} H9 3636 -1 1 {} H 0.0 {0.420133 0.475037 0.315408} H10 3637 -1 1 {} H 0.0 {0.393864 0.489256 0.335509} H11 3638 -1 1 {} H 0.0 {0.407157 0.479765 0.335547} H12 3639 -1 1 {} H 0.0 {0.389015 0.464129 0.302438} H13 3640 -1 1 {} H 0.0 {0.379405 0.469051 0.3142} H14 3641 -1 1 {} H 0.0 {0.431439 0.543433 0.297021} H15 3642 -1 1 {} H 0.0 {0.432704 0.551976 0.336707} H16 3643 -1 1 {} H 0.0 {0.416875 0.546678 0.34008} H17 3644 -1 1 {} H 0.0 {0.404731 0.559991 0.304897} H18 3645 -1 1 {} H 0.0 {0.416018 0.558476 0.295478} H19 3646 -1 1 {} H 0.0 {0.371213 0.49394 0.310968} H20 3647 -1 1 {} H 0.0 {0.369866 0.496506 0.327408} H21 3648 -1 1 {} H 0.0 {0.397575 0.511267 0.334933} H22 3649 -1 14 {} Si 0.0 {0.458842 0.293665 0.351011} Si1 3650 -1 8 {} O 0.0 {0.468727 0.282555 0.354849} O1 3651 -1 14 {} Si 0.0 {0.481417 0.274281 0.358633} Si2 3652 -1 8 {} O 0.0 {0.481581 0.277075 0.3737} O2 3653 -1 14 {} Si 0.0 {0.472324 0.277979 0.386958} Si3 3654 -1 7 {} N 0.0 {0.467837 0.265787 0.397078} N1 3655 -1 14 {} Si 0.0 {0.478749 0.255709 0.403837} Si4 3656 -1 14 {} Si 0.0 {0.455736 0.256191 0.401542} Si5 3657 -1 7 {} N 0.0 {0.568299 0.269048 0.399956} N2 3658 -1 7 {} N 0.0 {0.483898 0.259874 0.421371} N3 3659 -1 7 {} N 0.0 {0.410732 0.477754 0.726094} N4 3660 -1 7 {} N 0.0 {0.448272 0.245386 0.387786} N5 3661 -1 7 {} N 0.0 {0.549839 0.671604 0.42506} N6 3662 -1 7 {} N 0.0 {0.441987 0.263504 0.413412} N7 3663 -1 8 {} O 0.0 {0.459086 0.304715 0.362425} O3 3664 -1 6 {} C 0.0 {0.438182 0.28726 0.34334} C1 3665 -1 8 {} O 0.0 {0.467467 0.302488 0.341115} O4 3666 -1 7 {} N 0.0 {0.330235 0.374626 0.685645} N8 3667 -1 8 {} O 0.0 {0.308964 0.396578 0.659485} O5 3668 -1 1 {} H 0.0 {0.471804 0.252219 0.379317} H1 3669 -1 1 {} H 0.0 {0.444801 0.273248 0.414888} H2 3670 -1 1 {} H 0.0 {0.563689 0.27614 0.405673} H3 3671 -1 1 {} H 0.0 {0.495319 0.315916 0.390521} H4 3672 -1 1 {} H 0.0 {0.475191 0.259635 0.426828} H5 3673 -1 1 {} H 0.0 {0.486673 0.269835 0.419689} H6 3674 -1 1 {} H 0.0 {0.403718 0.48205 0.72025} H7 3675 -1 1 {} H 0.0 {0.41975 0.48242 0.725502} H8 3676 -1 1 {} H 0.0 {0.454816 0.247955 0.380287} H9 3677 -1 1 {} H 0.0 {0.438859 0.347234 0.509914} H10 3678 -1 1 {} H 0.0 {0.390032 0.663938 0.575685} H11 3679 -1 1 {} H 0.0 {0.559707 0.669052 0.427659} H12 3680 -1 1 {} H 0.0 {0.548677 0.670717 0.41462} H13 3681 -1 1 {} H 0.0 {0.444541 0.258413 0.421676} H14 3682 -1 1 {} H 0.0 {0.455714 0.313366 0.359605} H15 3683 -1 1 {} H 0.0 {0.439669 0.288366 0.333202} H16 3684 -1 1 {} H 0.0 {0.434921 0.278011 0.347264} H17 3685 -1 1 {} H 0.0 {0.428409 0.250085 0.384775} H18 3686 -1 1 {} H 0.0 {0.476963 0.302405 0.344334} H19 3687 -1 1 {} H 0.0 {0.332878 0.36715 0.679645} H20 3688 -1 1 {} H 0.0 {0.320066 0.374416 0.686254} H21 3689 -1 1 {} H 0.0 {0.51044 0.617627 0.233302} H22 3690 -1 14 {} Si 0.0 {0.570145 0.479049 0.304851} Si1 3691 -1 8 {} O 0.0 {0.582893 0.471362 0.318857} O1 3692 -1 14 {} Si 0.0 {0.579921 0.475096 0.333578} Si2 3693 -1 8 {} O 0.0 {0.566788 0.469316 0.338389} O2 3694 -1 14 {} Si 0.0 {0.551685 0.466728 0.337201} Si3 3695 -1 7 {} N 0.0 {0.543561 0.467639 0.354887} N1 3696 -1 14 {} Si 0.0 {0.538079 0.455411 0.363917} Si4 3697 -1 14 {} Si 0.0 {0.545269 0.48193 0.363325} Si5 3698 -1 7 {} N 0.0 {0.528519 0.458543 0.380877} N2 3699 -1 7 {} N 0.0 {0.553677 0.443668 0.370881} N3 3700 -1 7 {} N 0.0 {0.524977 0.443956 0.353696} N4 3701 -1 7 {} N 0.0 {0.554071 0.47672 0.380367} N5 3702 -1 7 {} N 0.0 {0.555318 0.493913 0.352142} N6 3703 -1 7 {} N 0.0 {0.528261 0.491192 0.36522} N7 3704 -1 8 {} O 0.0 {0.564164 0.495698 0.314247} O3 3705 -1 6 {} C 0.0 {0.560086 0.468455 0.298533} C1 3706 -1 8 {} O 0.0 {0.583801 0.489903 0.294603} O4 3707 -1 7 {} N 0.0 {0.548549 0.449916 0.332971} N8 3708 -1 8 {} O 0.0 {0.544433 0.475826 0.32129} O5 3709 -1 1 {} H 0.0 {0.620536 0.474544 0.33336} H1 3710 -1 1 {} H 0.0 {0.591494 0.46613 0.341313} H2 3711 -1 1 {} H 0.0 {0.536005 0.458093 0.388453} H3 3712 -1 1 {} H 0.0 {0.52576 0.468751 0.379644} H4 3713 -1 1 {} H 0.0 {0.551602 0.43419 0.367926} H5 3714 -1 1 {} H 0.0 {0.55332 0.443685 0.380763} H6 3715 -1 1 {} H 0.0 {0.52692 0.445305 0.343946} H7 3716 -1 1 {} H 0.0 {0.528664 0.434446 0.355094} H8 3717 -1 1 {} H 0.0 {0.563952 0.476646 0.377194} H9 3718 -1 1 {} H 0.0 {0.551798 0.46734 0.381943} H10 3719 -1 1 {} H 0.0 {0.560796 0.499176 0.35901} H11 3720 -1 1 {} H 0.0 {0.561959 0.486464 0.348784} H12 3721 -1 1 {} H 0.0 {0.526817 0.49481 0.355926} H13 3722 -1 1 {} H 0.0 {0.530765 0.498081 0.371797} H14 3723 -1 1 {} H 0.0 {0.571882 0.498 0.320179} H15 3724 -1 1 {} H 0.0 {0.550357 0.471747 0.29722} H16 3725 -1 1 {} H 0.0 {0.563178 0.45872 0.296617} H17 3726 -1 1 {} H 0.0 {0.552816 0.508957 0.297611} H18 3727 -1 1 {} H 0.0 {0.577133 0.497282 0.292618} H19 3728 -1 1 {} H 0.0 {0.544448 0.449741 0.323675} H20 3729 -1 1 {} H 0.0 {0.557722 0.446556 0.331118} H21 3730 -1 1 {} H 0.0 {0.546843 0.485133 0.322144} H22 3731 -1 14 {} Si 0.0 {0.700026 0.551675 0.501225} Si1 3732 -1 8 {} O 0.0 {0.706185 0.544877 0.514369} O1 3733 -1 14 {} Si 0.0 {0.707541 0.533349 0.525466} Si2 3734 -1 8 {} O 0.0 {0.698125 0.539639 0.536454} O2 3735 -1 14 {} Si 0.0 {0.695396 0.542248 0.551114} Si3 3736 -1 7 {} N 0.0 {0.688068 0.555343 0.557293} N1 3737 -1 14 {} Si 0.0 {0.689487 0.568673 0.547322} Si4 3738 -1 14 {} Si 0.0 {0.371405 0.547829 0.350366} Si5 3739 -1 7 {} N 0.0 {0.696066 0.584981 0.568694} N2 3740 -1 7 {} N 0.0 {0.688312 0.582957 0.55539} N3 3741 -1 7 {} N 0.0 {0.473679 0.302657 0.506632} N4 3742 -1 7 {} N 0.0 {0.357791 0.542108 0.338056} N5 3743 -1 7 {} N 0.0 {0.4168 0.378217 0.466625} N6 3744 -1 7 {} N 0.0 {0.378552 0.534954 0.356124} N7 3745 -1 8 {} O 0.0 {0.711997 0.551819 0.491469} O3 3746 -1 6 {} C 0.0 {0.681911 0.556466 0.498802} C1 3747 -1 8 {} O 0.0 {0.636363 0.476369 0.447175} O4 3748 -1 7 {} N 0.0 {0.699699 0.532083 0.566203} N8 3749 -1 8 {} O 0.0 {0.689298 0.567567 0.530946} O5 3750 -1 1 {} H 0.0 {0.722586 0.530931 0.529616} H1 3751 -1 1 {} H 0.0 {0.701244 0.520025 0.521165} H2 3752 -1 1 {} H 0.0 {0.696463 0.595025 0.570649} H3 3753 -1 1 {} H 0.0 {0.70581 0.581664 0.567671} H4 3754 -1 1 {} H 0.0 {0.678758 0.587348 0.556838} H5 3755 -1 1 {} H 0.0 {0.411215 0.381158 0.458705} H6 3756 -1 1 {} H 0.0 {0.465902 0.307488 0.511449} H7 3757 -1 1 {} H 0.0 {0.481566 0.309474 0.508839} H8 3758 -1 1 {} H 0.0 {0.364695 0.539197 0.331239} H9 3759 -1 1 {} H 0.0 {0.66749 0.560473 0.567075} H10 3760 -1 1 {} H 0.0 {0.41223 0.380296 0.475166} H11 3761 -1 1 {} H 0.0 {0.425024 0.384681 0.465919} H12 3762 -1 1 {} H 0.0 {0.478783 0.52893 0.641258} H13 3763 -1 1 {} H 0.0 {0.380654 0.52848 0.348664} H14 3764 -1 1 {} H 0.0 {0.713306 0.558284 0.469395} H15 3765 -1 1 {} H 0.0 {0.67784 0.549476 0.491574} H16 3766 -1 1 {} H 0.0 {0.681444 0.565922 0.495925} H17 3767 -1 1 {} H 0.0 {0.676517 0.555264 0.507835} H18 3768 -1 1 {} H 0.0 {0.636351 0.475546 0.437462} H19 3769 -1 1 {} H 0.0 {0.692752 0.524134 0.565146} H20 3770 -1 1 {} H 0.0 {0.696425 0.539024 0.572945} H21 3771 -1 1 {} H 0.0 {0.693045 0.558907 0.528591} H22 3772 -1 14 {} Si 0.0 {0.495559 0.553427 0.23679} Si1 3773 -1 8 {} O 0.0 {0.490793 0.565591 0.227955} O1 3774 -1 14 {} Si 0.0 {0.481577 0.577829 0.223659} Si2 3775 -1 8 {} O 0.0 {0.482703 0.579961 0.207837} O2 3776 -1 14 {} Si 0.0 {0.379132 0.649683 0.533253} Si3 3777 -1 7 {} N 0.0 {0.526187 0.536984 0.279138} N1 3778 -1 14 {} Si 0.0 {0.535364 0.546513 0.271048} Si4 3779 -1 14 {} Si 0.0 {0.352051 0.637113 0.531021} Si5 3780 -1 7 {} N 0.0 {0.539306 0.540814 0.252882} N2 3781 -1 7 {} N 0.0 {0.514655 0.483757 0.713525} N3 3782 -1 7 {} N 0.0 {0.552178 0.549031 0.282495} N4 3783 -1 7 {} N 0.0 {0.376276 0.610728 0.211922} N5 3784 -1 7 {} N 0.0 {0.34977 0.621258 0.524473} N6 3785 -1 7 {} N 0.0 {0.340461 0.639164 0.547417} N7 3786 -1 8 {} O 0.0 {0.477776 0.561514 0.259235} O3 3787 -1 6 {} C 0.0 {0.480168 0.535018 0.244228} C1 3788 -1 8 {} O 0.0 {0.511534 0.553081 0.234306} O4 3789 -1 7 {} N 0.0 {0.386587 0.652126 0.515114} N8 3790 -1 8 {} O 0.0 {0.36399 0.645608 0.534804} O5 3791 -1 1 {} H 0.0 {0.545098 0.663317 0.429076} H1 3792 -1 1 {} H 0.0 {0.468898 0.573349 0.224499} H2 3793 -1 1 {} H 0.0 {0.543899 0.548567 0.248432} H3 3794 -1 1 {} H 0.0 {0.529629 0.540811 0.2491} H4 3795 -1 1 {} H 0.0 {0.505993 0.482012 0.70804} H5 3796 -1 1 {} H 0.0 {0.520134 0.474904 0.714166} H6 3797 -1 1 {} H 0.0 {0.551361 0.559206 0.284928} H7 3798 -1 1 {} H 0.0 {0.558195 0.549368 0.274071} H8 3799 -1 1 {} H 0.0 {0.301948 0.45003 0.576119} H9 3800 -1 1 {} H 0.0 {0.380524 0.619361 0.208607} H10 3801 -1 1 {} H 0.0 {0.357268 0.613852 0.525698} H11 3802 -1 1 {} H 0.0 {0.341886 0.616796 0.528118} H12 3803 -1 1 {} H 0.0 {0.340962 0.648625 0.551763} H13 3804 -1 1 {} H 0.0 {0.331734 0.638277 0.542102} H14 3805 -1 1 {} H 0.0 {0.483845 0.56803 0.263251} H15 3806 -1 1 {} H 0.0 {0.473047 0.535203 0.236921} H16 3807 -1 1 {} H 0.0 {0.47392 0.534627 0.252851} H17 3808 -1 1 {} H 0.0 {0.485259 0.526079 0.245349} H18 3809 -1 1 {} H 0.0 {0.515684 0.562489 0.235344} H19 3810 -1 1 {} H 0.0 {0.380118 0.647542 0.508801} H20 3811 -1 1 {} H 0.0 {0.384225 0.662471 0.513713} H21 3812 -1 1 {} H 0.0 {0.336726 0.670192 0.561049} H22 3813 -1 14 {} Si 0.0 {0.44872 0.466192 0.375453} Si1 3814 -1 8 {} O 0.0 {0.437022 0.455692 0.374387} O1 3815 -1 14 {} Si 0.0 {0.479402 0.421592 0.355672} Si2 3816 -1 8 {} O 0.0 {0.447306 0.443455 0.336166} O2 3817 -1 14 {} Si 0.0 {0.43806 0.455422 0.33299} Si3 3818 -1 7 {} N 0.0 {0.444396 0.473101 0.329877} N1 3819 -1 14 {} Si 0.0 {0.455319 0.469715 0.318072} Si4 3820 -1 14 {} Si 0.0 {0.441672 0.488086 0.336906} Si5 3821 -1 7 {} N 0.0 {0.473705 0.474818 0.324557} N2 3822 -1 7 {} N 0.0 {0.452455 0.481014 0.300617} N3 3823 -1 7 {} N 0.0 {0.45764 0.451479 0.311382} N4 3824 -1 7 {} N 0.0 {0.435938 0.501023 0.323358} N5 3825 -1 7 {} N 0.0 {0.425131 0.489581 0.346446} N6 3826 -1 7 {} N 0.0 {0.45822 0.499616 0.343092} N7 3827 -1 8 {} O 0.0 {0.445662 0.475125 0.36382} O3 3828 -1 6 {} C 0.0 {0.386454 0.382544 0.38757} C1 3829 -1 8 {} O 0.0 {0.459647 0.456508 0.371288} O4 3830 -1 7 {} N 0.0 {0.424049 0.457782 0.346468} N8 3831 -1 8 {} O 0.0 {0.429581 0.446406 0.305513} O5 3832 -1 1 {} H 0.0 {0.431742 0.429236 0.326308} H1 3833 -1 1 {} H 0.0 {0.463328 0.424938 0.358092} H2 3834 -1 1 {} H 0.0 {0.478976 0.475294 0.316165} H3 3835 -1 1 {} H 0.0 {0.473446 0.485006 0.327493} H4 3836 -1 1 {} H 0.0 {0.459497 0.488789 0.303193} H5 3837 -1 1 {} H 0.0 {0.458115 0.474531 0.29506} H6 3838 -1 1 {} H 0.0 {0.459804 0.446723 0.319888} H7 3839 -1 1 {} H 0.0 {0.448148 0.449683 0.308153} H8 3840 -1 1 {} H 0.0 {0.439208 0.495765 0.314966} H9 3841 -1 1 {} H 0.0 {0.442965 0.507775 0.324009} H10 3842 -1 1 {} H 0.0 {0.423017 0.479718 0.348803} H11 3843 -1 1 {} H 0.0 {0.427602 0.494132 0.354689} H12 3844 -1 1 {} H 0.0 {0.460399 0.503415 0.333628} H13 3845 -1 1 {} H 0.0 {0.466533 0.494734 0.346655} H14 3846 -1 1 {} H 0.0 {0.442914 0.486784 0.370364} H15 3847 -1 1 {} H 0.0 {0.392242 0.388223 0.380394} H16 3848 -1 1 {} H 0.0 {0.392955 0.378707 0.394916} H17 3849 -1 1 {} H 0.0 {0.500593 0.0735019 0.412443} H18 3850 -1 1 {} H 0.0 {0.465095 0.453313 0.37815} H19 3851 -1 1 {} H 0.0 {0.429122 0.456673 0.355649} H20 3852 -1 1 {} H 0.0 {0.417548 0.449847 0.34553} H21 3853 -1 1 {} H 0.0 {0.351095 0.263255 0.458678} H22 3854 -1 14 {} Si 0.0 {0.586908 0.369686 0.366183} Si1 3855 -1 8 {} O 0.0 {0.62827 0.312531 0.392681} O1 3856 -1 14 {} Si 0.0 {0.621985 0.307413 0.379438} Si2 3857 -1 8 {} O 0.0 {0.60801 0.313793 0.377672} O2 3858 -1 14 {} Si 0.0 {0.596862 0.319084 0.368416} Si3 3859 -1 7 {} N 0.0 {0.580891 0.319747 0.37327} N1 3860 -1 14 {} Si 0.0 {0.578118 0.317349 0.388886} Si4 3861 -1 14 {} Si 0.0 {0.565494 0.325293 0.369162} Si5 3862 -1 7 {} N 0.0 {0.585802 0.32981 0.40108} N2 3863 -1 7 {} N 0.0 {0.572777 0.301708 0.398251} N3 3864 -1 7 {} N 0.0 {0.6203 0.250402 0.423385} N4 3865 -1 7 {} N 0.0 {0.53538 0.388732 0.2963} N5 3866 -1 7 {} N 0.0 {0.592091 0.27205 0.48364} N6 3867 -1 7 {} N 0.0 {0.565007 0.338879 0.361294} N7 3868 -1 8 {} O 0.0 {0.571027 0.373468 0.366377} O3 3869 -1 6 {} C 0.0 {0.599094 0.395123 0.435508} C1 3870 -1 8 {} O 0.0 {0.590426 0.377189 0.379762} O4 3871 -1 7 {} N 0.0 {0.633421 0.448721 0.355277} N8 3872 -1 8 {} O 0.0 {0.62784 0.311775 0.365562} O5 3873 -1 1 {} H 0.0 {0.620806 0.314283 0.398799} H1 3874 -1 1 {} H 0.0 {0.620372 0.291411 0.379911} H2 3875 -1 1 {} H 0.0 {0.578545 0.336884 0.40179} H3 3876 -1 1 {} H 0.0 {0.585232 0.32406 0.410049} H4 3877 -1 1 {} H 0.0 {0.579162 0.302661 0.406394} H5 3878 -1 1 {} H 0.0 {0.563599 0.30342 0.402627} H6 3879 -1 1 {} H 0.0 {0.621878 0.241598 0.429032} H7 3880 -1 1 {} H 0.0 {0.613922 0.247688 0.415411} H8 3881 -1 1 {} H 0.0 {0.525229 0.352897 0.360532} H9 3882 -1 1 {} H 0.0 {0.530022 0.385853 0.288127} H10 3883 -1 1 {} H 0.0 {0.599951 0.264832 0.48295} H11 3884 -1 1 {} H 0.0 {0.589283 0.271476 0.493378} H12 3885 -1 1 {} H 0.0 {0.556488 0.34344 0.362454} H13 3886 -1 1 {} H 0.0 {0.25088 0.641814 0.55821} H14 3887 -1 1 {} H 0.0 {0.582842 0.415064 0.452013} H15 3888 -1 1 {} H 0.0 {0.58841 0.395751 0.43517} H16 3889 -1 1 {} H 0.0 {0.60328 0.386271 0.440775} H17 3890 -1 1 {} H 0.0 {0.60231 0.403308 0.440661} H18 3891 -1 1 {} H 0.0 {0.564636 0.360378 0.424584} H19 3892 -1 1 {} H 0.0 {0.626194 0.443661 0.360306} H20 3893 -1 1 {} H 0.0 {0.629014 0.451012 0.346332} H21 3894 -1 1 {} H 0.0 {0.639308 0.462006 0.374824} H22 3895 -1 14 {} Si 0.0 {0.529656 0.330158 0.455359} Si1 3896 -1 8 {} O 0.0 {0.527439 0.343982 0.461661} O1 3897 -1 14 {} Si 0.0 {0.517547 0.354717 0.465509} Si2 3898 -1 8 {} O 0.0 {0.503153 0.353552 0.459551} O2 3899 -1 14 {} Si 0.0 {0.491911 0.345378 0.452803} Si3 3900 -1 7 {} N 0.0 {0.477412 0.356777 0.44926} N1 3901 -1 14 {} Si 0.0 {0.461717 0.3576 0.453738} Si4 3902 -1 14 {} Si 0.0 {0.479994 0.369837 0.43951} Si5 3903 -1 7 {} N 0.0 {0.454362 0.338024 0.454074} N2 3904 -1 7 {} N 0.0 {0.450206 0.364448 0.438837} N3 3905 -1 7 {} N 0.0 {0.457929 0.365908 0.470704} N4 3906 -1 7 {} N 0.0 {0.498267 0.376366 0.440982} N5 3907 -1 7 {} N 0.0 {0.476619 0.366088 0.41857} N6 3908 -1 7 {} N 0.0 {0.470153 0.386215 0.443945} N7 3909 -1 8 {} O 0.0 {0.537023 0.336445 0.441683} O3 3910 -1 6 {} C 0.0 {0.517226 0.314592 0.454736} C1 3911 -1 8 {} O 0.0 {0.545053 0.327876 0.467172} O4 3912 -1 7 {} N 0.0 {0.484894 0.327387 0.459444} N8 3913 -1 8 {} O 0.0 {0.501041 0.341506 0.440614} O5 3914 -1 1 {} H 0.0 {0.523705 0.369057 0.461642} H1 3915 -1 1 {} H 0.0 {0.515296 0.354145 0.481539} H2 3916 -1 1 {} H 0.0 {0.459774 0.332424 0.446885} H3 3917 -1 1 {} H 0.0 {0.444886 0.337794 0.44955} H4 3918 -1 1 {} H 0.0 {0.45704 0.369027 0.433919} H5 3919 -1 1 {} H 0.0 {0.444578 0.37219 0.443287} H6 3920 -1 1 {} H 0.0 {0.459976 0.358159 0.476892} H7 3921 -1 1 {} H 0.0 {0.44748 0.365473 0.470624} H8 3922 -1 1 {} H 0.0 {0.501028 0.369616 0.447732} H9 3923 -1 1 {} H 0.0 {0.496693 0.385515 0.445243} H10 3924 -1 1 {} H 0.0 {0.474335 0.355713 0.419628} H11 3925 -1 1 {} H 0.0 {0.486965 0.366261 0.417337} H12 3926 -1 1 {} H 0.0 {0.475291 0.393905 0.438986} H13 3927 -1 1 {} H 0.0 {0.473051 0.387314 0.453804} H14 3928 -1 1 {} H 0.0 {0.530775 0.343497 0.437813} H15 3929 -1 1 {} H 0.0 {0.522079 0.304825 0.454962} H16 3930 -1 1 {} H 0.0 {0.512368 0.31621 0.445382} H17 3931 -1 1 {} H 0.0 {0.511585 0.316453 0.463864} H18 3932 -1 1 {} H 0.0 {0.544373 0.336946 0.471645} H19 3933 -1 1 {} H 0.0 {0.47958 0.324718 0.451213} H20 3934 -1 1 {} H 0.0 {0.477803 0.329804 0.46677} H21 3935 -1 1 {} H 0.0 {0.501247 0.348593 0.434041} H22 3936 -1 14 {} Si 0.0 {0.420547 0.273627 0.380973} Si1 3937 -1 8 {} O 0.0 {0.40875 0.276458 0.391251} O1 3938 -1 14 {} Si 0.0 {0.409021 0.608129 0.232831} Si2 3939 -1 8 {} O 0.0 {0.419328 0.596713 0.234812} O2 3940 -1 14 {} Si 0.0 {0.42578 0.581851 0.233934} Si3 3941 -1 7 {} N 0.0 {0.444724 0.580874 0.231263} N1 3942 -1 14 {} Si 0.0 {0.455322 0.569036 0.225619} Si4 3943 -1 14 {} Si 0.0 {0.453295 0.593433 0.237095} Si5 3944 -1 7 {} N 0.0 {0.453816 0.553547 0.237726} N2 3945 -1 7 {} N 0.0 {0.358206 0.451628 0.652563} N3 3946 -1 7 {} N 0.0 {0.4475 0.56113 0.209847} N4 3947 -1 7 {} N 0.0 {0.452281 0.596011 0.255919} N5 3948 -1 7 {} N 0.0 {0.473519 0.592848 0.234116} N6 3949 -1 7 {} N 0.0 {0.448365 0.611958 0.225145} N7 3950 -1 8 {} O 0.0 {0.431727 0.277847 0.390628} O3 3951 -1 6 {} C 0.0 {0.420479 0.256252 0.36571} C1 3952 -1 8 {} O 0.0 {0.419411 0.253641 0.382951} O4 3953 -1 7 {} N 0.0 {0.418437 0.56899 0.22114} N8 3954 -1 8 {} O 0.0 {0.425215 0.576471 0.2483} O5 3955 -1 1 {} H 0.0 {0.398503 0.602554 0.220255} H1 3956 -1 1 {} H 0.0 {0.417749 0.619199 0.223555} H2 3957 -1 1 {} H 0.0 {0.460582 0.556455 0.244268} H3 3958 -1 1 {} H 0.0 {0.445008 0.555504 0.241659} H4 3959 -1 1 {} H 0.0 {0.357849 0.448615 0.661929} H5 3960 -1 1 {} H 0.0 {0.364643 0.459553 0.652662} H6 3961 -1 1 {} H 0.0 {0.44855 0.551118 0.2107} H7 3962 -1 1 {} H 0.0 {0.456006 0.563163 0.203156} H8 3963 -1 1 {} H 0.0 {0.450457 0.586937 0.259842} H9 3964 -1 1 {} H 0.0 {0.443706 0.602406 0.256694} H10 3965 -1 1 {} H 0.0 {0.475712 0.587245 0.24244} H11 3966 -1 1 {} H 0.0 {0.476709 0.602398 0.236834} H12 3967 -1 1 {} H 0.0 {0.453539 0.607025 0.217672} H13 3968 -1 1 {} H 0.0 {0.438327 0.608772 0.223515} H14 3969 -1 1 {} H 0.0 {0.432383 0.271512 0.39829} H15 3970 -1 1 {} H 0.0 {0.429529 0.251895 0.362462} H16 3971 -1 1 {} H 0.0 {0.419874 0.264846 0.359634} H17 3972 -1 1 {} H 0.0 {0.412043 0.250595 0.362975} H18 3973 -1 1 {} H 0.0 {0.410096 0.274612 0.400766} H19 3974 -1 1 {} H 0.0 {0.418444 0.575557 0.212953} H20 3975 -1 1 {} H 0.0 {0.427457 0.563393 0.219281} H21 3976 -1 1 {} H 0.0 {0.434456 0.574523 0.252077} H22 3977 -1 14 {} Si 0.0 {0.702736 0.376028 0.472847} Si1 3978 -1 8 {} O 0.0 {0.687447 0.38055 0.470009} O1 3979 -1 14 {} Si 0.0 {0.675363 0.38986 0.46631} Si2 3980 -1 8 {} O 0.0 {0.674742 0.399396 0.479075} O2 3981 -1 14 {} Si 0.0 {0.680008 0.404523 0.493356} Si3 3982 -1 7 {} N 0.0 {0.669498 0.409871 0.505923} N1 3983 -1 14 {} Si 0.0 {0.670136 0.412328 0.522029} Si4 3984 -1 14 {} Si 0.0 {0.653598 0.414625 0.501652} Si5 3985 -1 7 {} N 0.0 {0.66346 0.429756 0.529164} N2 3986 -1 7 {} N 0.0 {0.689148 0.418611 0.528464} N3 3987 -1 7 {} N 0.0 {0.665868 0.395631 0.532969} N4 3988 -1 7 {} N 0.0 {0.640008 0.411884 0.516068} N5 3989 -1 7 {} N 0.0 {0.651684 0.433294 0.494924} N6 3990 -1 7 {} N 0.0 {0.646217 0.403811 0.48726} N7 3991 -1 8 {} O 0.0 {0.708296 0.37956 0.458452} O3 3992 -1 6 {} C 0.0 {0.716891 0.38668 0.496681} C1 3993 -1 8 {} O 0.0 {0.708171 0.388797 0.481062} O4 3994 -1 7 {} N 0.0 {0.694762 0.416402 0.493576} N8 3995 -1 8 {} O 0.0 {0.680603 0.385506 0.501584} O5 3996 -1 1 {} H 0.0 {0.662001 0.38096 0.465879} H1 3997 -1 1 {} H 0.0 {0.677769 0.397873 0.45511} H2 3998 -1 1 {} H 0.0 {0.663847 0.434269 0.52002} H3 3999 -1 1 {} H 0.0 {0.653795 0.427527 0.529896} H4 4000 -1 1 {} H 0.0 {0.684943 0.427274 0.532524} H5 4001 -1 1 {} H 0.0 {0.693189 0.420413 0.519486} H6 4002 -1 1 {} H 0.0 {0.673426 0.395757 0.539456} H7 4003 -1 1 {} H 0.0 {0.668565 0.388761 0.52592} H8 4004 -1 1 {} H 0.0 {0.632238 0.408691 0.509865} H9 4005 -1 1 {} H 0.0 {0.637589 0.421799 0.517318} H10 4006 -1 1 {} H 0.0 {0.653949 0.430127 0.485721} H11 4007 -1 1 {} H 0.0 {0.658732 0.440342 0.496876} H12 4008 -1 1 {} H 0.0 {0.642905 0.411461 0.480936} H13 4009 -1 1 {} H 0.0 {0.655089 0.400102 0.482488} H14 4010 -1 1 {} H 0.0 {0.710766 0.370927 0.454062} H15 4011 -1 1 {} H 0.0 {0.72845 0.377023 0.496394} H16 4012 -1 1 {} H 0.0 {0.692903 0.384 0.504618} H17 4013 -1 1 {} H 0.0 {0.718689 0.397382 0.499308} H18 4014 -1 1 {} H 0.0 {0.70031 0.394419 0.485586} H19 4015 -1 1 {} H 0.0 {0.698688 0.415127 0.484348} H20 4016 -1 1 {} H 0.0 {0.691868 0.426617 0.49286} H21 4017 -1 1 {} H 0.0 {0.679663 0.379734 0.493698} H22 4018 -1 14 {} Si 0.0 {0.70283 0.534653 0.424289} Si1 4019 -1 8 {} O 0.0 {0.690835 0.540399 0.416259} O1 4020 -1 14 {} Si 0.0 {0.682996 0.543169 0.4026} Si2 4021 -1 8 {} O 0.0 {0.668553 0.52608 0.397632} O2 4022 -1 14 {} Si 0.0 {0.640155 0.544989 0.394816} Si3 4023 -1 7 {} N 0.0 {0.604765 0.561409 0.425917} N1 4024 -1 14 {} Si 0.0 {0.643414 0.517645 0.393475} Si4 4025 -1 14 {} Si 0.0 {0.606077 0.560297 0.410196} Si5 4026 -1 7 {} N 0.0 {0.523939 0.416118 0.328876} N2 4027 -1 7 {} N 0.0 {0.646569 0.506329 0.378149} N3 4028 -1 7 {} N 0.0 {0.632826 0.529619 0.388658} N4 4029 -1 7 {} N 0.0 {0.624933 0.555428 0.40287} N5 4030 -1 7 {} N 0.0 {0.602495 0.549175 0.434076} N6 4031 -1 7 {} N 0.0 {0.590723 0.556537 0.400115} N7 4032 -1 8 {} O 0.0 {0.707629 0.55259 0.432842} O3 4033 -1 6 {} C 0.0 {0.714791 0.524517 0.417375} C1 4034 -1 8 {} O 0.0 {0.69145 0.526313 0.439437} O4 4035 -1 7 {} N 0.0 {0.72422 0.571395 0.315293} N8 4036 -1 8 {} O 0.0 {0.515215 0.674843 0.395354} O5 4037 -1 1 {} H 0.0 {0.654853 0.526796 0.433223} H1 4038 -1 1 {} H 0.0 {0.670453 0.522663 0.431669} H2 4039 -1 1 {} H 0.0 {0.531098 0.409944 0.324458} H3 4040 -1 1 {} H 0.0 {0.52897 0.419897 0.336984} H4 4041 -1 1 {} H 0.0 {0.654774 0.500428 0.380223} H5 4042 -1 1 {} H 0.0 {0.638685 0.500035 0.379373} H6 4043 -1 1 {} H 0.0 {0.677209 0.657391 0.475625} H7 4044 -1 1 {} H 0.0 {0.617776 0.518271 0.453034} H8 4045 -1 1 {} H 0.0 {0.625761 0.563136 0.395993} H9 4046 -1 1 {} H 0.0 {0.630429 0.558994 0.410869} H10 4047 -1 1 {} H 0.0 {0.595563 0.543177 0.429513} H11 4048 -1 1 {} H 0.0 {0.598336 0.551617 0.443597} H12 4049 -1 1 {} H 0.0 {0.594983 0.554958 0.390803} H13 4050 -1 1 {} H 0.0 {0.588676 0.546631 0.402976} H14 4051 -1 1 {} H 0.0 {0.698409 0.555412 0.435657} H15 4052 -1 1 {} H 0.0 {0.709407 0.519438 0.409877} H16 4053 -1 1 {} H 0.0 {0.719982 0.514153 0.428775} H17 4054 -1 1 {} H 0.0 {0.724155 0.530137 0.414336} H18 4055 -1 1 {} H 0.0 {0.693303 0.532183 0.447827} H19 4056 -1 1 {} H 0.0 {0.51644 0.678735 0.405038} H20 4057 -1 1 {} H 0.0 {0.274677 0.611543 0.563457} H21 4058 -1 1 {} H 0.0 {0.516272 0.664983 0.397605} H22 4059 -1 14 {} Si 0.0 {0.476261 0.419951 0.32547} Si1 4060 -1 8 {} O 0.0 {0.463036 0.427027 0.32911} O1 4061 -1 14 {} Si 0.0 {0.450654 0.428238 0.338543} Si2 4062 -1 8 {} O 0.0 {0.438086 0.42066 0.332671} O2 4063 -1 14 {} Si 0.0 {0.424758 0.298537 0.348994} Si3 4064 -1 7 {} N 0.0 {0.412009 0.335515 0.377084} N1 4065 -1 14 {} Si 0.0 {0.357277 0.322282 0.411849} Si4 4066 -1 14 {} Si 0.0 {0.411828 0.32013 0.335423} Si5 4067 -1 7 {} N 0.0 {0.362465 0.328104 0.393486} N2 4068 -1 7 {} N 0.0 {0.419616 0.288128 0.366245} N3 4069 -1 7 {} N 0.0 {0.370535 0.292677 0.427818} N4 4070 -1 7 {} N 0.0 {0.571261 0.677725 0.46401} N5 4071 -1 7 {} N 0.0 {0.304552 0.440384 0.580147} N6 4072 -1 7 {} N 0.0 {0.411068 0.326827 0.319871} N7 4073 -1 8 {} O 0.0 {0.481471 0.420835 0.340071} O3 4074 -1 6 {} C 0.0 {0.474872 0.402226 0.311168} C1 4075 -1 8 {} O 0.0 {0.475148 0.372813 0.313292} O4 4076 -1 7 {} N 0.0 {0.300158 0.436636 0.49618} N8 4077 -1 8 {} O 0.0 {0.412872 0.30584 0.340645} O5 4078 -1 1 {} H 0.0 {0.683794 0.599914 0.383704} H1 4079 -1 1 {} H 0.0 {0.429851 0.458323 0.380323} H2 4080 -1 1 {} H 0.0 {0.371309 0.331571 0.389427} H3 4081 -1 1 {} H 0.0 {0.354413 0.333093 0.38989} H4 4082 -1 1 {} H 0.0 {0.409541 0.289398 0.364974} H5 4083 -1 1 {} H 0.0 {0.422794 0.295871 0.37254} H6 4084 -1 1 {} H 0.0 {0.381453 0.622359 0.264384} H7 4085 -1 1 {} H 0.0 {0.577389 0.675377 0.456153} H8 4086 -1 1 {} H 0.0 {0.56113 0.677809 0.461507} H9 4087 -1 1 {} H 0.0 {0.572842 0.687826 0.46697} H10 4088 -1 1 {} H 0.0 {0.303307 0.434341 0.571974} H11 4089 -1 1 {} H 0.0 {0.297541 0.43756 0.587108} H12 4090 -1 1 {} H 0.0 {0.401196 0.33016 0.318366} H13 4091 -1 1 {} H 0.0 {0.416523 0.335493 0.31991} H14 4092 -1 1 {} H 0.0 {0.499654 0.38234 0.352615} H15 4093 -1 1 {} H 0.0 {0.484179 0.428397 0.317434} H16 4094 -1 1 {} H 0.0 {0.464265 0.401555 0.307084} H17 4095 -1 1 {} H 0.0 {0.481166 0.40384 0.302641} H18 4096 -1 1 {} H 0.0 {0.469572 0.368902 0.319731} H19 4097 -1 1 {} H 0.0 {0.295673 0.429034 0.489963} H20 4098 -1 1 {} H 0.0 {0.296698 0.434005 0.505779} H21 4099 -1 1 {} H 0.0 {0.380858 0.597751 0.285041} H22 4100 -1 14 {} Si 0.0 {0.490217 0.486069 0.369653} Si1 4101 -1 8 {} O 0.0 {0.494606 0.473001 0.361979} O1 4102 -1 14 {} Si 0.0 {0.497301 0.467714 0.347166} Si2 4103 -1 8 {} O 0.0 {0.499214 0.452382 0.349474} O2 4104 -1 14 {} Si 0.0 {0.505063 0.439408 0.357735} Si3 4105 -1 7 {} N 0.0 {0.504012 0.391391 0.349476} N1 4106 -1 14 {} Si 0.0 {0.498565 0.402988 0.360762} Si4 4107 -1 14 {} Si 0.0 {0.374357 0.393094 0.394475} Si5 4108 -1 7 {} N 0.0 {0.510888 0.419062 0.362149} N2 4109 -1 7 {} N 0.0 {0.519478 0.388804 0.348679} N3 4110 -1 7 {} N 0.0 {0.505944 0.394933 0.377419} N4 4111 -1 7 {} N 0.0 {0.449285 0.429723 0.388224} N5 4112 -1 7 {} N 0.0 {0.401292 0.430987 0.318468} N6 4113 -1 7 {} N 0.0 {0.355286 0.393139 0.397148} N7 4114 -1 8 {} O 0.0 {0.506544 0.483249 0.383205} O3 4115 -1 6 {} C 0.0 {0.472512 0.488236 0.374406} C1 4116 -1 8 {} O 0.0 {0.496873 0.49689 0.360909} O4 4117 -1 7 {} N 0.0 {0.534597 0.55159 0.311816} N8 4118 -1 8 {} O 0.0 {0.488234 0.434544 0.358739} O5 4119 -1 1 {} H 0.0 {0.511179 0.475153 0.341825} H1 4120 -1 1 {} H 0.0 {0.486729 0.470692 0.337005} H2 4121 -1 1 {} H 0.0 {0.519339 0.417003 0.356614} H3 4122 -1 1 {} H 0.0 {0.513561 0.419338 0.371835} H4 4123 -1 1 {} H 0.0 {0.521174 0.380793 0.342893} H5 4124 -1 1 {} H 0.0 {0.523469 0.396781 0.343818} H6 4125 -1 1 {} H 0.0 {0.513039 0.389503 0.372495} H7 4126 -1 1 {} H 0.0 {0.510352 0.402793 0.382078} H8 4127 -1 1 {} H 0.0 {0.446722 0.424699 0.378721} H9 4128 -1 1 {} H 0.0 {0.444213 0.480254 0.352614} H10 4129 -1 1 {} H 0.0 {0.407016 0.422942 0.31515} H11 4130 -1 1 {} H 0.0 {0.438134 0.407976 0.588189} H12 4131 -1 1 {} H 0.0 {0.354313 0.388218 0.38847} H13 4132 -1 1 {} H 0.0 {0.353835 0.403066 0.395239} H14 4133 -1 1 {} H 0.0 {0.514559 0.481076 0.378146} H15 4134 -1 1 {} H 0.0 {0.471494 0.498176 0.37775} H16 4135 -1 1 {} H 0.0 {0.471506 0.480822 0.382051} H17 4136 -1 1 {} H 0.0 {0.466755 0.48459 0.365672} H18 4137 -1 1 {} H 0.0 {0.506627 0.496546 0.360669} H19 4138 -1 1 {} H 0.0 {0.534163 0.561358 0.311996} H20 4139 -1 1 {} H 0.0 {0.526035 0.547351 0.314628} H21 4140 -1 1 {} H 0.0 {0.557515 0.505758 0.385494} H22 4141 -1 14 {} Si 0.0 {0.477226 0.706274 0.609589} Si1 4142 -1 8 {} O 0.0 {0.487927 0.712326 0.599236} O1 4143 -1 14 {} Si 0.0 {0.501604 0.710667 0.591094} Si2 4144 -1 8 {} O 0.0 {0.50782 0.696445 0.594064} O2 4145 -1 14 {} Si 0.0 {0.519773 0.686334 0.59368} Si3 4146 -1 7 {} N 0.0 {0.514262 0.66841 0.599556} N1 4147 -1 14 {} Si 0.0 {0.5166 0.657444 0.610938} Si4 4148 -1 14 {} Si 0.0 {0.502989 0.662941 0.589554} Si5 4149 -1 7 {} N 0.0 {0.669689 0.584494 0.298791} N2 4150 -1 7 {} N 0.0 {0.497357 0.359709 0.327467} N3 4151 -1 7 {} N 0.0 {0.710851 0.649539 0.471245} N4 4152 -1 7 {} N 0.0 {0.517333 0.66495 0.628133} N5 4153 -1 7 {} N 0.0 {0.589883 0.654306 0.589659} N6 4154 -1 7 {} N 0.0 {0.505249 0.647726 0.578686} N7 4155 -1 8 {} O 0.0 {0.469797 0.695665 0.599852} O3 4156 -1 6 {} C 0.0 {0.467395 0.71878 0.62106} C1 4157 -1 8 {} O 0.0 {0.487527 0.695287 0.615841} O4 4158 -1 7 {} N 0.0 {0.535783 0.691356 0.603703} N8 4159 -1 8 {} O 0.0 {0.521595 0.686001 0.57795} O5 4160 -1 1 {} H 0.0 {0.511771 0.720949 0.594222} H1 4161 -1 1 {} H 0.0 {0.497839 0.712122 0.574564} H2 4162 -1 1 {} H 0.0 {0.677818 0.579001 0.302281} H3 4163 -1 1 {} H 0.0 {0.673659 0.590323 0.291047} H4 4164 -1 1 {} H 0.0 {0.495412 0.365035 0.336193} H5 4165 -1 1 {} H 0.0 {0.496525 0.349743 0.330424} H6 4166 -1 1 {} H 0.0 {0.701781 0.655066 0.470592} H7 4167 -1 1 {} H 0.0 {0.712063 0.645016 0.461901} H8 4168 -1 1 {} H 0.0 {0.527036 0.663544 0.631199} H9 4169 -1 1 {} H 0.0 {0.517473 0.674897 0.624943} H10 4170 -1 1 {} H 0.0 {0.584617 0.661391 0.594933} H11 4171 -1 1 {} H 0.0 {0.587073 0.644882 0.593388} H12 4172 -1 1 {} H 0.0 {0.515054 0.648081 0.575111} H13 4173 -1 1 {} H 0.0 {0.499848 0.649374 0.570489} H14 4174 -1 1 {} H 0.0 {0.474596 0.687728 0.600312} H15 4175 -1 1 {} H 0.0 {0.458498 0.720854 0.615923} H16 4176 -1 1 {} H 0.0 {0.473825 0.727259 0.622758} H17 4177 -1 1 {} H 0.0 {0.464453 0.714214 0.630343} H18 4178 -1 1 {} H 0.0 {0.494505 0.694371 0.609513} H19 4179 -1 1 {} H 0.0 {0.543528 0.688537 0.597785} H20 4180 -1 1 {} H 0.0 {0.536065 0.701165 0.603532} H21 4181 -1 1 {} H 0.0 {0.530963 0.687306 0.575258} H22 4182 -1 14 {} Si 0.0 {0.650351 0.565607 0.517383} Si1 4183 -1 8 {} O 0.0 {0.639995 0.577794 0.51816} O1 4184 -1 14 {} Si 0.0 {0.632553 0.59097 0.523513} Si2 4185 -1 8 {} O 0.0 {0.638074 0.603211 0.515915} O2 4186 -1 14 {} Si 0.0 {0.649408 0.609899 0.507506} Si3 4187 -1 7 {} N 0.0 {0.660655 0.618112 0.520294} N1 4188 -1 14 {} Si 0.0 {0.675423 0.611324 0.524079} Si4 4189 -1 14 {} Si 0.0 {0.656765 0.628264 0.532358} Si5 4190 -1 7 {} N 0.0 {0.690506 0.612345 0.511201} N2 4191 -1 7 {} N 0.0 {0.67308 0.592174 0.525549} N3 4192 -1 7 {} N 0.0 {0.682866 0.620862 0.541004} N4 4193 -1 7 {} N 0.0 {0.669097 0.627286 0.548698} N5 4194 -1 7 {} N 0.0 {0.658204 0.645863 0.525116} N6 4195 -1 7 {} N 0.0 {0.638293 0.625626 0.537908} N7 4196 -1 8 {} O 0.0 {0.638018 0.555751 0.513407} O3 4197 -1 6 {} C 0.0 {0.661961 0.561743 0.532734} C1 4198 -1 8 {} O 0.0 {0.655208 0.56951 0.502997} O4 4199 -1 7 {} N 0.0 {0.64566 0.625951 0.497133} N8 4200 -1 8 {} O 0.0 {0.65515 0.597628 0.497567} O5 4201 -1 1 {} H 0.0 {0.637238 0.592041 0.535567} H1 4202 -1 1 {} H 0.0 {0.596535 0.592875 0.471369} H2 4203 -1 1 {} H 0.0 {0.696393 0.620791 0.5131} H3 4204 -1 1 {} H 0.0 {0.685891 0.613006 0.502205} H4 4205 -1 1 {} H 0.0 {0.667001 0.592117 0.533994} H5 4206 -1 1 {} H 0.0 {0.681957 0.589273 0.529015} H6 4207 -1 1 {} H 0.0 {0.689493 0.626919 0.535791} H7 4208 -1 1 {} H 0.0 {0.689144 0.617801 0.548739} H8 4209 -1 1 {} H 0.0 {0.66325 0.620388 0.553631} H9 4210 -1 1 {} H 0.0 {0.671575 0.635866 0.55389} H10 4211 -1 1 {} H 0.0 {0.667716 0.648066 0.524962} H11 4212 -1 1 {} H 0.0 {0.65668 0.644145 0.51531} H12 4213 -1 1 {} H 0.0 {0.634473 0.634614 0.535121} H13 4214 -1 1 {} H 0.0 {0.636176 0.61874 0.530537} H14 4215 -1 1 {} H 0.0 {0.639477 0.551181 0.505531} H15 4216 -1 1 {} H 0.0 {0.666104 0.552058 0.529927} H16 4217 -1 1 {} H 0.0 {0.656614 0.562839 0.541749} H17 4218 -1 1 {} H 0.0 {0.668947 0.569479 0.532192} H18 4219 -1 1 {} H 0.0 {0.650495 0.564486 0.49521} H19 4220 -1 1 {} H 0.0 {0.654487 0.630759 0.496353} H20 4221 -1 1 {} H 0.0 {0.644032 0.620763 0.488215} H21 4222 -1 1 {} H 0.0 {0.710438 0.571876 0.4783} H22 4223 -1 14 {} Si 0.0 {0.549988 0.388445 0.643398} Si1 4224 -1 8 {} O 0.0 {0.553279 0.381937 0.629765} O1 4225 -1 14 {} Si 0.0 {0.550492 0.378654 0.614719} Si2 4226 -1 8 {} O 0.0 {0.539152 0.389373 0.61107} O2 4227 -1 14 {} Si 0.0 {0.537233 0.402892 0.601948} Si3 4228 -1 7 {} N 0.0 {0.523492 0.416021 0.594175} N1 4229 -1 14 {} Si 0.0 {0.507212 0.415378 0.597207} Si4 4230 -1 14 {} Si 0.0 {0.526931 0.429976 0.585652} Si5 4231 -1 7 {} N 0.0 {0.50475 0.400161 0.606702} N2 4232 -1 7 {} N 0.0 {0.497596 0.411545 0.582638} N3 4233 -1 7 {} N 0.0 {0.500569 0.431851 0.604288} N4 4234 -1 7 {} N 0.0 {0.537609 0.443157 0.594793} N5 4235 -1 7 {} N 0.0 {0.539983 0.425824 0.569926} N6 4236 -1 7 {} N 0.0 {0.513913 0.437019 0.575655} N7 4237 -1 8 {} O 0.0 {0.559502 0.370818 0.652609} O3 4238 -1 6 {} C 0.0 {0.533147 0.393355 0.646851} C1 4239 -1 8 {} O 0.0 {0.561807 0.398932 0.64165} O4 4240 -1 7 {} N 0.0 {0.530948 0.394106 0.584833} N8 4241 -1 8 {} O 0.0 {0.538124 0.411693 0.620462} O5 4242 -1 1 {} H 0.0 {0.542819 0.364434 0.614158} H1 4243 -1 1 {} H 0.0 {0.588565 0.381678 0.631679} H2 4244 -1 1 {} H 0.0 {0.497374 0.396138 0.600967} H3 4245 -1 1 {} H 0.0 {0.513625 0.395471 0.604786} H4 4246 -1 1 {} H 0.0 {0.496039 0.421057 0.57902} H5 4247 -1 1 {} H 0.0 {0.488157 0.407755 0.58516} H6 4248 -1 1 {} H 0.0 {0.508346 0.437837 0.60289} H7 4249 -1 1 {} H 0.0 {0.493223 0.434535 0.597685} H8 4250 -1 1 {} H 0.0 {0.540125 0.438202 0.603269} H9 4251 -1 1 {} H 0.0 {0.546306 0.443605 0.589879} H10 4252 -1 1 {} H 0.0 {0.533522 0.421129 0.563433} H11 4253 -1 1 {} H 0.0 {0.540664 0.436047 0.567142} H12 4254 -1 1 {} H 0.0 {0.50894 0.445342 0.57928} H13 4255 -1 1 {} H 0.0 {0.519721 0.44057 0.567198} H14 4256 -1 1 {} H 0.0 {0.56093 0.366423 0.644124} H15 4257 -1 1 {} H 0.0 {0.529252 0.389361 0.655456} H16 4258 -1 1 {} H 0.0 {0.525902 0.392347 0.639082} H17 4259 -1 1 {} H 0.0 {0.545809 0.420747 0.647037} H18 4260 -1 1 {} H 0.0 {0.570766 0.394373 0.643683} H19 4261 -1 1 {} H 0.0 {0.520936 0.394637 0.587445} H20 4262 -1 1 {} H 0.0 {0.532474 0.400485 0.577568} H21 4263 -1 1 {} H 0.0 {0.541435 0.404379 0.625634} H22 4264 -1 14 {} Si 0.0 {0.493837 0.355466 0.498542} Si1 4265 -1 8 {} O 0.0 {0.495633 0.3564 0.514202} O1 4266 -1 14 {} Si 0.0 {0.506054 0.358531 0.525915} Si2 4267 -1 8 {} O 0.0 {0.50587 0.37462 0.526438} O2 4268 -1 14 {} Si 0.0 {0.501826 0.387342 0.534417} Si3 4269 -1 7 {} N 0.0 {0.484292 0.396308 0.532171} N1 4270 -1 14 {} Si 0.0 {0.476736 0.397754 0.517348} Si4 4271 -1 14 {} Si 0.0 {0.473727 0.402036 0.543545} Si5 4272 -1 7 {} N 0.0 {0.492211 0.394176 0.50589} N2 4273 -1 7 {} N 0.0 {0.472049 0.414222 0.508464} N3 4274 -1 7 {} N 0.0 {0.463848 0.384551 0.512541} N4 4275 -1 7 {} N 0.0 {0.478709 0.4184 0.551516} N5 4276 -1 7 {} N 0.0 {0.454719 0.402583 0.537487} N6 4277 -1 7 {} N 0.0 {0.473911 0.388498 0.557218} N7 4278 -1 8 {} O 0.0 {0.513764 0.353062 0.493715} O3 4279 -1 6 {} C 0.0 {0.481391 0.36594 0.489535} C1 4280 -1 8 {} O 0.0 {0.492005 0.339826 0.499432} O4 4281 -1 7 {} N 0.0 {0.513639 0.402879 0.527927} N8 4282 -1 8 {} O 0.0 {0.5081 0.383264 0.549303} O5 4283 -1 1 {} H 0.0 {0.54891 0.421405 0.510475} H1 4284 -1 1 {} H 0.0 {0.497451 0.354898 0.535827} H2 4285 -1 1 {} H 0.0 {0.496766 0.386376 0.510899} H3 4286 -1 1 {} H 0.0 {0.498131 0.402026 0.504151} H4 4287 -1 1 {} H 0.0 {0.477541 0.415315 0.500596} H5 4288 -1 1 {} H 0.0 {0.462999 0.411542 0.504462} H6 4289 -1 1 {} H 0.0 {0.461961 0.380608 0.521443} H7 4290 -1 1 {} H 0.0 {0.456903 0.391098 0.50986} H8 4291 -1 1 {} H 0.0 {0.489126 0.417926 0.551075} H9 4292 -1 1 {} H 0.0 {0.477694 0.425191 0.544174} H10 4293 -1 1 {} H 0.0 {0.453802 0.39271 0.534105} H11 4294 -1 1 {} H 0.0 {0.454159 0.407651 0.527965} H12 4295 -1 1 {} H 0.0 {0.477332 0.393882 0.564991} H13 4296 -1 1 {} H 0.0 {0.481632 0.383355 0.553596} H14 4297 -1 1 {} H 0.0 {0.517273 0.361681 0.497892} H15 4298 -1 1 {} H 0.0 {0.480671 0.364109 0.47904} H16 4299 -1 1 {} H 0.0 {0.484188 0.375944 0.491203} H17 4300 -1 1 {} H 0.0 {0.47227 0.363148 0.493637} H18 4301 -1 1 {} H 0.0 {0.499709 0.334476 0.498448} H19 4302 -1 1 {} H 0.0 {0.507691 0.409921 0.522266} H20 4303 -1 1 {} H 0.0 {0.523317 0.403883 0.525023} H21 4304 -1 1 {} H 0.0 {0.517085 0.377562 0.548571} H22 4305 -1 14 {} Si 0.0 {0.579386 0.342785 0.447253} Si1 4306 -1 8 {} O 0.0 {0.569508 0.332476 0.440407} O1 4307 -1 14 {} Si 0.0 {0.653276 0.348864 0.446405} Si2 4308 -1 8 {} O 0.0 {0.653942 0.362622 0.452829} O2 4309 -1 14 {} Si 0.0 {0.650025 0.371448 0.465252} Si3 4310 -1 7 {} N 0.0 {0.632551 0.379424 0.460829} N1 4311 -1 14 {} Si 0.0 {0.63382 0.389302 0.448094} Si4 4312 -1 14 {} Si 0.0 {0.617388 0.376967 0.464935} Si5 4313 -1 7 {} N 0.0 {0.6524 0.394909 0.450871} N2 4314 -1 7 {} N 0.0 {0.6247 0.407448 0.449589} N3 4315 -1 7 {} N 0.0 {0.631458 0.381282 0.430609} N4 4316 -1 7 {} N 0.0 {0.615777 0.381811 0.482562} N5 4317 -1 7 {} N 0.0 {0.683912 0.326253 0.494905} N6 4318 -1 7 {} N 0.0 {0.604824 0.451984 0.454054} N7 4319 -1 8 {} O 0.0 {0.577328 0.337184 0.462616} O3 4320 -1 6 {} C 0.0 {0.594575 0.340199 0.464937} C1 4321 -1 8 {} O 0.0 {0.583103 0.315992 0.429031} O4 4322 -1 7 {} N 0.0 {0.647264 0.365922 0.483657} N8 4323 -1 8 {} O 0.0 {0.605445 0.373669 0.454631} O5 4324 -1 1 {} H 0.0 {0.653695 0.349756 0.431923} H1 4325 -1 1 {} H 0.0 {0.636943 0.343298 0.446919} H2 4326 -1 1 {} H 0.0 {0.654467 0.402504 0.44472} H3 4327 -1 1 {} H 0.0 {0.652157 0.399397 0.459831} H4 4328 -1 1 {} H 0.0 {0.620513 0.404303 0.458477} H5 4329 -1 1 {} H 0.0 {0.632273 0.413839 0.452714} H6 4330 -1 1 {} H 0.0 {0.635323 0.37217 0.432673} H7 4331 -1 1 {} H 0.0 {0.638776 0.385528 0.424791} H8 4332 -1 1 {} H 0.0 {0.615236 0.373972 0.488423} H9 4333 -1 1 {} H 0.0 {0.624055 0.387733 0.485116} H10 4334 -1 1 {} H 0.0 {0.693787 0.325257 0.497815} H11 4335 -1 1 {} H 0.0 {0.685359 0.331954 0.486435} H12 4336 -1 1 {} H 0.0 {0.608279 0.453201 0.444227} H13 4337 -1 1 {} H 0.0 {0.595873 0.446655 0.453395} H14 4338 -1 1 {} H 0.0 {0.571921 0.348563 0.467518} H15 4339 -1 1 {} H 0.0 {0.6017 0.345939 0.460833} H16 4340 -1 1 {} H 0.0 {0.600058 0.330878 0.464089} H17 4341 -1 1 {} H 0.0 {0.593583 0.345207 0.474357} H18 4342 -1 1 {} H 0.0 {0.590166 0.319751 0.434917} H19 4343 -1 1 {} H 0.0 {0.639362 0.371933 0.486558} H20 4344 -1 1 {} H 0.0 {0.644578 0.356253 0.484014} H21 4345 -1 1 {} H 0.0 {0.596364 0.374245 0.459539} H22 4346 -1 14 {} Si 0.0 {0.586924 0.626818 0.38115} Si1 4347 -1 8 {} O 0.0 {0.574192 0.618721 0.387418} O1 4348 -1 14 {} Si 0.0 {0.557311 0.618635 0.386681} Si2 4349 -1 8 {} O 0.0 {0.557062 0.606888 0.376532} O2 4350 -1 14 {} Si 0.0 {0.55408 0.599656 0.36253} Si3 4351 -1 7 {} N 0.0 {0.563421 0.585276 0.35454} N1 4352 -1 14 {} Si 0.0 {0.565964 0.583399 0.338771} Si4 4353 -1 14 {} Si 0.0 {0.571508 0.575614 0.369585} Si5 4354 -1 7 {} N 0.0 {0.549413 0.590898 0.330679} N2 4355 -1 7 {} N 0.0 {0.569082 0.563512 0.335681} N3 4356 -1 7 {} N 0.0 {0.581833 0.594413 0.335626} N4 4357 -1 7 {} N 0.0 {0.586044 0.585795 0.377962} N5 4358 -1 7 {} N 0.0 {0.560243 0.576926 0.385184} N6 4359 -1 7 {} N 0.0 {0.581551 0.559465 0.367072} N7 4360 -1 8 {} O 0.0 {0.596557 0.61402 0.378554} O3 4361 -1 6 {} C 0.0 {0.595079 0.64316 0.387042} C1 4362 -1 8 {} O 0.0 {0.584149 0.625399 0.365059} O4 4363 -1 7 {} N 0.0 {0.556005 0.614723 0.350516} N8 4364 -1 8 {} O 0.0 {0.539117 0.595793 0.365283} O5 4365 -1 1 {} H 0.0 {0.502898 0.65709 0.296644} H1 4366 -1 1 {} H 0.0 {0.55141 0.610099 0.399219} H2 4367 -1 1 {} H 0.0 {0.552889 0.600219 0.328158} H3 4368 -1 1 {} H 0.0 {0.544479 0.591914 0.339851} H4 4369 -1 1 {} H 0.0 {0.559481 0.560293 0.337097} H5 4370 -1 1 {} H 0.0 {0.573711 0.561374 0.344554} H6 4371 -1 1 {} H 0.0 {0.58744 0.587395 0.340755} H7 4372 -1 1 {} H 0.0 {0.58084 0.602618 0.341853} H8 4373 -1 1 {} H 0.0 {0.592211 0.578928 0.382359} H9 4374 -1 1 {} H 0.0 {0.590943 0.587621 0.369372} H10 4375 -1 1 {} H 0.0 {0.565939 0.573576 0.392912} H11 4376 -1 1 {} H 0.0 {0.559883 0.586683 0.385229} H12 4377 -1 1 {} H 0.0 {0.591111 0.563755 0.365349} H13 4378 -1 1 {} H 0.0 {0.583283 0.554638 0.375671} H14 4379 -1 1 {} H 0.0 {0.591307 0.606086 0.380209} H15 4380 -1 1 {} H 0.0 {0.588256 0.648064 0.393413} H16 4381 -1 1 {} H 0.0 {0.59721 0.647656 0.377858} H17 4382 -1 1 {} H 0.0 {0.603814 0.64107 0.392141} H18 4383 -1 1 {} H 0.0 {0.597891 0.58495 0.432618} H19 4384 -1 1 {} H 0.0 {0.560425 0.609937 0.342931} H20 4385 -1 1 {} H 0.0 {0.546771 0.615218 0.347166} H21 4386 -1 1 {} H 0.0 {0.538487 0.590896 0.37407} H22 4387 -1 14 {} Si 0.0 {0.425917 0.485607 0.486273} Si1 4388 -1 8 {} O 0.0 {0.421783 0.483785 0.471402} O1 4389 -1 14 {} Si 0.0 {0.422171 0.492067 0.45733} Si2 4390 -1 8 {} O 0.0 {0.416806 0.5056 0.462933} O2 4391 -1 14 {} Si 0.0 {0.419193 0.519045 0.46962} Si3 4392 -1 7 {} N 0.0 {0.403566 0.525054 0.480236} N1 4393 -1 14 {} Si 0.0 {0.390243 0.531676 0.473241} Si4 4394 -1 14 {} Si 0.0 {0.404003 0.526648 0.496598} Si5 4395 -1 7 {} N 0.0 {0.373618 0.528145 0.479122} N2 4396 -1 7 {} N 0.0 {0.390954 0.522495 0.45625} N3 4397 -1 7 {} N 0.0 {0.391089 0.550589 0.468795} N4 4398 -1 7 {} N 0.0 {0.394801 0.54275 0.502611} N5 4399 -1 7 {} N 0.0 {0.396655 0.510226 0.506183} N6 4400 -1 7 {} N 0.0 {0.422587 0.528833 0.502549} N7 4401 -1 8 {} O 0.0 {0.411502 0.490409 0.491415} O3 4402 -1 6 {} C 0.0 {0.441674 0.494305 0.491702} C1 4403 -1 8 {} O 0.0 {0.420468 0.466968 0.493225} O4 4404 -1 7 {} N 0.0 {0.421467 0.532371 0.456763} N8 4405 -1 8 {} O 0.0 {0.432511 0.516005 0.477531} O5 4406 -1 1 {} H 0.0 {0.414147 0.453931 0.458035} H1 4407 -1 1 {} H 0.0 {0.437927 0.493978 0.452859} H2 4408 -1 1 {} H 0.0 {0.371581 0.520219 0.473059} H3 4409 -1 1 {} H 0.0 {0.376002 0.524008 0.487918} H4 4410 -1 1 {} H 0.0 {0.397234 0.515366 0.457521} H5 4411 -1 1 {} H 0.0 {0.381605 0.519201 0.457226} H6 4412 -1 1 {} H 0.0 {0.385308 0.550341 0.460096} H7 4413 -1 1 {} H 0.0 {0.385883 0.5565 0.474997} H8 4414 -1 1 {} H 0.0 {0.391875 0.54933 0.49513} H9 4415 -1 1 {} H 0.0 {0.40107 0.547841 0.508186} H10 4416 -1 1 {} H 0.0 {0.400721 0.510122 0.515623} H11 4417 -1 1 {} H 0.0 {0.398711 0.50103 0.500741} H12 4418 -1 1 {} H 0.0 {0.427725 0.525905 0.49417} H13 4419 -1 1 {} H 0.0 {0.425061 0.523206 0.509638} H14 4420 -1 1 {} H 0.0 {0.406183 0.492245 0.48311} H15 4421 -1 1 {} H 0.0 {0.445747 0.48734 0.49872} H16 4422 -1 1 {} H 0.0 {0.438416 0.50378 0.495158} H17 4423 -1 1 {} H 0.0 {0.448556 0.495223 0.483083} H18 4424 -1 1 {} H 0.0 {0.417435 0.468975 0.502389} H19 4425 -1 1 {} H 0.0 {0.413282 0.539162 0.457668} H20 4426 -1 1 {} H 0.0 {0.429075 0.538073 0.458494} H21 4427 -1 1 {} H 0.0 {0.439925 0.520808 0.473302} H22 4428 -1 14 {} Si 0.0 {0.506828 0.279605 0.406121} Si1 4429 -1 8 {} O 0.0 {0.509672 0.292395 0.397145} O1 4430 -1 14 {} Si 0.0 {0.518915 0.300773 0.387823} Si2 4431 -1 8 {} O 0.0 {0.51026 0.308422 0.370509} O2 4432 -1 14 {} Si 0.0 {0.510529 0.324506 0.370635} Si3 4433 -1 7 {} N 0.0 {0.512861 0.332612 0.388781} N1 4434 -1 14 {} Si 0.0 {0.507789 0.346822 0.393566} Si4 4435 -1 14 {} Si 0.0 {0.525043 0.326053 0.402682} Si5 4436 -1 7 {} N 0.0 {0.505961 0.348775 0.412166} N2 4437 -1 7 {} N 0.0 {0.48989 0.351152 0.386886} N3 4438 -1 7 {} N 0.0 {0.520322 0.361722 0.386385} N4 4439 -1 7 {} N 0.0 {0.53995 0.316256 0.393355} N5 4440 -1 7 {} N 0.0 {0.53819 0.340427 0.4057} N6 4441 -1 7 {} N 0.0 {0.519316 0.321115 0.420438} N7 4442 -1 8 {} O 0.0 {0.513497 0.288749 0.424629} O3 4443 -1 6 {} C 0.0 {0.513172 0.263044 0.404163} C1 4444 -1 8 {} O 0.0 {0.492235 0.284064 0.407408} O4 4445 -1 7 {} N 0.0 {0.497574 0.335065 0.36284} N8 4446 -1 8 {} O 0.0 {0.525308 0.326093 0.365627} O5 4447 -1 1 {} H 0.0 {0.532246 0.293232 0.384635} H1 4448 -1 1 {} H 0.0 {0.521613 0.311923 0.395247} H2 4449 -1 1 {} H 0.0 {0.506509 0.358954 0.41308} H3 4450 -1 1 {} H 0.0 {0.514698 0.345484 0.41654} H4 4451 -1 1 {} H 0.0 {0.492476 0.352595 0.377085} H5 4452 -1 1 {} H 0.0 {0.485284 0.341741 0.388784} H6 4453 -1 1 {} H 0.0 {0.513523 0.36935 0.388682} H7 4454 -1 1 {} H 0.0 {0.519507 0.36013 0.376106} H8 4455 -1 1 {} H 0.0 {0.54561 0.324464 0.391034} H9 4456 -1 1 {} H 0.0 {0.543919 0.311538 0.402007} H10 4457 -1 1 {} H 0.0 {0.534974 0.343641 0.414964} H11 4458 -1 1 {} H 0.0 {0.533556 0.347194 0.399562} H12 4459 -1 1 {} H 0.0 {0.510643 0.327206 0.421879} H13 4460 -1 1 {} H 0.0 {0.526275 0.32703 0.425393} H14 4461 -1 1 {} H 0.0 {0.523412 0.287267 0.424437} H15 4462 -1 1 {} H 0.0 {0.37314 0.294153 0.500287} H16 4463 -1 1 {} H 0.0 {0.507641 0.256732 0.410476} H17 4464 -1 1 {} H 0.0 {0.376007 0.297224 0.493951} H18 4465 -1 1 {} H 0.0 {0.493883 0.282914 0.453324} H19 4466 -1 1 {} H 0.0 {0.50305 0.340732 0.356607} H20 4467 -1 1 {} H 0.0 {0.493186 0.328852 0.356094} H21 4468 -1 1 {} H 0.0 {0.531132 0.324037 0.372847} H22 4469 -1 14 {} Si 0.0 {0.357694 0.383956 0.557468} Si1 4470 -1 8 {} O 0.0 {0.365022 0.374064 0.566329} O1 4471 -1 14 {} Si 0.0 {0.366621 0.362585 0.576763} Si2 4472 -1 8 {} O 0.0 {0.359806 0.349634 0.5729} O2 4473 -1 14 {} Si 0.0 {0.352201 0.341502 0.56145} Si3 4474 -1 7 {} N 0.0 {0.335274 0.344324 0.560097} N1 4475 -1 14 {} Si 0.0 {0.324642 0.33832 0.574716} Si4 4476 -1 14 {} Si 0.0 {0.327316 0.348049 0.54566} Si5 4477 -1 7 {} N 0.0 {0.337169 0.337314 0.589192} N2 4478 -1 7 {} N 0.0 {0.318731 0.323706 0.570988} N3 4479 -1 7 {} N 0.0 {0.310407 0.352092 0.581357} N4 4480 -1 7 {} N 0.0 {0.332234 0.361958 0.540505} N5 4481 -1 7 {} N 0.0 {0.333586 0.334311 0.533437} N6 4482 -1 7 {} N 0.0 {0.308717 0.347001 0.548303} N7 4483 -1 8 {} O 0.0 {0.343429 0.378803 0.560608} O3 4484 -1 6 {} C 0.0 {0.360321 0.391272 0.525007} C1 4485 -1 8 {} O 0.0 {0.360585 0.396734 0.565692} O4 4486 -1 7 {} N 0.0 {0.353138 0.322286 0.565046} N8 4487 -1 8 {} O 0.0 {0.361499 0.345216 0.549027} O5 4488 -1 1 {} H 0.0 {0.360889 0.36651 0.588849} H1 4489 -1 1 {} H 0.0 {0.383733 0.357579 0.577211} H2 4490 -1 1 {} H 0.0 {0.344979 0.344187 0.58743} H3 4491 -1 1 {} H 0.0 {0.341445 0.328524 0.586781} H4 4492 -1 1 {} H 0.0 {0.362957 0.657273 0.46725} H5 4493 -1 1 {} H 0.0 {0.309166 0.322036 0.571647} H6 4494 -1 1 {} H 0.0 {0.315342 0.361115 0.582159} H7 4495 -1 1 {} H 0.0 {0.303972 0.352845 0.573092} H8 4496 -1 1 {} H 0.0 {0.50382 0.461533 0.44976} H9 4497 -1 1 {} H 0.0 {0.715035 0.490159 0.358819} H10 4498 -1 1 {} H 0.0 {0.338335 0.340262 0.527112} H11 4499 -1 1 {} H 0.0 {0.340821 0.32997 0.53965} H12 4500 -1 1 {} H 0.0 {0.307486 0.34489 0.558077} H13 4501 -1 1 {} H 0.0 {0.306199 0.338356 0.543702} H14 4502 -1 1 {} H 0.0 {0.341864 0.370022 0.556342} H15 4503 -1 1 {} H 0.0 {0.351604 0.396633 0.526262} H16 4504 -1 1 {} H 0.0 {0.359928 0.387313 0.515057} H17 4505 -1 1 {} H 0.0 {0.369463 0.398138 0.525091} H18 4506 -1 1 {} H 0.0 {0.353285 0.399752 0.571777} H19 4507 -1 1 {} H 0.0 {0.342981 0.321357 0.565695} H20 4508 -1 1 {} H 0.0 {0.357184 0.321869 0.574205} H21 4509 -1 1 {} H 0.0 {0.364192 0.354257 0.549365} H22 4510 -1 14 {} Si 0.0 {0.419027 0.336597 0.472774} Si1 4511 -1 8 {} O 0.0 {0.414446 0.321931 0.475297} O1 4512 -1 14 {} Si 0.0 {0.410185 0.307629 0.48052} Si2 4513 -1 8 {} O 0.0 {0.405204 0.299734 0.468539} O2 4514 -1 14 {} Si 0.0 {0.395389 0.290102 0.460711} Si3 4515 -1 7 {} N 0.0 {0.400021 0.285026 0.443382} N1 4516 -1 14 {} Si 0.0 {0.407538 0.294806 0.433122} Si4 4517 -1 14 {} Si 0.0 {0.403278 0.27075 0.435959} Si5 4518 -1 7 {} N 0.0 {0.419599 0.305827 0.441281} N2 4519 -1 7 {} N 0.0 {0.388016 0.326929 0.441938} N3 4520 -1 7 {} N 0.0 {0.398376 0.305785 0.418381} N4 4521 -1 7 {} N 0.0 {0.387222 0.260237 0.434017} N5 4522 -1 7 {} N 0.0 {0.412462 0.268817 0.418982} N6 4523 -1 7 {} N 0.0 {0.412821 0.260639 0.448527} N7 4524 -1 8 {} O 0.0 {0.422918 0.30138 0.487147} O3 4525 -1 6 {} C 0.0 {0.412465 0.34578 0.457444} C1 4526 -1 8 {} O 0.0 {0.445088 0.31272 0.472139} O4 4527 -1 7 {} N 0.0 {0.376034 0.295867 0.46037} N8 4528 -1 8 {} O 0.0 {0.394438 0.280053 0.472565} O5 4529 -1 1 {} H 0.0 {0.39769 0.309931 0.491357} H1 4530 -1 1 {} H 0.0 {0.43132 0.305095 0.483526} H2 4531 -1 1 {} H 0.0 {0.428854 0.303368 0.439328} H3 4532 -1 1 {} H 0.0 {0.417041 0.304688 0.451293} H4 4533 -1 1 {} H 0.0 {0.387065 0.337158 0.440207} H5 4534 -1 1 {} H 0.0 {0.38161 0.321632 0.435942} H6 4535 -1 1 {} H 0.0 {0.398551 0.315137 0.423133} H7 4536 -1 1 {} H 0.0 {0.388643 0.302411 0.421198} H8 4537 -1 1 {} H 0.0 {0.389428 0.251787 0.428372} H9 4538 -1 1 {} H 0.0 {0.380793 0.265652 0.428279} H10 4539 -1 1 {} H 0.0 {0.415084 0.258867 0.419563} H11 4540 -1 1 {} H 0.0 {0.420882 0.273964 0.420397} H12 4541 -1 1 {} H 0.0 {0.419727 0.267396 0.451057} H13 4542 -1 1 {} H 0.0 {0.40643 0.261951 0.456373} H14 4543 -1 1 {} H 0.0 {0.499264 0.281813 0.438997} H15 4544 -1 1 {} H 0.0 {0.402247 0.343692 0.457234} H16 4545 -1 1 {} H 0.0 {0.416844 0.340077 0.449521} H17 4546 -1 1 {} H 0.0 {0.415497 0.355546 0.459079} H18 4547 -1 1 {} H 0.0 {0.445039 0.309913 0.462552} H19 4548 -1 1 {} H 0.0 {0.373753 0.292726 0.450941} H20 4549 -1 1 {} H 0.0 {0.373635 0.288405 0.467315} H21 4550 -1 1 {} H 0.0 {0.615144 0.651294 0.44243} H22 4551 -1 14 {} Si 0.0 {0.463589 0.471085 0.472255} Si1 4552 -1 8 {} O 0.0 {0.456673 0.467659 0.486477} O1 4553 -1 14 {} Si 0.0 {0.449381 0.455869 0.495531} Si2 4554 -1 8 {} O 0.0 {0.453467 0.446018 0.483575} O2 4555 -1 14 {} Si 0.0 {0.450452 0.432767 0.475097} Si3 4556 -1 7 {} N 0.0 {0.444055 0.415615 0.484155} N1 4557 -1 14 {} Si 0.0 {0.435454 0.422111 0.496914} Si4 4558 -1 14 {} Si 0.0 {0.446779 0.400448 0.480128} Si5 4559 -1 7 {} N 0.0 {0.437354 0.410638 0.512828} N2 4560 -1 7 {} N 0.0 {0.417713 0.423397 0.492186} N3 4561 -1 7 {} N 0.0 {0.439685 0.440094 0.50458} N4 4562 -1 7 {} N 0.0 {0.438514 0.385717 0.488677} N5 4563 -1 7 {} N 0.0 {0.4436 0.398688 0.461509} N6 4564 -1 7 {} N 0.0 {0.466142 0.39588 0.479179} N7 4565 -1 8 {} O 0.0 {0.464771 0.486765 0.474481} O3 4566 -1 6 {} C 0.0 {0.454241 0.465856 0.456175} C1 4567 -1 8 {} O 0.0 {0.478824 0.46756 0.476427} O4 4568 -1 7 {} N 0.0 {0.466698 0.428423 0.465369} N8 4569 -1 8 {} O 0.0 {0.439571 0.43833 0.465265} O5 4570 -1 1 {} H 0.0 {0.43241 0.461663 0.49475} H1 4571 -1 1 {} H 0.0 {0.466375 0.439189 0.529178} H2 4572 -1 1 {} H 0.0 {0.427826 0.406468 0.511918} H3 4573 -1 1 {} H 0.0 {0.436685 0.417612 0.520483} H4 4574 -1 1 {} H 0.0 {0.417631 0.432227 0.487239} H5 4575 -1 1 {} H 0.0 {0.416502 0.415805 0.485639} H6 4576 -1 1 {} H 0.0 {0.43314 0.44504 0.5115} H7 4577 -1 1 {} H 0.0 {0.44777 0.436754 0.510447} H8 4578 -1 1 {} H 0.0 {0.434754 0.38967 0.497254} H9 4579 -1 1 {} H 0.0 {0.445961 0.379682 0.491414} H10 4580 -1 1 {} H 0.0 {0.450129 0.391489 0.458134} H11 4581 -1 1 {} H 0.0 {0.446799 0.40756 0.457873} H12 4582 -1 1 {} H 0.0 {0.466232 0.387561 0.473558} H13 4583 -1 1 {} H 0.0 {0.468282 0.393406 0.488537} H14 4584 -1 1 {} H 0.0 {0.474583 0.48938 0.47608} H15 4585 -1 1 {} H 0.0 {0.45885 0.457617 0.451161} H16 4586 -1 1 {} H 0.0 {0.453169 0.475076 0.451137} H17 4587 -1 1 {} H 0.0 {0.444259 0.462986 0.457985} H18 4588 -1 1 {} H 0.0 {0.464334 0.431765 0.444433} H19 4589 -1 1 {} H 0.0 {0.475042 0.434031 0.466002} H20 4590 -1 1 {} H 0.0 {0.469861 0.419769 0.469642} H21 4591 -1 1 {} H 0.0 {0.45064 0.388607 0.558306} H22 4592 -1 14 {} Si 0.0 {0.394656 0.600097 0.250089} Si1 4593 -1 8 {} O 0.0 {0.404741 0.621108 0.258199} O1 4594 -1 14 {} Si 0.0 {0.41903 0.620716 0.251399} Si2 4595 -1 8 {} O 0.0 {0.714496 0.57465 0.400359} O2 4596 -1 14 {} Si 0.0 {0.713212 0.573611 0.384905} Si3 4597 -1 7 {} N 0.0 {0.726474 0.571253 0.369834} N1 4598 -1 14 {} Si 0.0 {0.740462 0.577876 0.382423} Si4 4599 -1 14 {} Si 0.0 {0.738019 0.57684 0.359816} Si5 4600 -1 7 {} N 0.0 {0.753663 0.568033 0.384779} N2 4601 -1 7 {} N 0.0 {0.452958 0.48934 0.245587} N3 4602 -1 7 {} N 0.0 {0.428662 0.635135 0.246366} N4 4603 -1 7 {} N 0.0 {0.748409 0.566364 0.351929} N5 4604 -1 7 {} N 0.0 {0.72889 0.590495 0.346269} N6 4605 -1 7 {} N 0.0 {0.691068 0.590267 0.346632} N7 4606 -1 8 {} O 0.0 {0.377827 0.611066 0.242573} O3 4607 -1 6 {} C 0.0 {0.398053 0.5822 0.252881} C1 4608 -1 8 {} O 0.0 {0.384658 0.551808 0.2869} O4 4609 -1 7 {} N 0.0 {0.6976 0.581549 0.376297} N8 4610 -1 8 {} O 0.0 {0.710839 0.556735 0.386318} O5 4611 -1 1 {} H 0.0 {0.439581 0.651632 0.276498} H1 4612 -1 1 {} H 0.0 {0.428639 0.522948 0.337743} H2 4613 -1 1 {} H 0.0 {0.644325 0.233069 0.55132} H3 4614 -1 1 {} H 0.0 {0.754936 0.560424 0.377307} H4 4615 -1 1 {} H 0.0 {0.70094 0.592664 0.348715} H5 4616 -1 1 {} H 0.0 {0.446028 0.495161 0.24066} H6 4617 -1 1 {} H 0.0 {0.438099 0.634054 0.251822} H7 4618 -1 1 {} H 0.0 {0.42462 0.643414 0.25063} H8 4619 -1 1 {} H 0.0 {0.752099 0.558559 0.358196} H9 4620 -1 1 {} H 0.0 {0.744747 0.562573 0.343153} H10 4621 -1 1 {} H 0.0 {0.720133 0.591367 0.351589} H11 4622 -1 1 {} H 0.0 {0.72556 0.58585 0.337778} H12 4623 -1 1 {} H 0.0 {0.686706 0.587885 0.355726} H13 4624 -1 1 {} H 0.0 {0.690307 0.580665 0.342243} H14 4625 -1 1 {} H 0.0 {0.37786 0.607258 0.233577} H15 4626 -1 1 {} H 0.0 {0.400949 0.5813 0.263184} H16 4627 -1 1 {} H 0.0 {0.405569 0.579141 0.246057} H17 4628 -1 1 {} H 0.0 {0.38945 0.576656 0.250594} H18 4629 -1 1 {} H 0.0 {0.375894 0.546662 0.285477} H19 4630 -1 1 {} H 0.0 {0.696414 0.576788 0.367348} H20 4631 -1 1 {} H 0.0 {0.690203 0.577155 0.382114} H21 4632 -1 1 {} H 0.0 {0.701957 0.555169 0.388573} H22 4633 -1 14 {} Si 0.0 {0.638544 0.505071 0.638259} Si1 4634 -1 8 {} O 0.0 {0.634908 0.512012 0.652939} O1 4635 -1 14 {} Si 0.0 {0.294652 0.54721 0.559185} Si2 4636 -1 8 {} O 0.0 {0.300296 0.535707 0.569694} O2 4637 -1 14 {} Si 0.0 {0.568986 0.495196 0.733724} Si3 4638 -1 7 {} N 0.0 {0.34264 0.477389 0.555654} N1 4639 -1 14 {} Si 0.0 {0.3073 0.534524 0.584113} Si4 4640 -1 14 {} Si 0.0 {0.322504 0.476443 0.556775} Si5 4641 -1 7 {} N 0.0 {0.549564 0.5397 0.660521} N2 4642 -1 7 {} N 0.0 {0.339827 0.282447 0.38894} N3 4643 -1 7 {} N 0.0 {0.621694 0.487178 0.710406} N4 4644 -1 7 {} N 0.0 {0.332173 0.41377 0.687693} N5 4645 -1 7 {} N 0.0 {0.317425 0.491984 0.550643} N6 4646 -1 7 {} N 0.0 {0.314848 0.473722 0.571807} N7 4647 -1 8 {} O 0.0 {0.643095 0.518101 0.630641} O3 4648 -1 6 {} C 0.0 {0.646409 0.489878 0.63766} C1 4649 -1 8 {} O 0.0 {0.596085 0.55426 0.677894} O4 4650 -1 7 {} N 0.0 {0.38511 0.559483 0.618632} N8 4651 -1 8 {} O 0.0 {0.557015 0.492133 0.744127} O5 4652 -1 1 {} H 0.0 {0.284639 0.555402 0.568717} H1 4653 -1 1 {} H 0.0 {0.30578 0.557591 0.557735} H2 4654 -1 1 {} H 0.0 {0.553381 0.54156 0.651491} H3 4655 -1 1 {} H 0.0 {0.545827 0.54931 0.663464} H4 4656 -1 1 {} H 0.0 {0.345724 0.27678 0.383263} H5 4657 -1 1 {} H 0.0 {0.337854 0.290453 0.381911} H6 4658 -1 1 {} H 0.0 {0.520502 0.464751 0.730701} H7 4659 -1 1 {} H 0.0 {0.382337 0.684546 0.419798} H8 4660 -1 1 {} H 0.0 {0.34166 0.417759 0.687817} H9 4661 -1 1 {} H 0.0 {0.332205 0.405686 0.681394} H10 4662 -1 1 {} H 0.0 {0.314605 0.489363 0.541003} H11 4663 -1 1 {} H 0.0 {0.310914 0.499547 0.554055} H12 4664 -1 1 {} H 0.0 {0.321537 0.478652 0.577845} H13 4665 -1 1 {} H 0.0 {0.306397 0.480145 0.570422} H14 4666 -1 1 {} H 0.0 {0.646534 0.524445 0.636209} H15 4667 -1 1 {} H 0.0 {0.651422 0.487787 0.646541} H16 4668 -1 1 {} H 0.0 {0.568485 0.526935 0.668286} H17 4669 -1 1 {} H 0.0 {0.653934 0.490884 0.630041} H18 4670 -1 1 {} H 0.0 {0.625226 0.511241 0.653275} H19 4671 -1 1 {} H 0.0 {0.383277 0.567429 0.624423} H20 4672 -1 1 {} H 0.0 {0.255474 0.383514 0.61566} H21 4673 -1 1 {} H 0.0 {0.551647 0.485685 0.740103} H22 4674 -1 14 {} Si 0.0 {0.458275 0.542053 0.651382} Si1 4675 -1 8 {} O 0.0 {0.458399 0.526988 0.647465} O1 4676 -1 14 {} Si 0.0 {0.45112 0.514407 0.652916} Si2 4677 -1 8 {} O 0.0 {0.459797 0.513427 0.666391} O2 4678 -1 14 {} Si 0.0 {0.46179 0.510413 0.682144} Si3 4679 -1 7 {} N 0.0 {0.448267 0.507736 0.691388} N1 4680 -1 14 {} Si 0.0 {0.43564 0.500129 0.697894} Si4 4681 -1 14 {} Si 0.0 {0.315574 0.666875 0.540106} Si5 4682 -1 7 {} N 0.0 {0.419933 0.50494 0.690674} N2 4683 -1 7 {} N 0.0 {0.434817 0.502065 0.71613} N3 4684 -1 7 {} N 0.0 {0.437573 0.479338 0.693224} N4 4685 -1 7 {} N 0.0 {0.53279 0.358126 0.3559} N5 4686 -1 7 {} N 0.0 {0.316111 0.662302 0.555292} N6 4687 -1 7 {} N 0.0 {0.260532 0.644109 0.561018} N7 4688 -1 8 {} O 0.0 {0.470852 0.548751 0.635489} O3 4689 -1 6 {} C 0.0 {0.461116 0.546082 0.669568} C1 4690 -1 8 {} O 0.0 {0.444676 0.54569 0.643292} O4 4691 -1 7 {} N 0.0 {0.675969 0.432585 0.405893} N8 4692 -1 8 {} O 0.0 {0.470586 0.523828 0.68475} O5 4693 -1 1 {} H 0.0 {0.45027 0.506426 0.626661} H1 4694 -1 1 {} H 0.0 {0.262102 0.653935 0.558294} H2 4695 -1 1 {} H 0.0 {0.412064 0.499213 0.694462} H3 4696 -1 1 {} H 0.0 {0.419696 0.501413 0.68048} H4 4697 -1 1 {} H 0.0 {0.441084 0.510305 0.71796} H5 4698 -1 1 {} H 0.0 {0.425659 0.505636 0.717688} H6 4699 -1 1 {} H 0.0 {0.438055 0.476941 0.682949} H7 4700 -1 1 {} H 0.0 {0.429827 0.475063 0.698331} H8 4701 -1 1 {} H 0.0 {0.53067 0.367956 0.354101} H9 4702 -1 1 {} H 0.0 {0.540966 0.355894 0.361921} H10 4703 -1 1 {} H 0.0 {0.323863 0.656585 0.558627} H11 4704 -1 1 {} H 0.0 {0.528333 0.393017 0.302844} H12 4705 -1 1 {} H 0.0 {0.614855 0.376664 0.354062} H13 4706 -1 1 {} H 0.0 {0.26163 0.643856 0.571249} H14 4707 -1 1 {} H 0.0 {0.465235 0.555764 0.630601} H15 4708 -1 1 {} H 0.0 {0.45557 0.538012 0.67434} H16 4709 -1 1 {} H 0.0 {0.45787 0.55633 0.671395} H17 4710 -1 1 {} H 0.0 {0.471798 0.544273 0.67108} H18 4711 -1 1 {} H 0.0 {0.447047 0.54931 0.634942} H19 4712 -1 1 {} H 0.0 {0.680785 0.43242 0.396517} H20 4713 -1 1 {} H 0.0 {0.676454 0.442779 0.407586} H21 4714 -1 1 {} H 0.0 {0.478546 0.524185 0.679486} H22 4715 -1 14 {} Si 0.0 {0.505814 0.637913 0.305558} Si1 4716 -1 8 {} O 0.0 {0.492233 0.278529 0.444894} O1 4717 -1 14 {} Si 0.0 {0.513655 0.639977 0.330288} Si2 4718 -1 8 {} O 0.0 {0.433996 0.333186 0.474992} O2 4719 -1 14 {} Si 0.0 {0.448459 0.327851 0.471598} Si3 4720 -1 7 {} N 0.0 {0.501399 0.315643 0.483537} N1 4721 -1 14 {} Si 0.0 {0.492316 0.311967 0.470867} Si4 4722 -1 14 {} Si 0.0 {0.513618 0.30986 0.492932} Si5 4723 -1 7 {} N 0.0 {0.504501 0.599534 0.332892} N2 4724 -1 7 {} N 0.0 {0.710766 0.604777 0.393626} N3 4725 -1 7 {} N 0.0 {0.488093 0.296939 0.468077} N4 4726 -1 7 {} N 0.0 {0.520609 0.325187 0.50019} N5 4727 -1 7 {} N 0.0 {0.507056 0.298043 0.507172} N6 4728 -1 7 {} N 0.0 {0.52293 0.297221 0.479115} N7 4729 -1 8 {} O 0.0 {0.506757 0.6545 0.305261} O3 4730 -1 6 {} C 0.0 {0.492046 0.627969 0.303759} C1 4731 -1 8 {} O 0.0 {0.494679 0.669274 0.324788} O4 4732 -1 7 {} N 0.0 {0.460437 0.333104 0.482869} N8 4733 -1 8 {} O 0.0 {0.48736 0.600371 0.324444} O5 4734 -1 1 {} H 0.0 {0.504766 0.631511 0.337318} H1 4735 -1 1 {} H 0.0 {0.520137 0.652712 0.340468} H2 4736 -1 1 {} H 0.0 {0.51146 0.604522 0.327126} H3 4737 -1 1 {} H 0.0 {0.504014 0.605735 0.340685} H4 4738 -1 1 {} H 0.0 {0.707161 0.610227 0.401263} H5 4739 -1 1 {} H 0.0 {0.703686 0.604964 0.386046} H6 4740 -1 1 {} H 0.0 {0.482385 0.294753 0.460127} H7 4741 -1 1 {} H 0.0 {0.577388 0.61966 0.362735} H8 4742 -1 1 {} H 0.0 {0.517148 0.331796 0.492791} H9 4743 -1 1 {} H 0.0 {0.530562 0.322618 0.499049} H10 4744 -1 1 {} H 0.0 {0.497395 0.296128 0.503834} H11 4745 -1 1 {} H 0.0 {0.50524 0.306231 0.512772} H12 4746 -1 1 {} H 0.0 {0.522883 0.288824 0.485648} H13 4747 -1 1 {} H 0.0 {0.520938 0.30198 0.470833} H14 4748 -1 1 {} H 0.0 {0.488501 0.597432 0.315004} H15 4749 -1 1 {} H 0.0 {0.324805 0.330301 0.607274} H16 4750 -1 1 {} H 0.0 {0.713399 0.34495 0.449441} H17 4751 -1 1 {} H 0.0 {0.484671 0.62396 0.297733} H18 4752 -1 1 {} H 0.0 {0.485441 0.666485 0.323469} H19 4753 -1 1 {} H 0.0 {0.454407 0.338017 0.489376} H20 4754 -1 1 {} H 0.0 {0.463726 0.325075 0.488575} H21 4755 -1 1 {} H 0.0 {0.481069 0.592942 0.327409} H22 4756 -1 14 {} Si 0.0 {0.501448 0.70966 0.475959} Si1 4757 -1 8 {} O 0.0 {0.412093 0.68979 0.428856} O1 4758 -1 14 {} Si 0.0 {0.415159 0.693106 0.444827} Si2 4759 -1 8 {} O 0.0 {0.416419 0.673384 0.449954} O2 4760 -1 14 {} Si 0.0 {0.436706 0.674913 0.44568} Si3 4761 -1 7 {} N 0.0 {0.44644 0.68912 0.434728} N1 4762 -1 14 {} Si 0.0 {0.444227 0.70372 0.442058} Si4 4763 -1 14 {} Si 0.0 {0.45054 0.69018 0.418472} Si5 4764 -1 7 {} N 0.0 {0.425826 0.705461 0.448863} N2 4765 -1 7 {} N 0.0 {0.444893 0.721218 0.433647} N3 4766 -1 7 {} N 0.0 {0.456873 0.705968 0.456313} N4 4767 -1 7 {} N 0.0 {0.460887 0.673625 0.415439} N5 4768 -1 7 {} N 0.0 {0.433135 0.686021 0.40891} N6 4769 -1 7 {} N 0.0 {0.556054 0.647271 0.354042} N7 4770 -1 8 {} O 0.0 {0.506905 0.725464 0.475234} O3 4771 -1 6 {} C 0.0 {0.507082 0.698061 0.488447} C1 4772 -1 8 {} O 0.0 {0.487929 0.709138 0.469199} O4 4773 -1 7 {} N 0.0 {0.442203 0.659735 0.439541} N8 4774 -1 8 {} O 0.0 {0.438159 0.677628 0.461127} O5 4775 -1 1 {} H 0.0 {0.414274 0.66926 0.441352} H1 4776 -1 1 {} H 0.0 {0.402871 0.692816 0.426316} H2 4777 -1 1 {} H 0.0 {0.470391 0.752448 0.495705} H3 4778 -1 1 {} H 0.0 {0.386469 0.67859 0.458354} H4 4779 -1 1 {} H 0.0 {0.454302 0.723514 0.437103} H5 4780 -1 1 {} H 0.0 {0.439199 0.72547 0.440893} H6 4781 -1 1 {} H 0.0 {0.450344 0.703987 0.463313} H7 4782 -1 1 {} H 0.0 {0.462923 0.697798 0.453562} H8 4783 -1 1 {} H 0.0 {0.467611 0.674868 0.422442} H9 4784 -1 1 {} H 0.0 {0.454763 0.666851 0.419117} H10 4785 -1 1 {} H 0.0 {0.424742 0.690093 0.41413} H11 4786 -1 1 {} H 0.0 {0.431583 0.675648 0.409408} H12 4787 -1 1 {} H 0.0 {0.55895 0.639766 0.360781} H13 4788 -1 1 {} H 0.0 {0.545904 0.64766 0.355399} H14 4789 -1 1 {} H 0.0 {0.498923 0.730847 0.475129} H15 4790 -1 1 {} H 0.0 {0.517717 0.697253 0.486553} H16 4791 -1 1 {} H 0.0 {0.502174 0.688368 0.487841} H17 4792 -1 1 {} H 0.0 {0.346097 0.678641 0.493519} H18 4793 -1 1 {} H 0.0 {0.359257 0.679907 0.500198} H19 4794 -1 1 {} H 0.0 {0.435748 0.653469 0.435599} H20 4795 -1 1 {} H 0.0 {0.447595 0.653608 0.446155} H21 4796 -1 1 {} H 0.0 {0.437358 0.686768 0.464523} H22 4797 -1 14 {} Si 0.0 {0.527112 0.596684 0.398865} Si1 4798 -1 8 {} O 0.0 {0.511318 0.595399 0.397658} O1 4799 -1 14 {} Si 0.0 {0.500615 0.596474 0.385914} Si2 4800 -1 8 {} O 0.0 {0.47588 0.590549 0.387445} O2 4801 -1 14 {} Si 0.0 {0.481664 0.592102 0.401418} Si3 4802 -1 7 {} N 0.0 {0.479317 0.600669 0.414407} N1 4803 -1 14 {} Si 0.0 {0.470151 0.611841 0.42169} Si4 4804 -1 14 {} Si 0.0 {0.464202 0.653337 0.360169} Si5 4805 -1 7 {} N 0.0 {0.471959 0.65438 0.374274} N2 4806 -1 7 {} N 0.0 {0.477164 0.617628 0.436669} N3 4807 -1 7 {} N 0.0 {0.46913 0.628302 0.412711} N4 4808 -1 7 {} N 0.0 {0.581692 0.655141 0.690751} N5 4809 -1 7 {} N 0.0 {0.528496 0.631783 0.33208} N6 4810 -1 7 {} N 0.0 {0.464613 0.669799 0.350038} N7 4811 -1 8 {} O 0.0 {0.532106 0.584195 0.390467} O3 4812 -1 6 {} C 0.0 {0.535539 0.609937 0.405168} C1 4813 -1 8 {} O 0.0 {0.590235 0.545784 0.496297} O4 4814 -1 7 {} N 0.0 {0.481104 0.571215 0.406582} N8 4815 -1 8 {} O 0.0 {0.507297 0.571728 0.330441} O5 4816 -1 1 {} H 0.0 {0.480088 0.571141 0.33053} H1 4817 -1 1 {} H 0.0 {0.499988 0.609208 0.381528} H2 4818 -1 1 {} H 0.0 {0.424835 0.635311 0.223807} H3 4819 -1 1 {} H 0.0 {0.481287 0.657202 0.373856} H4 4820 -1 1 {} H 0.0 {0.486993 0.615289 0.434344} H5 4821 -1 1 {} H 0.0 {0.476186 0.627595 0.437055} H6 4822 -1 1 {} H 0.0 {0.465281 0.636093 0.418271} H7 4823 -1 1 {} H 0.0 {0.461338 0.626078 0.406852} H8 4824 -1 1 {} H 0.0 {0.404702 0.651869 0.387262} H9 4825 -1 1 {} H 0.0 {0.580958 0.64485 0.68774} H10 4826 -1 1 {} H 0.0 {0.534342 0.639359 0.334914} H11 4827 -1 1 {} H 0.0 {0.532251 0.626842 0.323815} H12 4828 -1 1 {} H 0.0 {0.474867 0.670433 0.350152} H13 4829 -1 1 {} H 0.0 {0.410469 0.556718 0.369133} H14 4830 -1 1 {} H 0.0 {0.532895 0.57547 0.396063} H15 4831 -1 1 {} H 0.0 {0.52947 0.617928 0.401778} H16 4832 -1 1 {} H 0.0 {0.536017 0.609503 0.416162} H17 4833 -1 1 {} H 0.0 {0.510029 0.6412 0.426221} H18 4834 -1 1 {} H 0.0 {0.588159 0.548738 0.505772} H19 4835 -1 1 {} H 0.0 {0.490175 0.571696 0.411288} H20 4836 -1 1 {} H 0.0 {0.48366 0.568949 0.397283} H21 4837 -1 1 {} H 0.0 {0.477691 0.644248 0.352473} H22 4838 -1 14 {} Si 0.0 {0.370817 0.286254 0.413187} Si1 4839 -1 8 {} O 0.0 {0.430755 0.473549 0.283021} O1 4840 -1 14 {} Si 0.0 {0.440486 0.482604 0.258886} Si2 4841 -1 8 {} O 0.0 {0.416284 0.490831 0.250173} O2 4842 -1 14 {} Si 0.0 {0.422904 0.440834 0.318617} Si3 4843 -1 7 {} N 0.0 {0.432421 0.329902 0.360168} N1 4844 -1 14 {} Si 0.0 {0.433605 0.320817 0.347437} Si4 4845 -1 14 {} Si 0.0 {0.418775 0.338331 0.362367} Si5 4846 -1 7 {} N 0.0 {0.442503 0.405534 0.320748} N2 4847 -1 7 {} N 0.0 {0.448731 0.325378 0.338826} N3 4848 -1 7 {} N 0.0 {0.462083 0.600561 0.668212} N4 4849 -1 7 {} N 0.0 {0.422966 0.358196 0.362991} N5 4850 -1 7 {} N 0.0 {0.405681 0.335373 0.346887} N6 4851 -1 7 {} N 0.0 {0.678254 0.607138 0.387817} N7 4852 -1 8 {} O 0.0 {0.363178 0.357767 0.380848} O3 4853 -1 6 {} C 0.0 {0.285643 0.623961 0.550207} C1 4854 -1 8 {} O 0.0 {0.386958 0.596913 0.277493} O4 4855 -1 7 {} N 0.0 {0.40787 0.440689 0.325181} N8 4856 -1 8 {} O 0.0 {0.451485 0.426922 0.359749} O5 4857 -1 1 {} H 0.0 {0.395349 0.439094 0.558606} H1 4858 -1 1 {} H 0.0 {0.402646 0.437728 0.556796} H2 4859 -1 1 {} H 0.0 {0.434056 0.401666 0.315621} H3 4860 -1 1 {} H 0.0 {0.445748 0.398196 0.326893} H4 4861 -1 1 {} H 0.0 {0.453219 0.316036 0.337556} H5 4862 -1 1 {} H 0.0 {0.45324 0.331507 0.345538} H6 4863 -1 1 {} H 0.0 {0.470699 0.605659 0.664751} H7 4864 -1 1 {} H 0.0 {0.456606 0.607498 0.674053} H8 4865 -1 1 {} H 0.0 {0.429965 0.35869 0.369904} H9 4866 -1 1 {} H 0.0 {0.414376 0.362404 0.367006} H10 4867 -1 1 {} H 0.0 {0.395884 0.33414 0.349263} H11 4868 -1 1 {} H 0.0 {0.406275 0.34392 0.341963} H12 4869 -1 1 {} H 0.0 {0.671228 0.601742 0.393164} H13 4870 -1 1 {} H 0.0 {0.684319 0.610825 0.395623} H14 4871 -1 1 {} H 0.0 {0.391149 0.54649 0.26996} H15 4872 -1 1 {} H 0.0 {0.654499 0.581035 0.396305} H16 4873 -1 1 {} H 0.0 {0.551415 0.532137 0.703938} H17 4874 -1 1 {} H 0.0 {0.466367 0.689145 0.392133} H18 4875 -1 1 {} H 0.0 {0.39457 0.594767 0.283413} H19 4876 -1 1 {} H 0.0 {0.505077 0.341063 0.641713} H20 4877 -1 1 {} H 0.0 {0.438453 0.405377 0.594891} H21 4878 -1 1 {} H 0.0 {0.451575 0.435997 0.363894} H22 4879 -1 14 {} Si 0.0 {0.590733 0.430827 0.711549} Si1 4880 -1 8 {} O 0.0 {0.594284 0.446151 0.710839} O1 4881 -1 14 {} Si 0.0 {0.587448 0.460396 0.71007} Si2 4882 -1 8 {} O 0.0 {0.582075 0.459067 0.694918} O2 4883 -1 14 {} Si 0.0 {0.585038 0.461856 0.679816} Si3 4884 -1 7 {} N 0.0 {0.591529 0.449893 0.671455} N1 4885 -1 14 {} Si 0.0 {0.60847 0.44856 0.669383} Si4 4886 -1 14 {} Si 0.0 {0.581585 0.439365 0.662868} Si5 4887 -1 7 {} N 0.0 {0.616329 0.465895 0.669331} N2 4888 -1 7 {} N 0.0 {0.615055 0.44202 0.652415} N3 4889 -1 7 {} N 0.0 {0.614789 0.437068 0.683848} N4 4890 -1 7 {} N 0.0 {0.5632 0.433593 0.668314} N5 4891 -1 7 {} N 0.0 {0.579798 0.443969 0.644284} N6 4892 -1 7 {} N 0.0 {0.590334 0.422136 0.663157} N7 4893 -1 8 {} O 0.0 {0.580647 0.42534 0.722325} O3 4894 -1 6 {} C 0.0 {0.517094 0.422116 0.642099} C1 4895 -1 8 {} O 0.0 {0.654175 0.395585 0.585937} O4 4896 -1 7 {} N 0.0 {0.583638 0.478981 0.670232} N8 4897 -1 8 {} O 0.0 {0.501811 0.450414 0.657458} O5 4898 -1 1 {} H 0.0 {0.619636 0.472445 0.635092} H1 4899 -1 1 {} H 0.0 {0.602492 0.510086 0.715879} H2 4900 -1 1 {} H 0.0 {0.611166 0.470655 0.662409} H3 4901 -1 1 {} H 0.0 {0.625619 0.463887 0.665714} H4 4902 -1 1 {} H 0.0 {0.623761 0.446102 0.650341} H5 4903 -1 1 {} H 0.0 {0.608934 0.447877 0.646633} H6 4904 -1 1 {} H 0.0 {0.610143 0.440442 0.69206} H7 4905 -1 1 {} H 0.0 {0.60953 0.429111 0.680957} H8 4906 -1 1 {} H 0.0 {0.565935 0.425412 0.672657} H9 4907 -1 1 {} H 0.0 {0.560527 0.430608 0.659069} H10 4908 -1 1 {} H 0.0 {0.588468 0.449314 0.644715} H11 4909 -1 1 {} H 0.0 {0.572428 0.451044 0.644697} H12 4910 -1 1 {} H 0.0 {0.598224 0.425096 0.657731} H13 4911 -1 1 {} H 0.0 {0.593752 0.422083 0.672816} H14 4912 -1 1 {} H 0.0 {0.56588 0.30124 0.577736} H15 4913 -1 1 {} H 0.0 {0.513866 0.414673 0.63603} H16 4914 -1 1 {} H 0.0 {0.509225 0.424993 0.648689} H17 4915 -1 1 {} H 0.0 {0.584578 0.4367 0.692289} H18 4916 -1 1 {} H 0.0 {0.655563 0.405998 0.585294} H19 4917 -1 1 {} H 0.0 {0.577344 0.476452 0.662613} H20 4918 -1 1 {} H 0.0 {0.593425 0.479011 0.666766} H21 4919 -1 1 {} H 0.0 {0.498977 0.459075 0.660382} H22 4920 -1 14 {} Si 0.0 {0.709835 0.506061 0.440004} Si1 4921 -1 8 {} O 0.0 {0.673511 0.566091 0.426718} O1 4922 -1 14 {} Si 0.0 {0.680179 0.485029 0.458252} Si2 4923 -1 8 {} O 0.0 {0.673035 0.498348 0.463083} O2 4924 -1 14 {} Si 0.0 {0.68793 0.510395 0.505165} Si3 4925 -1 7 {} N 0.0 {0.693924 0.520661 0.494544} N1 4926 -1 14 {} Si 0.0 {0.703689 0.531569 0.4872} Si4 4927 -1 14 {} Si 0.0 {0.708441 0.490347 0.463189} Si5 4928 -1 7 {} N 0.0 {0.69675 0.53375 0.468522} N2 4929 -1 7 {} N 0.0 {0.674577 0.537683 0.595444} N3 4930 -1 7 {} N 0.0 {0.721438 0.524302 0.482852} N4 4931 -1 7 {} N 0.0 {0.715393 0.506843 0.4555} N5 4932 -1 7 {} N 0.0 {0.650232 0.491876 0.482238} N6 4933 -1 7 {} N 0.0 {0.71111 0.490524 0.481587} N7 4934 -1 8 {} O 0.0 {0.703695 0.494307 0.431331} O3 4935 -1 6 {} C 0.0 {0.683339 0.494296 0.346582} C1 4936 -1 8 {} O 0.0 {0.652412 0.542297 0.404408} O4 4937 -1 7 {} N 0.0 {0.68121 0.495873 0.493444} N8 4938 -1 8 {} O 0.0 {0.695492 0.505452 0.518476} O5 4939 -1 1 {} H 0.0 {0.6939 0.487305 0.460607} H1 4940 -1 1 {} H 0.0 {0.675906 0.478416 0.470167} H2 4941 -1 1 {} H 0.0 {0.689069 0.52772 0.470696} H3 4942 -1 1 {} H 0.0 {0.69411 0.543546 0.470463} H4 4943 -1 1 {} H 0.0 {0.569125 0.272806 0.390285} H5 4944 -1 1 {} H 0.0 {0.684526 0.536485 0.596309} H6 4945 -1 1 {} H 0.0 {0.718256 0.51744 0.4765} H7 4946 -1 1 {} H 0.0 {0.727513 0.529421 0.476079} H8 4947 -1 1 {} H 0.0 {0.709755 0.513955 0.461116} H9 4948 -1 1 {} H 0.0 {0.676499 0.561338 0.389346} H10 4949 -1 1 {} H 0.0 {0.656855 0.492551 0.474103} H11 4950 -1 1 {} H 0.0 {0.653595 0.484565 0.488397} H12 4951 -1 1 {} H 0.0 {0.704959 0.483383 0.485308} H13 4952 -1 1 {} H 0.0 {0.707982 0.499162 0.485675} H14 4953 -1 1 {} H 0.0 {0.694561 0.493404 0.434621} H15 4954 -1 1 {} H 0.0 {0.697126 0.516385 0.441304} H16 4955 -1 1 {} H 0.0 {0.676268 0.501872 0.47186} H17 4956 -1 1 {} H 0.0 {0.682144 0.487437 0.354363} H18 4957 -1 1 {} H 0.0 {0.677545 0.57488 0.429069} H19 4958 -1 1 {} H 0.0 {0.685026 0.487438 0.496703} H20 4959 -1 1 {} H 0.0 {0.671385 0.494748 0.495348} H21 4960 -1 1 {} H 0.0 {0.688591 0.505079 0.525374} H22 4961 -1 14 {} Si 0.0 {0.503207 0.50427 0.586271} Si1 4962 -1 8 {} O 0.0 {0.509012 0.489995 0.588055} O1 4963 -1 14 {} Si 0.0 {0.528299 0.467854 0.548141} Si2 4964 -1 8 {} O 0.0 {0.532442 0.451288 0.55484} O2 4965 -1 14 {} Si 0.0 {0.541458 0.450835 0.542005} Si3 4966 -1 7 {} N 0.0 {0.541983 0.471371 0.540304} N1 4967 -1 14 {} Si 0.0 {0.544631 0.479669 0.526576} Si4 4968 -1 14 {} Si 0.0 {0.550231 0.48027 0.556064} Si5 4969 -1 7 {} N 0.0 {0.552833 0.497192 0.529604} N2 4970 -1 7 {} N 0.0 {0.527777 0.484633 0.516883} N3 4971 -1 7 {} N 0.0 {0.554661 0.468429 0.515394} N4 4972 -1 7 {} N 0.0 {0.546071 0.498334 0.56171} N5 4973 -1 7 {} N 0.0 {0.546783 0.470456 0.570548} N6 4974 -1 7 {} N 0.0 {0.568238 0.476773 0.552608} N7 4975 -1 8 {} O 0.0 {0.503927 0.50328 0.570597} O3 4976 -1 6 {} C 0.0 {0.50854 0.518885 0.595143} C1 4977 -1 8 {} O 0.0 {0.48274 0.498188 0.589116} O4 4978 -1 7 {} N 0.0 {0.537403 0.442145 0.524958} N8 4979 -1 8 {} O 0.0 {0.531982 0.471962 0.598375} O5 4980 -1 1 {} H 0.0 {0.597469 0.475093 0.584686} H1 4981 -1 1 {} H 0.0 {0.542522 0.519551 0.648326} H2 4982 -1 1 {} H 0.0 {0.55653 0.496599 0.538947} H3 4983 -1 1 {} H 0.0 {0.545918 0.504375 0.52926} H4 4984 -1 1 {} H 0.0 {0.52483 0.47592 0.513174} H5 4985 -1 1 {} H 0.0 {0.531995 0.489565 0.509187} H6 4986 -1 1 {} H 0.0 {0.547761 0.465811 0.508027} H7 4987 -1 1 {} H 0.0 {0.554603 0.459757 0.521176} H8 4988 -1 1 {} H 0.0 {0.555554 0.501854 0.563558} H9 4989 -1 1 {} H 0.0 {0.542955 0.501763 0.552595} H10 4990 -1 1 {} H 0.0 {0.55599 0.467979 0.573826} H11 4991 -1 1 {} H 0.0 {0.541754 0.462172 0.567546} H12 4992 -1 1 {} H 0.0 {0.568 0.466857 0.553629} H13 4993 -1 1 {} H 0.0 {0.572682 0.480134 0.561609} H14 4994 -1 1 {} H 0.0 {0.498413 0.497661 0.565531} H15 4995 -1 1 {} H 0.0 {0.476243 0.47764 0.577952} H16 4996 -1 1 {} H 0.0 {0.518907 0.51961 0.593607} H17 4997 -1 1 {} H 0.0 {0.50241 0.527875 0.592757} H18 4998 -1 1 {} H 0.0 {0.483279 0.489174 0.586745} H19 4999 -1 1 {} H 0.0 {0.528378 0.445957 0.522689} H20 5000 -1 1 {} H 0.0 {0.53578 0.432205 0.527977} H21 5001 -1 1 {} H 0.0 {0.537189 0.474573 0.590459} H22 5002 -1 14 {} Si 0.0 {0.552502 0.598952 0.439579} Si1 5003 -1 8 {} O 0.0 {0.562629 0.606298 0.449111} O1 5004 -1 14 {} Si 0.0 {0.565841 0.61544 0.461233} Si2 5005 -1 8 {} O 0.0 {0.580729 0.620951 0.4582} O2 5006 -1 14 {} Si 0.0 {0.595962 0.622137 0.456724} Si3 5007 -1 7 {} N 0.0 {0.602978 0.634101 0.470108} N1 5008 -1 14 {} Si 0.0 {0.616842 0.630254 0.478378} Si4 5009 -1 14 {} Si 0.0 {0.596813 0.648495 0.474374} Si5 5010 -1 7 {} N 0.0 {0.612013 0.624814 0.497135} N2 5011 -1 7 {} N 0.0 {0.631746 0.642302 0.477918} N3 5012 -1 7 {} N 0.0 {0.626616 0.612799 0.471414} N4 5013 -1 7 {} N 0.0 {0.603152 0.661844 0.461522} N5 5014 -1 7 {} N 0.0 {0.577129 0.647624 0.472047} N6 5015 -1 7 {} N 0.0 {0.600143 0.655929 0.490676} N7 5016 -1 8 {} O 0.0 {0.539154 0.594743 0.454457} O3 5017 -1 6 {} C 0.0 {0.558134 0.587338 0.426101} C1 5018 -1 8 {} O 0.0 {0.545731 0.613118 0.434809} O4 5019 -1 7 {} N 0.0 {0.603702 0.629001 0.440906} N8 5020 -1 8 {} O 0.0 {0.599542 0.606734 0.456981} O5 5021 -1 1 {} H 0.0 {0.564734 0.606992 0.475051} H1 5022 -1 1 {} H 0.0 {0.55515 0.626874 0.461922} H2 5023 -1 1 {} H 0.0 {0.60932 0.632913 0.501841} H3 5024 -1 1 {} H 0.0 {0.621777 0.623789 0.500312} H4 5025 -1 1 {} H 0.0 {0.631311 0.644283 0.488145} H5 5026 -1 1 {} H 0.0 {0.638808 0.635665 0.475825} H6 5027 -1 1 {} H 0.0 {0.633804 0.616246 0.465097} H7 5028 -1 1 {} H 0.0 {0.61812 0.610462 0.465247} H8 5029 -1 1 {} H 0.0 {0.612768 0.662175 0.464219} H9 5030 -1 1 {} H 0.0 {0.602082 0.655266 0.453421} H10 5031 -1 1 {} H 0.0 {0.577246 0.638617 0.466701} H11 5032 -1 1 {} H 0.0 {0.576525 0.655513 0.466237} H12 5033 -1 1 {} H 0.0 {0.602108 0.665255 0.487159} H13 5034 -1 1 {} H 0.0 {0.609328 0.652205 0.493013} H14 5035 -1 1 {} H 0.0 {0.532014 0.589876 0.449318} H15 5036 -1 1 {} H 0.0 {0.553601 0.589466 0.417143} H16 5037 -1 1 {} H 0.0 {0.556608 0.577509 0.429788} H17 5038 -1 1 {} H 0.0 {0.568692 0.589301 0.425541} H18 5039 -1 1 {} H 0.0 {0.543161 0.617815 0.442496} H19 5040 -1 1 {} H 0.0 {0.607859 0.621861 0.435498} H20 5041 -1 1 {} H 0.0 {0.5953 0.631352 0.436223} H21 5042 -1 1 {} H 0.0 {0.576217 0.608362 0.408914} H22 5043 -1 14 {} Si 0.0 {0.541482 0.386282 0.466701} Si1 5044 -1 8 {} O 0.0 {0.563661 0.365015 0.445422} O1 5045 -1 14 {} Si 0.0 {0.558944 0.354306 0.456489} Si2 5046 -1 8 {} O 0.0 {0.557393 0.380571 0.428641} O2 5047 -1 14 {} Si 0.0 {0.557052 0.385521 0.414255} Si3 5048 -1 7 {} N 0.0 {0.543576 0.377032 0.403026} N1 5049 -1 14 {} Si 0.0 {0.540117 0.370398 0.389001} Si4 5050 -1 14 {} Si 0.0 {0.531065 0.375374 0.4128} Si5 5051 -1 7 {} N 0.0 {0.542176 0.383722 0.373422} N2 5052 -1 7 {} N 0.0 {0.553579 0.356696 0.384793} N3 5053 -1 7 {} N 0.0 {0.596679 0.352015 0.437038} N4 5054 -1 7 {} N 0.0 {0.531973 0.363029 0.427608} N5 5055 -1 7 {} N 0.0 {0.53805 0.490084 0.410365} N6 5056 -1 7 {} N 0.0 {0.518492 0.389457 0.415467} N7 5057 -1 8 {} O 0.0 {0.526587 0.383009 0.457079} O3 5058 -1 6 {} C 0.0 {0.561087 0.391758 0.456124} C1 5059 -1 8 {} O 0.0 {0.540883 0.372526 0.475068} O4 5060 -1 7 {} N 0.0 {0.575605 0.381624 0.40618} N8 5061 -1 8 {} O 0.0 {0.553337 0.400554 0.417245} O5 5062 -1 1 {} H 0.0 {0.549614 0.362521 0.465092} H1 5063 -1 1 {} H 0.0 {0.547799 0.345026 0.448455} H2 5064 -1 1 {} H 0.0 {0.537481 0.391654 0.376086} H3 5065 -1 1 {} H 0.0 {0.537331 0.381277 0.364838} H4 5066 -1 1 {} H 0.0 {0.555899 0.353278 0.393626} H5 5067 -1 1 {} H 0.0 {0.561857 0.36135 0.380593} H6 5068 -1 1 {} H 0.0 {0.603751 0.35952 0.439701} H7 5069 -1 1 {} H 0.0 {0.592108 0.355482 0.428117} H8 5070 -1 1 {} H 0.0 {0.541604 0.36525 0.430976} H9 5071 -1 1 {} H 0.0 {0.525495 0.367656 0.433987} H10 5072 -1 1 {} H 0.0 {0.539173 0.480881 0.415388} H11 5073 -1 1 {} H 0.0 {0.543475 0.489628 0.401865} H12 5074 -1 1 {} H 0.0 {0.511919 0.384377 0.42106} H13 5075 -1 1 {} H 0.0 {0.523928 0.396073 0.420954} H14 5076 -1 1 {} H 0.0 {0.519705 0.388586 0.46157} H15 5077 -1 1 {} H 0.0 {0.535955 0.480561 0.451859} H16 5078 -1 1 {} H 0.0 {0.559674 0.402096 0.452956} H17 5079 -1 1 {} H 0.0 {0.568204 0.390204 0.463373} H18 5080 -1 1 {} H 0.0 {0.545907 0.374326 0.483807} H19 5081 -1 1 {} H 0.0 {0.576499 0.371586 0.405533} H20 5082 -1 1 {} H 0.0 {0.583133 0.385344 0.412844} H21 5083 -1 1 {} H 0.0 {0.549053 0.402078 0.426397} H22 5084 -1 14 {} Si 0.0 {0.453154 0.629313 0.332795} Si1 5085 -1 8 {} O 0.0 {0.457231 0.636882 0.319016} O1 5086 -1 14 {} Si 0.0 {0.460904 0.649525 0.310235} Si2 5087 -1 8 {} O 0.0 {0.460712 0.644511 0.295123} O2 5088 -1 14 {} Si 0.0 {0.463364 0.634009 0.284273} Si3 5089 -1 7 {} N 0.0 {0.477915 0.634625 0.271858} N1 5090 -1 14 {} Si 0.0 {0.486166 0.648681 0.270159} Si4 5091 -1 14 {} Si 0.0 {0.480152 0.626098 0.257304} Si5 5092 -1 7 {} N 0.0 {0.481249 0.661833 0.283714} N2 5093 -1 7 {} N 0.0 {0.481042 0.657884 0.254339} N3 5094 -1 7 {} N 0.0 {0.504535 0.645131 0.272661} N4 5095 -1 7 {} N 0.0 {0.465256 0.62799 0.245789} N5 5096 -1 7 {} N 0.0 {0.496215 0.630637 0.247116} N6 5097 -1 7 {} N 0.0 {0.481876 0.607399 0.262082} N7 5098 -1 8 {} O 0.0 {0.445884 0.646171 0.341165} O3 5099 -1 6 {} C 0.0 {0.46671 0.61751 0.33999} C1 5100 -1 8 {} O 0.0 {0.439218 0.625267 0.325738} O4 5101 -1 7 {} N 0.0 {0.447709 0.63193 0.273444} N8 5102 -1 8 {} O 0.0 {0.464587 0.621123 0.294413} O5 5103 -1 1 {} H 0.0 {0.47979 0.656205 0.302644} H1 5104 -1 1 {} H 0.0 {0.450403 0.662733 0.310943} H2 5105 -1 1 {} H 0.0 {0.485298 0.669809 0.279542} H3 5106 -1 1 {} H 0.0 {0.47145 0.661569 0.2834} H4 5107 -1 1 {} H 0.0 {0.476212 0.665971 0.257499} H5 5108 -1 1 {} H 0.0 {0.473912 0.651382 0.252123} H6 5109 -1 1 {} H 0.0 {0.504254 0.634958 0.271225} H7 5110 -1 1 {} H 0.0 {0.505151 0.646955 0.282622} H8 5111 -1 1 {} H 0.0 {0.461409 0.618467 0.244438} H9 5112 -1 1 {} H 0.0 {0.469172 0.628876 0.236035} H10 5113 -1 1 {} H 0.0 {0.502521 0.626907 0.253669} H11 5114 -1 1 {} H 0.0 {0.496771 0.640526 0.248668} H12 5115 -1 1 {} H 0.0 {0.482683 0.609772 0.271481} H13 5116 -1 1 {} H 0.0 {0.472462 0.604625 0.2606} H14 5117 -1 1 {} H 0.0 {0.452419 0.652425 0.338997} H15 5118 -1 1 {} H 0.0 {0.469813 0.620617 0.349116} H16 5119 -1 1 {} H 0.0 {0.474023 0.618164 0.332829} H17 5120 -1 1 {} H 0.0 {0.462711 0.607901 0.33986} H18 5121 -1 1 {} H 0.0 {0.432214 0.632114 0.327576} H19 5122 -1 1 {} H 0.0 {0.442585 0.624125 0.276872} H20 5123 -1 1 {} H 0.0 {0.451815 0.629802 0.264833} H21 5124 -1 1 {} H 0.0 {0.461001 0.62409 0.303132} H22 5125 -1 14 {} Si 0.0 {0.457606 0.345734 0.594905} Si1 5126 -1 8 {} O 0.0 {0.441622 0.347092 0.567004} O1 5127 -1 14 {} Si 0.0 {0.450177 0.358905 0.572477} Si2 5128 -1 8 {} O 0.0 {0.463268 0.355289 0.564156} O2 5129 -1 14 {} Si 0.0 {0.467909 0.349137 0.550295} Si3 5130 -1 7 {} N 0.0 {0.482274 0.336708 0.548519} N1 5131 -1 14 {} Si 0.0 {0.4804 0.324302 0.534292} Si4 5132 -1 14 {} Si 0.0 {0.494964 0.333775 0.558067} Si5 5133 -1 7 {} N 0.0 {0.494247 0.318405 0.529448} N2 5134 -1 7 {} N 0.0 {0.470622 0.333472 0.520421} N3 5135 -1 7 {} N 0.0 {0.468712 0.309719 0.539771} N4 5136 -1 7 {} N 0.0 {0.510383 0.343865 0.553179} N5 5137 -1 7 {} N 0.0 {0.490555 0.340827 0.574936} N6 5138 -1 7 {} N 0.0 {0.50235 0.316831 0.559819} N7 5139 -1 8 {} O 0.0 {0.473258 0.350355 0.594173} O3 5140 -1 6 {} C 0.0 {0.44964 0.330051 0.596478} C1 5141 -1 8 {} O 0.0 {0.450837 0.360001 0.596466} O4 5142 -1 7 {} N 0.0 {0.47125 0.362932 0.536648} N8 5143 -1 8 {} O 0.0 {0.445405 0.317359 0.557839} O5 5144 -1 1 {} H 0.0 {0.41921 0.422765 0.447453} H1 5145 -1 1 {} H 0.0 {0.443991 0.371782 0.565078} H2 5146 -1 1 {} H 0.0 {0.506915 0.60141 0.478697} H3 5147 -1 1 {} H 0.0 {0.502118 0.324528 0.528386} H4 5148 -1 1 {} H 0.0 {0.478084 0.337248 0.514036} H5 5149 -1 1 {} H 0.0 {0.468362 0.341214 0.526712} H6 5150 -1 1 {} H 0.0 {0.462966 0.307665 0.531675} H7 5151 -1 1 {} H 0.0 {0.47493 0.301557 0.53899} H8 5152 -1 1 {} H 0.0 {0.514809 0.347004 0.561527} H9 5153 -1 1 {} H 0.0 {0.517069 0.336865 0.550141} H10 5154 -1 1 {} H 0.0 {0.492261 0.331684 0.579693} H11 5155 -1 1 {} H 0.0 {0.499359 0.346048 0.576552} H12 5156 -1 1 {} H 0.0 {0.509748 0.317328 0.552821} H13 5157 -1 1 {} H 0.0 {0.494373 0.31186 0.554389} H14 5158 -1 1 {} H 0.0 {0.476448 0.351022 0.584876} H15 5159 -1 1 {} H 0.0 {0.346364 0.4434 0.477308} H16 5160 -1 1 {} H 0.0 {0.454469 0.325784 0.60481} H17 5161 -1 1 {} H 0.0 {0.439354 0.331319 0.596095} H18 5162 -1 1 {} H 0.0 {0.454338 0.364412 0.604763} H19 5163 -1 1 {} H 0.0 {0.479778 0.360554 0.531404} H20 5164 -1 1 {} H 0.0 {0.475101 0.369918 0.542638} H21 5165 -1 1 {} H 0.0 {0.452817 0.316111 0.551482} H22 5166 -1 14 {} Si 0.0 {0.484546 0.588359 0.290493} Si1 5167 -1 8 {} O 0.0 {0.491887 0.578896 0.299907} O1 5168 -1 14 {} Si 0.0 {0.503786 0.569517 0.303658} Si2 5169 -1 8 {} O 0.0 {0.515845 0.578363 0.297773} O2 5170 -1 14 {} Si 0.0 {0.527664 0.58856 0.300276} Si3 5171 -1 7 {} N 0.0 {0.530944 0.603079 0.308624} N1 5172 -1 14 {} Si 0.0 {0.540659 0.619365 0.300733} Si4 5173 -1 14 {} Si 0.0 {0.566345 0.540393 0.29405} Si5 5174 -1 7 {} N 0.0 {0.553009 0.6207 0.315731} N2 5175 -1 7 {} N 0.0 {0.520992 0.624708 0.299588} N3 5176 -1 7 {} N 0.0 {0.542932 0.638657 0.300466} N4 5177 -1 7 {} N 0.0 {0.505633 0.510293 0.670291} N5 5178 -1 7 {} N 0.0 {0.563999 0.740266 0.549925} N6 5179 -1 7 {} N 0.0 {0.488269 0.548008 0.249958} N7 5180 -1 8 {} O 0.0 {0.493488 0.601146 0.295889} O3 5181 -1 6 {} C 0.0 {0.466319 0.590027 0.292161} C1 5182 -1 8 {} O 0.0 {0.495389 0.583283 0.273182} O4 5183 -1 7 {} N 0.0 {0.608314 0.572246 0.341057} N8 5184 -1 8 {} O 0.0 {0.538402 0.581054 0.291434} O5 5185 -1 1 {} H 0.0 {0.506942 0.529965 0.275547} H1 5186 -1 1 {} H 0.0 {0.504744 0.569918 0.320107} H2 5187 -1 1 {} H 0.0 {0.560607 0.614918 0.311854} H3 5188 -1 1 {} H 0.0 {0.556994 0.629706 0.312958} H4 5189 -1 1 {} H 0.0 {0.514761 0.615984 0.298575} H5 5190 -1 1 {} H 0.0 {0.520679 0.627361 0.289921} H6 5191 -1 1 {} H 0.0 {0.538212 0.639651 0.291113} H7 5192 -1 1 {} H 0.0 {0.536406 0.641428 0.307368} H8 5193 -1 1 {} H 0.0 {0.573288 0.537821 0.283012} H9 5194 -1 1 {} H 0.0 {0.503698 0.500052 0.670911} H10 5195 -1 1 {} H 0.0 {0.56292 0.749055 0.545218} H11 5196 -1 1 {} H 0.0 {0.573123 0.739262 0.553897} H12 5197 -1 1 {} H 0.0 {0.495651 0.537131 0.268946} H13 5198 -1 1 {} H 0.0 {0.83375 0.979837 0.658491} H14 5199 -1 1 {} H 0.0 {0.501085 0.601537 0.290646} H15 5200 -1 1 {} H 0.0 {0.460632 0.587627 0.282714} H16 5201 -1 1 {} H 0.0 {0.464735 0.600619 0.29402} H17 5202 -1 1 {} H 0.0 {0.461437 0.584456 0.300453} H18 5203 -1 1 {} H 0.0 {0.491754 0.590486 0.266982} H19 5204 -1 1 {} H 0.0 {0.613501 0.563784 0.340364} H20 5205 -1 1 {} H 0.0 {0.613744 0.579639 0.345793} H21 5206 -1 1 {} H 0.0 {0.53742 0.584216 0.282384} H22 5207 -1 14 {} Si 0.0 {0.4818 0.71052 0.560079} Si1 5208 -1 8 {} O 0.0 {0.474997 0.724494 0.559158} O1 5209 -1 14 {} Si 0.0 {0.465474 0.733403 0.550199} Si2 5210 -1 8 {} O 0.0 {0.468152 0.730226 0.535044} O2 5211 -1 14 {} Si 0.0 {0.46927 0.732683 0.519164} Si3 5212 -1 7 {} N 0.0 {0.430824 0.681751 0.533045} N1 5213 -1 14 {} Si 0.0 {0.418865 0.683196 0.543852} Si4 5214 -1 14 {} Si 0.0 {0.446625 0.682919 0.534176} Si5 5215 -1 7 {} N 0.0 {0.420353 0.695899 0.559852} N2 5216 -1 7 {} N 0.0 {0.414531 0.665372 0.5498} N3 5217 -1 7 {} N 0.0 {0.405359 0.690671 0.536857} N4 5218 -1 7 {} N 0.0 {0.443773 0.623631 0.492579} N5 5219 -1 7 {} N 0.0 {0.453995 0.695319 0.525951} N6 5220 -1 7 {} N 0.0 {0.462071 0.60523 0.587023} N7 5221 -1 8 {} O 0.0 {0.359084 0.724304 0.47432} O3 5222 -1 6 {} C 0.0 {0.511279 0.706391 0.55911} C1 5223 -1 8 {} O 0.0 {0.496279 0.714392 0.563517} O4 5224 -1 7 {} N 0.0 {0.484122 0.732872 0.506226} N8 5225 -1 8 {} O 0.0 {0.458991 0.742205 0.519075} O5 5226 -1 1 {} H 0.0 {0.468134 0.746603 0.551961} H1 5227 -1 1 {} H 0.0 {0.448925 0.730543 0.553487} H2 5228 -1 1 {} H 0.0 {0.423186 0.688212 0.565947} H3 5229 -1 1 {} H 0.0 {0.410272 0.697774 0.561302} H4 5230 -1 1 {} H 0.0 {0.421654 0.660337 0.544547} H5 5231 -1 1 {} H 0.0 {0.406062 0.664032 0.545169} H6 5232 -1 1 {} H 0.0 {0.406408 0.691001 0.526553} H7 5233 -1 1 {} H 0.0 {0.397064 0.685159 0.538241} H8 5234 -1 1 {} H 0.0 {0.440923 0.625042 0.482435} H9 5235 -1 1 {} H 0.0 {0.45389 0.627837 0.492379} H10 5236 -1 1 {} H 0.0 {0.447469 0.668457 0.548949} H11 5237 -1 1 {} H 0.0 {0.463991 0.695384 0.528111} H12 5238 -1 1 {} H 0.0 {0.457667 0.603711 0.596067} H13 5239 -1 1 {} H 0.0 {0.470374 0.598877 0.587618} H14 5240 -1 1 {} H 0.0 {0.349128 0.723106 0.473928} H15 5241 -1 1 {} H 0.0 {0.5115 0.703309 0.548433} H16 5242 -1 1 {} H 0.0 {0.514717 0.698952 0.5662} H17 5243 -1 1 {} H 0.0 {0.518677 0.714217 0.560566} H18 5244 -1 1 {} H 0.0 {0.533299 0.744556 0.551554} H19 5245 -1 1 {} H 0.0 {0.489659 0.740233 0.51068} H20 5246 -1 1 {} H 0.0 {0.483188 0.735359 0.496531} H21 5247 -1 1 {} H 0.0 {0.656591 0.324927 0.555713} H22 5248 -1 14 {} Si 0.0 {0.642815 0.549333 0.649464} Si1 5249 -1 8 {} O 0.0 {0.660274 0.572675 0.644786} O1 5250 -1 14 {} Si 0.0 {0.660485 0.559293 0.635943} Si2 5251 -1 8 {} O 0.0 {0.291219 0.511227 0.496374} O2 5252 -1 14 {} Si 0.0 {0.662545 0.587819 0.645668} Si3 5253 -1 7 {} N 0.0 {0.280396 0.649259 0.453124} N1 5254 -1 14 {} Si 0.0 {0.276224 0.659566 0.464892} Si4 5255 -1 14 {} Si 0.0 {0.293053 0.639509 0.451756} Si5 5256 -1 7 {} N 0.0 {0.274988 0.651656 0.482962} N2 5257 -1 7 {} N 0.0 {0.257544 0.666543 0.463801} N3 5258 -1 7 {} N 0.0 {0.286659 0.675586 0.460366} N4 5259 -1 7 {} N 0.0 {0.28587 0.623077 0.447763} N5 5260 -1 7 {} N 0.0 {0.620496 0.599744 0.67197} N6 5261 -1 7 {} N 0.0 {0.302641 0.641105 0.46826} N7 5262 -1 8 {} O 0.0 {0.640079 0.54958 0.63394} O3 5263 -1 6 {} C 0.0 {0.638443 0.562404 0.661909} C1 5264 -1 8 {} O 0.0 {0.653037 0.537274 0.652464} O4 5265 -1 7 {} N 0.0 {0.661321 0.596075 0.658911} N8 5266 -1 8 {} O 0.0 {0.662216 0.592671 0.630738} O5 5267 -1 1 {} H 0.0 {0.665928 0.561543 0.621904} H1 5268 -1 1 {} H 0.0 {0.671757 0.550637 0.642287} H2 5269 -1 1 {} H 0.0 {0.269579 0.643604 0.48004} H3 5270 -1 1 {} H 0.0 {0.267884 0.657881 0.487699} H4 5271 -1 1 {} H 0.0 {0.253685 0.662565 0.472156} H5 5272 -1 1 {} H 0.0 {0.254991 0.660645 0.456467} H6 5273 -1 1 {} H 0.0 {0.29017 0.671281 0.451861} H7 5274 -1 1 {} H 0.0 {0.278615 0.681104 0.457686} H8 5275 -1 1 {} H 0.0 {0.27582 0.626144 0.445586} H9 5276 -1 1 {} H 0.0 {0.290617 0.622059 0.439153} H10 5277 -1 1 {} H 0.0 {0.378126 0.641604 0.610264} H11 5278 -1 1 {} H 0.0 {0.610935 0.599166 0.668875} H12 5279 -1 1 {} H 0.0 {0.303889 0.631534 0.471482} H13 5280 -1 1 {} H 0.0 {0.29538 0.645409 0.473625} H14 5281 -1 1 {} H 0.0 {0.62227 0.593814 0.679813} H15 5282 -1 1 {} H 0.0 {0.632124 0.558123 0.66932} H16 5283 -1 1 {} H 0.0 {0.632366 0.569693 0.65661} H17 5284 -1 1 {} H 0.0 {0.646928 0.566823 0.666965} H18 5285 -1 1 {} H 0.0 {0.298221 0.512611 0.489571} H19 5286 -1 1 {} H 0.0 {0.664495 0.605389 0.660877} H20 5287 -1 1 {} H 0.0 {0.678946 0.488751 0.378092} H21 5288 -1 1 {} H 0.0 {0.654649 0.588188 0.624956} H22 5289 -1 14 {} Si 0.0 {0.516769 0.571034 0.365887} Si1 5290 -1 8 {} O 0.0 {0.513728 0.556808 0.371192} O1 5291 -1 14 {} Si 0.0 {0.51238 0.541801 0.375688} Si2 5292 -1 8 {} O 0.0 {0.518877 0.542478 0.389552} O2 5293 -1 14 {} Si 0.0 {0.523792 0.552095 0.400844} Si3 5294 -1 7 {} N 0.0 {0.52764 0.539914 0.415781} N1 5295 -1 14 {} Si 0.0 {0.516894 0.529418 0.422288} Si4 5296 -1 14 {} Si 0.0 {0.543397 0.537747 0.419377} Si5 5297 -1 7 {} N 0.0 {0.503214 0.539898 0.431905} N2 5298 -1 7 {} N 0.0 {0.52363 0.517681 0.436326} N3 5299 -1 7 {} N 0.0 {0.508876 0.519449 0.408275} N4 5300 -1 7 {} N 0.0 {0.545109 0.539258 0.43921} N5 5301 -1 7 {} N 0.0 {0.547237 0.520179 0.41317} N6 5302 -1 7 {} N 0.0 {0.556631 0.551812 0.415261} N7 5303 -1 8 {} O 0.0 {0.480135 0.586095 0.350005} O3 5304 -1 6 {} C 0.0 {0.529486 0.575265 0.351995} C1 5305 -1 8 {} O 0.0 {0.502133 0.576507 0.36575} O4 5306 -1 7 {} N 0.0 {0.513182 0.566671 0.407878} N8 5307 -1 8 {} O 0.0 {0.536995 0.555712 0.3932} O5 5308 -1 1 {} H 0.0 {0.522948 0.533654 0.366888} H1 5309 -1 1 {} H 0.0 {0.469487 0.582362 0.38667} H2 5310 -1 1 {} H 0.0 {0.500922 0.547178 0.425258} H3 5311 -1 1 {} H 0.0 {0.509226 0.544943 0.438006} H4 5312 -1 1 {} H 0.0 {0.533728 0.51966 0.437462} H5 5313 -1 1 {} H 0.0 {0.519587 0.521272 0.444955} H6 5314 -1 1 {} H 0.0 {0.516435 0.512687 0.405242} H7 5315 -1 1 {} H 0.0 {0.508946 0.526037 0.400793} H8 5316 -1 1 {} H 0.0 {0.535016 0.541122 0.44088} H9 5317 -1 1 {} H 0.0 {0.548975 0.548682 0.43964} H10 5318 -1 1 {} H 0.0 {0.554211 0.51504 0.418434} H11 5319 -1 1 {} H 0.0 {0.53799 0.516503 0.415167} H12 5320 -1 1 {} H 0.0 {0.566367 0.549419 0.415428} H13 5321 -1 1 {} H 0.0 {0.553677 0.552886 0.405434} H14 5322 -1 1 {} H 0.0 {0.487382 0.580858 0.354505} H15 5323 -1 1 {} H 0.0 {0.527185 0.584386 0.347103} H16 5324 -1 1 {} H 0.0 {0.530213 0.568917 0.343193} H17 5325 -1 1 {} H 0.0 {0.538892 0.576432 0.356063} H18 5326 -1 1 {} H 0.0 {0.501159 0.584179 0.37315} H19 5327 -1 1 {} H 0.0 {0.514793 0.575766 0.40428} H20 5328 -1 1 {} H 0.0 {0.504196 0.56349 0.40442} H21 5329 -1 1 {} H 0.0 {0.5239 0.577547 0.378391} H22 5330 -1 14 {} Si 0.0 {0.608482 0.342754 0.368993} Si1 5331 -1 8 {} O 0.0 {0.607633 0.340989 0.353268} O1 5332 -1 14 {} Si 0.0 {0.605819 0.347417 0.339444} Si2 5333 -1 8 {} O 0.0 {0.590201 0.349285 0.339195} O2 5334 -1 14 {} Si 0.0 {0.577834 0.34854 0.32908} Si3 5335 -1 7 {} N 0.0 {0.581518 0.351979 0.312684} N1 5336 -1 14 {} Si 0.0 {0.601507 0.354052 0.310038} Si4 5337 -1 14 {} Si 0.0 {0.571229 0.355088 0.300095} Si5 5338 -1 7 {} N 0.0 {0.612887 0.347793 0.324706} N2 5339 -1 7 {} N 0.0 {0.602409 0.373596 0.307584} N3 5340 -1 7 {} N 0.0 {0.606818 0.346899 0.297013} N4 5341 -1 7 {} N 0.0 {0.576883 0.346202 0.285906} N5 5342 -1 7 {} N 0.0 {0.554155 0.352694 0.305216} N6 5343 -1 7 {} N 0.0 {0.573176 0.37424 0.296521} N7 5344 -1 8 {} O 0.0 {0.588863 0.350232 0.372609} O3 5345 -1 6 {} C 0.0 {0.621457 0.344886 0.378883} C1 5346 -1 8 {} O 0.0 {0.605168 0.312386 0.348725} O4 5347 -1 7 {} N 0.0 {0.564517 0.361483 0.332907} N8 5348 -1 8 {} O 0.0 {0.573163 0.333736 0.333077} O5 5349 -1 1 {} H 0.0 {0.613301 0.308274 0.351624} H1 5350 -1 1 {} H 0.0 {0.613494 0.363801 0.343219} H2 5351 -1 1 {} H 0.0 {0.612578 0.337664 0.322024} H3 5352 -1 1 {} H 0.0 {0.574928 0.411649 0.687568} H4 5353 -1 1 {} H 0.0 {0.608349 0.37582 0.299318} H5 5354 -1 1 {} H 0.0 {0.607067 0.377789 0.316215} H6 5355 -1 1 {} H 0.0 {0.447016 0.476587 0.697645} H7 5356 -1 1 {} H 0.0 {0.608455 0.349263 0.286266} H8 5357 -1 1 {} H 0.0 {0.571452 0.338094 0.286568} H9 5358 -1 1 {} H 0.0 {0.586353 0.342711 0.288325} H10 5359 -1 1 {} H 0.0 {0.553805 0.350015 0.314949} H11 5360 -1 1 {} H 0.0 {0.552242 0.34389 0.30056} H12 5361 -1 1 {} H 0.0 {0.564829 0.378722 0.299744} H13 5362 -1 1 {} H 0.0 {0.5746 0.373548 0.286097} H14 5363 -1 1 {} H 0.0 {0.581852 0.345122 0.368228} H15 5364 -1 1 {} H 0.0 {0.63413 0.318613 0.366897} H16 5365 -1 1 {} H 0.0 {0.629067 0.337563 0.37922} H17 5366 -1 1 {} H 0.0 {0.620678 0.352028 0.385743} H18 5367 -1 1 {} H 0.0 {0.608777 0.320967 0.345903} H19 5368 -1 1 {} H 0.0 {0.57064 0.370139 0.334025} H20 5369 -1 1 {} H 0.0 {0.561709 0.358728 0.342103} H21 5370 -1 1 {} H 0.0 {0.571515 0.333996 0.342646} H22 5371 -1 14 {} Si 0.0 {0.658027 0.486421 0.32631} Si1 5372 -1 8 {} O 0.0 {0.699518 0.498879 0.340546} O1 5373 -1 14 {} Si 0.0 {0.684351 0.509742 0.352769} Si2 5374 -1 8 {} O 0.0 {0.694048 0.515945 0.362518} O2 5375 -1 14 {} Si 0.0 {0.698229 0.51579 0.377404} Si3 5376 -1 7 {} N 0.0 {0.660793 0.520786 0.42741} N1 5377 -1 14 {} Si 0.0 {0.660843 0.530651 0.411149} Si4 5378 -1 14 {} Si 0.0 {0.711884 0.567094 0.324022} Si5 5379 -1 7 {} N 0.0 {0.682462 0.557869 0.39648} N2 5380 -1 7 {} N 0.0 {0.644554 0.272064 0.400018} N3 5381 -1 7 {} N 0.0 {0.707396 0.562399 0.476741} N4 5382 -1 7 {} N 0.0 {0.71316 0.564603 0.340554} N5 5383 -1 7 {} N 0.0 {0.688819 0.552612 0.358661} N6 5384 -1 7 {} N 0.0 {0.695401 0.570277 0.317807} N7 5385 -1 8 {} O 0.0 {0.671078 0.498515 0.334646} O3 5386 -1 6 {} C 0.0 {0.647404 0.474489 0.330827} C1 5387 -1 8 {} O 0.0 {0.666071 0.488674 0.313286} O4 5388 -1 7 {} N 0.0 {0.693028 0.532281 0.386462} N8 5389 -1 8 {} O 0.0 {0.6918 0.502032 0.381002} O5 5390 -1 1 {} H 0.0 {0.652485 0.267925 0.405283} H1 5391 -1 1 {} H 0.0 {0.679277 0.522937 0.343133} H2 5392 -1 1 {} H 0.0 {0.650883 0.500867 0.487426} H3 5393 -1 1 {} H 0.0 {0.68003 0.563889 0.418354} H4 5394 -1 1 {} H 0.0 {0.639199 0.277254 0.407076} H5 5395 -1 1 {} H 0.0 {0.515893 0.410214 0.331552} H6 5396 -1 1 {} H 0.0 {0.660931 0.519729 0.391582} H7 5397 -1 1 {} H 0.0 {0.624114 0.528997 0.393624} H8 5398 -1 1 {} H 0.0 {0.719635 0.56896 0.346901} H9 5399 -1 1 {} H 0.0 {0.689946 0.562898 0.361083} H10 5400 -1 1 {} H 0.0 {0.696989 0.549604 0.353665} H11 5401 -1 1 {} H 0.0 {0.689411 0.547327 0.367523} H12 5402 -1 1 {} H 0.0 {0.693166 0.579506 0.322054} H13 5403 -1 1 {} H 0.0 {0.689504 0.562934 0.322016} H14 5404 -1 1 {} H 0.0 {0.676961 0.498272 0.326313} H15 5405 -1 1 {} H 0.0 {0.650554 0.464422 0.333277} H16 5406 -1 1 {} H 0.0 {0.628657 0.546515 0.262669} H17 5407 -1 1 {} H 0.0 {0.637582 0.476298 0.329016} H18 5408 -1 1 {} H 0.0 {0.638451 0.263581 0.397767} H19 5409 -1 1 {} H 0.0 {0.686161 0.535827 0.379086} H20 5410 -1 1 {} H 0.0 {0.700889 0.539003 0.386023} H21 5411 -1 1 {} H 0.0 {0.686699 0.503353 0.389015} H22 5412 -1 14 {} Si 0.0 {0.538161 0.276037 0.460287} Si1 5413 -1 8 {} O 0.0 {0.537322 0.289155 0.450417} O1 5414 -1 14 {} Si 0.0 {0.612985 0.540896 0.281741} Si2 5415 -1 8 {} O 0.0 {0.619286 0.532421 0.293039} O2 5416 -1 14 {} Si 0.0 {0.621768 0.531036 0.308362} Si3 5417 -1 7 {} N 0.0 {0.640096 0.532052 0.312911} N1 5418 -1 14 {} Si 0.0 {0.64035 0.512717 0.306946} Si4 5419 -1 14 {} Si 0.0 {0.652242 0.544774 0.303701} Si5 5420 -1 7 {} N 0.0 {0.652526 0.511261 0.297029} N2 5421 -1 7 {} N 0.0 {0.624411 0.503414 0.298021} N3 5422 -1 7 {} N 0.0 {0.643585 0.501408 0.323979} N4 5423 -1 7 {} N 0.0 {0.542552 0.270151 0.422304} N5 5424 -1 7 {} N 0.0 {0.643742 0.561524 0.305638} N6 5425 -1 7 {} N 0.0 {0.648584 0.541458 0.285169} N7 5426 -1 8 {} O 0.0 {0.547621 0.267238 0.45096} O3 5427 -1 6 {} C 0.0 {0.523804 0.268895 0.46629} C1 5428 -1 8 {} O 0.0 {0.553515 0.285914 0.472088} O4 5429 -1 7 {} N 0.0 {0.413507 0.664991 0.256015} N8 5430 -1 8 {} O 0.0 {0.607612 0.552032 0.291503} O5 5431 -1 1 {} H 0.0 {0.53833 0.285732 0.441386} H1 5432 -1 1 {} H 0.0 {0.600215 0.531188 0.274626} H2 5433 -1 1 {} H 0.0 {0.701715 0.625756 0.467534} H3 5434 -1 1 {} H 0.0 {0.658132 0.519585 0.297602} H4 5435 -1 1 {} H 0.0 {0.623291 0.493382 0.300506} H5 5436 -1 1 {} H 0.0 {0.625236 0.505153 0.288007} H6 5437 -1 1 {} H 0.0 {0.634405 0.496478 0.324815} H7 5438 -1 1 {} H 0.0 {0.645429 0.507454 0.332071} H8 5439 -1 1 {} H 0.0 {0.548325 0.263501 0.417051} H9 5440 -1 1 {} H 0.0 {0.544102 0.268244 0.4326} H10 5441 -1 1 {} H 0.0 {0.650485 0.567446 0.300482} H11 5442 -1 1 {} H 0.0 {0.643562 0.563694 0.315554} H12 5443 -1 1 {} H 0.0 {0.638452 0.540833 0.285581} H13 5444 -1 1 {} H 0.0 {0.651875 0.532236 0.285345} H14 5445 -1 1 {} H 0.0 {0.557287 0.2697 0.452232} H15 5446 -1 1 {} H 0.0 {0.710603 0.594677 0.397283} H16 5447 -1 1 {} H 0.0 {0.53744 0.379663 0.299694} H17 5448 -1 1 {} H 0.0 {0.514228 0.270159 0.469071} H18 5449 -1 1 {} H 0.0 {0.559165 0.290377 0.465065} H19 5450 -1 1 {} H 0.0 {0.418768 0.672168 0.250372} H20 5451 -1 1 {} H 0.0 {0.413909 0.656848 0.249635} H21 5452 -1 1 {} H 0.0 {0.599589 0.548152 0.296418} H22 5453 -1 14 {} Si 0.0 {0.675039 0.660993 0.56505} Si1 5454 -1 8 {} O 0.0 {0.589653 0.392445 0.65071} O1 5455 -1 14 {} Si 0.0 {0.587575 0.377929 0.656014} Si2 5456 -1 8 {} O 0.0 {0.59521 0.366684 0.647508} O2 5457 -1 14 {} Si 0.0 {0.595841 0.362037 0.632928} Si3 5458 -1 7 {} N 0.0 {0.592615 0.342945 0.633709} N1 5459 -1 14 {} Si 0.0 {0.594515 0.318095 0.627635} Si4 5460 -1 14 {} Si 0.0 {0.578089 0.336889 0.637377} Si5 5461 -1 7 {} N 0.0 {0.594578 0.30864 0.611489} N2 5462 -1 7 {} N 0.0 {0.606476 0.308296 0.639009} N3 5463 -1 7 {} N 0.0 {0.601603 0.332961 0.625818} N4 5464 -1 7 {} N 0.0 {0.575119 0.342842 0.656004} N5 5465 -1 7 {} N 0.0 {0.562905 0.345813 0.626592} N6 5466 -1 7 {} N 0.0 {0.575275 0.315834 0.634856} N7 5467 -1 8 {} O 0.0 {0.687593 0.666561 0.572179} O3 5468 -1 6 {} C 0.0 {0.658482 0.670355 0.561091} C1 5469 -1 8 {} O 0.0 {0.677012 0.646107 0.568675} O4 5470 -1 7 {} N 0.0 {0.612102 0.363404 0.622473} N8 5471 -1 8 {} O 0.0 {0.585741 0.373015 0.627777} O5 5472 -1 1 {} H 0.0 {0.571136 0.373965 0.655453} H1 5473 -1 1 {} H 0.0 {0.591261 0.377282 0.668366} H2 5474 -1 1 {} H 0.0 {0.603963 0.3046 0.613091} H3 5475 -1 1 {} H 0.0 {0.596262 0.316839 0.60547} H4 5476 -1 1 {} H 0.0 {0.6054 0.31296 0.647664} H5 5477 -1 1 {} H 0.0 {0.615799 0.311063 0.636184} H6 5478 -1 1 {} H 0.0 {0.598408 0.392276 0.60066} H7 5479 -1 1 {} H 0.0 {0.600917 0.334705 0.615854} H8 5480 -1 1 {} H 0.0 {0.571823 0.352327 0.65439} H9 5481 -1 1 {} H 0.0 {0.584642 0.34385 0.65965} H10 5482 -1 1 {} H 0.0 {0.564392 0.355642 0.628102} H11 5483 -1 1 {} H 0.0 {0.565869 0.344607 0.616515} H12 5484 -1 1 {} H 0.0 {0.579278 0.312243 0.643821} H13 5485 -1 1 {} H 0.0 {0.569116 0.315333 0.626908} H14 5486 -1 1 {} H 0.0 {0.694601 0.667188 0.565481} H15 5487 -1 1 {} H 0.0 {0.65125 0.662229 0.559981} H16 5488 -1 1 {} H 0.0 {0.660511 0.675104 0.551473} H17 5489 -1 1 {} H 0.0 {0.655254 0.677442 0.56837} H18 5490 -1 1 {} H 0.0 {0.64906 0.693157 0.535102} H19 5491 -1 1 {} H 0.0 {0.60765 0.366808 0.614233} H20 5492 -1 1 {} H 0.0 {0.614683 0.353692 0.623082} H21 5493 -1 1 {} H 0.0 {0.594443 0.517504 0.687062} H22 5494 -1 14 {} Si 0.0 {0.639345 0.497102 0.595889} Si1 5495 -1 8 {} O 0.0 {0.640311 0.482891 0.601738} O1 5496 -1 14 {} Si 0.0 {0.631179 0.470752 0.603648} Si2 5497 -1 8 {} O 0.0 {0.269933 0.400635 0.572413} O2 5498 -1 14 {} Si 0.0 {0.26813 0.394864 0.558141} Si3 5499 -1 7 {} N 0.0 {0.285532 0.393336 0.550992} N1 5500 -1 14 {} Si 0.0 {0.294855 0.37958 0.553094} Si4 5501 -1 14 {} Si 0.0 {0.296946 0.40537 0.555725} Si5 5502 -1 7 {} N 0.0 {0.298845 0.373841 0.533943} N2 5503 -1 7 {} N 0.0 {0.283552 0.364047 0.56041} N3 5504 -1 7 {} N 0.0 {0.31187 0.378772 0.562904} N4 5505 -1 7 {} N 0.0 {0.287432 0.422291 0.557149} N5 5506 -1 7 {} N 0.0 {0.305434 0.405341 0.573216} N6 5507 -1 7 {} N 0.0 {0.30955 0.40585 0.540714} N7 5508 -1 8 {} O 0.0 {0.625278 0.500991 0.602591} O3 5509 -1 6 {} C 0.0 {0.644449 0.500979 0.578079} C1 5510 -1 8 {} O 0.0 {0.294015 0.488716 0.527149} O4 5511 -1 7 {} N 0.0 {0.259197 0.405694 0.546616} N8 5512 -1 8 {} O 0.0 {0.260569 0.381286 0.562061} O5 5513 -1 1 {} H 0.0 {0.639417 0.459734 0.600323} H1 5514 -1 1 {} H 0.0 {0.62659 0.470336 0.619799} H2 5515 -1 1 {} H 0.0 {0.307081 0.380131 0.533252} H3 5516 -1 1 {} H 0.0 {0.302741 0.364486 0.535794} H4 5517 -1 1 {} H 0.0 {0.285548 0.357912 0.552084} H5 5518 -1 1 {} H 0.0 {0.274294 0.368204 0.55853} H6 5519 -1 1 {} H 0.0 {0.31676 0.386326 0.558063} H7 5520 -1 1 {} H 0.0 {0.316146 0.37045 0.558851} H8 5521 -1 1 {} H 0.0 {0.277841 0.419243 0.555932} H9 5522 -1 1 {} H 0.0 {0.289033 0.42448 0.566824} H10 5523 -1 1 {} H 0.0 {0.298857 0.410184 0.578882} H11 5524 -1 1 {} H 0.0 {0.306199 0.396062 0.576142} H12 5525 -1 1 {} H 0.0 {0.314856 0.397232 0.540606} H13 5526 -1 1 {} H 0.0 {0.316218 0.412533 0.544202} H14 5527 -1 1 {} H 0.0 {0.618961 0.500431 0.595217} H15 5528 -1 1 {} H 0.0 {0.640944 0.511071 0.575257} H16 5529 -1 1 {} H 0.0 {0.63936 0.4941 0.571753} H17 5530 -1 1 {} H 0.0 {0.654802 0.49951 0.577851} H18 5531 -1 1 {} H 0.0 {0.343154 0.481726 0.54673} H19 5532 -1 1 {} H 0.0 {0.258891 0.401162 0.53751} H20 5533 -1 1 {} H 0.0 {0.2494 0.406578 0.549165} H21 5534 -1 1 {} H 0.0 {0.255876 0.380871 0.570222} H22 5535 -1 14 {} Si 0.0 {0.687225 0.388282 0.413596} Si1 5536 -1 8 {} O 0.0 {0.693667 0.393395 0.427105} O1 5537 -1 14 {} Si 0.0 {0.702603 0.401946 0.43676} Si2 5538 -1 8 {} O 0.0 {0.693953 0.413542 0.441546} O2 5539 -1 14 {} Si 0.0 {0.682057 0.422883 0.436285} Si3 5540 -1 7 {} N 0.0 {0.679293 0.43765 0.448847} N1 5541 -1 14 {} Si 0.0 {0.667578 0.440254 0.459871} Si4 5542 -1 14 {} Si 0.0 {0.69275 0.446866 0.448376} Si5 5543 -1 7 {} N 0.0 {0.65599 0.425167 0.461241} N2 5544 -1 7 {} N 0.0 {0.656664 0.455955 0.458981} N3 5545 -1 7 {} N 0.0 {0.676025 0.442004 0.478129} N4 5546 -1 7 {} N 0.0 {0.686739 0.465659 0.452619} N5 5547 -1 7 {} N 0.0 {0.707035 0.442856 0.462589} N6 5548 -1 7 {} N 0.0 {0.70181 0.450652 0.431251} N7 5549 -1 8 {} O 0.0 {0.69559 0.398948 0.405014} O3 5550 -1 6 {} C 0.0 {0.668624 0.388691 0.410651} C1 5551 -1 8 {} O 0.0 {0.6967 0.371665 0.414805} O4 5552 -1 7 {} N 0.0 {0.663751 0.418467 0.43067} N8 5553 -1 8 {} O 0.0 {0.68874 0.424612 0.418457} O5 5554 -1 1 {} H 0.0 {0.716492 0.405992 0.430129} H1 5555 -1 1 {} H 0.0 {0.704608 0.392671 0.449317} H2 5556 -1 1 {} H 0.0 {0.658915 0.418991 0.45349} H3 5557 -1 1 {} H 0.0 {0.646757 0.428703 0.458171} H4 5558 -1 1 {} H 0.0 {0.659731 0.46151 0.467202} H5 5559 -1 1 {} H 0.0 {0.647573 0.452376 0.461679} H6 5560 -1 1 {} H 0.0 {0.674668 0.434465 0.484753} H7 5561 -1 1 {} H 0.0 {0.685576 0.440797 0.474016} H8 5562 -1 1 {} H 0.0 {0.682274 0.467705 0.443628} H9 5563 -1 1 {} H 0.0 {0.679152 0.46213 0.458597} H10 5564 -1 1 {} H 0.0 {0.702807 0.437258 0.470047} H11 5565 -1 1 {} H 0.0 {0.712644 0.435647 0.457997} H12 5566 -1 1 {} H 0.0 {0.694429 0.448092 0.425041} H13 5567 -1 1 {} H 0.0 {0.701164 0.460515 0.432299} H14 5568 -1 1 {} H 0.0 {0.704815 0.396381 0.403878} H15 5569 -1 1 {} H 0.0 {0.664466 0.397361 0.414986} H16 5570 -1 1 {} H 0.0 {0.662846 0.380063 0.413154} H17 5571 -1 1 {} H 0.0 {0.666835 0.388635 0.399844} H18 5572 -1 1 {} H 0.0 {0.70376 0.374107 0.421663} H19 5573 -1 1 {} H 0.0 {0.66409 0.420496 0.420994} H20 5574 -1 1 {} H 0.0 {0.659161 0.426277 0.434911} H21 5575 -1 1 {} H 0.0 {0.690771 0.41458 0.416301} H22 5576 -1 14 {} Si 0.0 {0.585159 0.425046 0.433271} Si1 5577 -1 8 {} O 0.0 {0.579174 0.41383 0.442566} O1 5578 -1 14 {} Si 0.0 {0.582202 0.387663 0.388527} Si2 5579 -1 8 {} O 0.0 {0.569931 0.390489 0.379832} O2 5580 -1 14 {} Si 0.0 {0.561616 0.386061 0.367948} Si3 5581 -1 7 {} N 0.0 {0.565294 0.395258 0.350456} N1 5582 -1 14 {} Si 0.0 {0.55508 0.403637 0.340602} Si4 5583 -1 14 {} Si 0.0 {0.579618 0.394388 0.342904} Si5 5584 -1 7 {} N 0.0 {0.545124 0.390579 0.330916} N2 5585 -1 7 {} N 0.0 {0.562092 0.417306 0.328305} N3 5586 -1 7 {} N 0.0 {0.544373 0.415289 0.352022} N4 5587 -1 7 {} N 0.0 {0.580393 0.392031 0.322453} N5 5588 -1 7 {} N 0.0 {0.591063 0.410995 0.348069} N6 5589 -1 7 {} N 0.0 {0.590846 0.378267 0.348542} N7 5590 -1 8 {} O 0.0 {0.570033 0.424153 0.417836} O3 5591 -1 6 {} C 0.0 {0.577467 0.44717 0.429481} C1 5592 -1 8 {} O 0.0 {0.577283 0.439495 0.445158} O4 5593 -1 7 {} N 0.0 {0.564342 0.351809 0.417989} N8 5594 -1 8 {} O 0.0 {0.620334 0.372999 0.346602} O5 5595 -1 1 {} H 0.0 {0.67395 0.488499 0.534395} H1 5596 -1 1 {} H 0.0 {0.591234 0.402522 0.38967} H2 5597 -1 1 {} H 0.0 {0.549001 0.381808 0.333968} H3 5598 -1 1 {} H 0.0 {0.54866 0.391997 0.321409} H4 5599 -1 1 {} H 0.0 {0.565333 0.423208 0.335642} H5 5600 -1 1 {} H 0.0 {0.553267 0.421464 0.325247} H6 5601 -1 1 {} H 0.0 {0.547187 0.424131 0.348963} H7 5602 -1 1 {} H 0.0 {0.548879 0.413203 0.360535} H8 5603 -1 1 {} H 0.0 {0.570771 0.387425 0.321292} H9 5604 -1 1 {} H 0.0 {0.57696 0.401597 0.320338} H10 5605 -1 1 {} H 0.0 {0.586062 0.41428 0.356324} H11 5606 -1 1 {} H 0.0 {0.587618 0.41668 0.34027} H12 5607 -1 1 {} H 0.0 {0.585827 0.37127 0.342911} H13 5608 -1 1 {} H 0.0 {0.599542 0.37981 0.3428} H14 5609 -1 1 {} H 0.0 {0.572558 0.425168 0.40897} H15 5610 -1 1 {} H 0.0 {0.566649 0.449073 0.429076} H16 5611 -1 1 {} H 0.0 {0.580443 0.44295 0.420259} H17 5612 -1 1 {} H 0.0 {0.583382 0.455413 0.431413} H18 5613 -1 1 {} H 0.0 {0.567714 0.437393 0.446367} H19 5614 -1 1 {} H 0.0 {0.564175 0.34438 0.425435} H20 5615 -1 1 {} H 0.0 {0.554518 0.351581 0.413996} H21 5616 -1 1 {} H 0.0 {0.617878 0.379805 0.338985} H22 5617 -1 14 {} Si 0.0 {0.5308 0.416257 0.651241} Si1 5618 -1 8 {} O 0.0 {0.582893 0.428766 0.698104} O1 5619 -1 14 {} Si 0.0 {0.568676 0.444239 0.712509} Si2 5620 -1 8 {} O 0.0 {0.563216 0.452859 0.725052} O2 5621 -1 14 {} Si 0.0 {0.576605 0.456848 0.750069} Si3 5622 -1 7 {} N 0.0 {0.583206 0.471374 0.75584} N1 5623 -1 14 {} Si 0.0 {0.5883 0.480027 0.742696} Si4 5624 -1 14 {} Si 0.0 {0.265368 0.379659 0.592802} Si5 5625 -1 7 {} N 0.0 {0.586244 0.500817 0.745102} N2 5626 -1 7 {} N 0.0 {0.259156 0.416573 0.575366} N3 5627 -1 7 {} N 0.0 {0.590186 0.475284 0.722741} N4 5628 -1 7 {} N 0.0 {0.286807 0.373511 0.59066} N5 5629 -1 7 {} N 0.0 {0.495953 0.375931 0.578448} N6 5630 -1 7 {} N 0.0 {0.252681 0.370896 0.589349} N7 5631 -1 8 {} O 0.0 {0.576813 0.302535 0.571956} O3 5632 -1 6 {} C 0.0 {0.528447 0.419286 0.668474} C1 5633 -1 8 {} O 0.0 {0.522369 0.436392 0.633928} O4 5634 -1 7 {} N 0.0 {0.574045 0.47964 0.76486} N8 5635 -1 8 {} O 0.0 {0.618449 0.470606 0.594706} O5 5636 -1 1 {} H 0.0 {0.570915 0.428102 0.719237} H1 5637 -1 1 {} H 0.0 {0.555867 0.440813 0.701899} H2 5638 -1 1 {} H 0.0 {0.592364 0.503954 0.737719} H3 5639 -1 1 {} H 0.0 {0.580855 0.499951 0.75397} H4 5640 -1 1 {} H 0.0 {0.264507 0.422959 0.581198} H5 5641 -1 1 {} H 0.0 {0.606087 0.476882 0.741164} H6 5642 -1 1 {} H 0.0 {0.585369 0.483605 0.719265} H7 5643 -1 1 {} H 0.0 {0.60079 0.477576 0.721935} H8 5644 -1 1 {} H 0.0 {0.290062 0.379669 0.598148} H9 5645 -1 1 {} H 0.0 {0.291501 0.375575 0.581934} H10 5646 -1 1 {} H 0.0 {0.49241 0.385487 0.579835} H11 5647 -1 1 {} H 0.0 {0.502702 0.37814 0.570673} H12 5648 -1 1 {} H 0.0 {0.658087 0.391673 0.576421} H13 5649 -1 1 {} H 0.0 {0.243141 0.371753 0.592234} H14 5650 -1 1 {} H 0.0 {0.419167 0.371895 0.690932} H15 5651 -1 1 {} H 0.0 {0.529059 0.429792 0.670655} H16 5652 -1 1 {} H 0.0 {0.498278 0.44462 0.663596} H17 5653 -1 1 {} H 0.0 {0.534628 0.412892 0.67454} H18 5654 -1 1 {} H 0.0 {0.52623 0.441133 0.641896} H19 5655 -1 1 {} H 0.0 {0.567491 0.485097 0.758096} H20 5656 -1 1 {} H 0.0 {0.567461 0.472911 0.76827} H21 5657 -1 1 {} H 0.0 {0.619986 0.476483 0.586912} H22 5658 -1 14 {} Si 0.0 {0.293939 0.417281 0.607821} Si1 5659 -1 8 {} O 0.0 {0.60548 0.509805 0.724757} O1 5660 -1 14 {} Si 0.0 {0.378123 0.362474 0.377316} Si2 5661 -1 8 {} O 0.0 {0.702133 0.336141 0.525917} O2 5662 -1 14 {} Si 0.0 {0.705667 0.343743 0.512985} Si3 5663 -1 7 {} N 0.0 {0.715778 0.340124 0.501018} N1 5664 -1 14 {} Si 0.0 {0.722105 0.326011 0.504982} Si4 5665 -1 14 {} Si 0.0 {0.723434 0.34222 0.483481} Si5 5666 -1 7 {} N 0.0 {0.530794 0.500782 0.691696} N2 5667 -1 7 {} N 0.0 {0.711593 0.307993 0.503522} N3 5668 -1 7 {} N 0.0 {0.740342 0.323331 0.511047} N4 5669 -1 7 {} N 0.0 {0.709964 0.357899 0.476938} N5 5670 -1 7 {} N 0.0 {0.738971 0.346921 0.481994} N6 5671 -1 7 {} N 0.0 {0.721529 0.326316 0.471699} N7 5672 -1 8 {} O 0.0 {0.611248 0.392089 0.329351} O3 5673 -1 6 {} C 0.0 {0.567873 0.496314 0.717551} C1 5674 -1 8 {} O 0.0 {0.288128 0.421718 0.593411} O4 5675 -1 7 {} N 0.0 {0.698933 0.362227 0.511691} N8 5676 -1 8 {} O 0.0 {0.693634 0.311142 0.530566} O5 5677 -1 1 {} H 0.0 {0.381531 0.351229 0.360319} H1 5678 -1 1 {} H 0.0 {0.616393 0.399263 0.325307} H2 5679 -1 1 {} H 0.0 {0.530636 0.509748 0.687185} H3 5680 -1 1 {} H 0.0 {0.540687 0.49868 0.692336} H4 5681 -1 1 {} H 0.0 {0.704611 0.31123 0.510141} H5 5682 -1 1 {} H 0.0 {0.718109 0.302107 0.509121} H6 5683 -1 1 {} H 0.0 {0.742975 0.332636 0.51339} H7 5684 -1 1 {} H 0.0 {0.744482 0.320814 0.502275} H8 5685 -1 1 {} H 0.0 {0.704264 0.354567 0.484952} H9 5686 -1 1 {} H 0.0 {0.708473 0.352116 0.46873} H10 5687 -1 1 {} H 0.0 {0.656091 0.268082 0.493835} H11 5688 -1 1 {} H 0.0 {0.652239 0.272847 0.489335} H12 5689 -1 1 {} H 0.0 {0.721364 0.31855 0.478518} H13 5690 -1 1 {} H 0.0 {0.731583 0.325879 0.468273} H14 5691 -1 1 {} H 0.0 {0.626991 0.276865 0.386473} H15 5692 -1 1 {} H 0.0 {0.349113 0.469375 0.555297} H16 5693 -1 1 {} H 0.0 {0.613528 0.504936 0.722737} H17 5694 -1 1 {} H 0.0 {0.619931 0.479524 0.732519} H18 5695 -1 1 {} H 0.0 {0.282389 0.414955 0.58942} H19 5696 -1 1 {} H 0.0 {0.692576 0.36139 0.50365} H20 5697 -1 1 {} H 0.0 {0.69242 0.36211 0.519447} H21 5698 -1 1 {} H 0.0 {0.471491 0.334601 0.374879} H22 5699 -1 14 {} Si 0.0 {0.317671 0.530783 0.516197} Si1 5700 -1 8 {} O 0.0 {0.308739 0.518443 0.512227} O1 5701 -1 14 {} Si 0.0 {0.293861 0.512759 0.51166} Si2 5702 -1 8 {} O 0.0 {0.284508 0.523211 0.51928} O2 5703 -1 14 {} Si 0.0 {0.281448 0.538598 0.522336} Si3 5704 -1 7 {} N 0.0 {0.289403 0.551472 0.51654} N1 5705 -1 14 {} Si 0.0 {0.334193 0.58334 0.53305} Si4 5706 -1 14 {} Si 0.0 {0.300646 0.562414 0.517872} Si5 5707 -1 7 {} N 0.0 {0.470236 0.753459 0.485255} N2 5708 -1 7 {} N 0.0 {0.341561 0.59949 0.540629} N3 5709 -1 7 {} N 0.0 {0.323881 0.590238 0.520124} N4 5710 -1 7 {} N 0.0 {0.3052 0.567999 0.536705} N5 5711 -1 7 {} N 0.0 {0.31548 0.559943 0.506905} N6 5712 -1 7 {} N 0.0 {0.292852 0.578906 0.509867} N7 5713 -1 8 {} O 0.0 {0.329057 0.528656 0.505852} O3 5714 -1 6 {} C 0.0 {0.314682 0.544445 0.527085} C1 5715 -1 8 {} O 0.0 {0.433873 0.379961 0.345388} O4 5716 -1 7 {} N 0.0 {0.284359 0.53855 0.543118} N8 5717 -1 8 {} O 0.0 {0.266014 0.538626 0.519988} O5 5718 -1 1 {} H 0.0 {0.292486 0.497635 0.520278} H1 5719 -1 1 {} H 0.0 {0.34869 0.455729 0.65111} H2 5720 -1 1 {} H 0.0 {0.463978 0.761196 0.483838} H3 5721 -1 1 {} H 0.0 {0.465046 0.745234 0.48195} H4 5722 -1 1 {} H 0.0 {0.350899 0.598672 0.537307} H5 5723 -1 1 {} H 0.0 {0.341117 0.596081 0.550797} H6 5724 -1 1 {} H 0.0 {0.317969 0.582722 0.51651} H7 5725 -1 1 {} H 0.0 {0.330419 0.591705 0.512677} H8 5726 -1 1 {} H 0.0 {0.295564 0.567213 0.539998} H9 5727 -1 1 {} H 0.0 {0.305945 0.578632 0.535659} H10 5728 -1 1 {} H 0.0 {0.322843 0.565035 0.512211} H11 5729 -1 1 {} H 0.0 {0.314081 0.565202 0.49848} H12 5730 -1 1 {} H 0.0 {0.291141 0.575084 0.50053} H13 5731 -1 1 {} H 0.0 {0.283386 0.579781 0.51321} H14 5732 -1 1 {} H 0.0 {0.324504 0.513741 0.495286} H15 5733 -1 1 {} H 0.0 {0.324575 0.547922 0.529796} H16 5734 -1 1 {} H 0.0 {0.309933 0.54131 0.535604} H17 5735 -1 1 {} H 0.0 {0.324923 0.524361 0.532462} H18 5736 -1 1 {} H 0.0 {0.442297 0.378605 0.350006} H19 5737 -1 1 {} H 0.0 {0.275449 0.535593 0.546593} H20 5738 -1 1 {} H 0.0 {0.289561 0.529221 0.54384} H21 5739 -1 1 {} H 0.0 {0.26283 0.529187 0.518631} H22 5740 -1 14 {} Si 0.0 {0.702482 0.486242 0.331199} Si1 5741 -1 8 {} O 0.0 {0.71812 0.486777 0.336154} O1 5742 -1 14 {} Si 0.0 {0.722195 0.501779 0.337149} Si2 5743 -1 8 {} O 0.0 {0.54453 0.654223 0.629543} O2 5744 -1 14 {} Si 0.0 {0.556187 0.648363 0.620018} Si3 5745 -1 7 {} N 0.0 {0.560459 0.633241 0.626123} N1 5746 -1 14 {} Si 0.0 {0.572879 0.622375 0.621493} Si4 5747 -1 14 {} Si 0.0 {0.551175 0.622738 0.635683} Si5 5748 -1 7 {} N 0.0 {0.587647 0.623803 0.634651} N2 5749 -1 7 {} N 0.0 {0.580243 0.626642 0.604435} N3 5750 -1 7 {} N 0.0 {0.570916 0.602847 0.62114} N4 5751 -1 7 {} N 0.0 {0.536492 0.616006 0.625505} N5 5752 -1 7 {} N 0.0 {0.559393 0.607814 0.645989} N6 5753 -1 7 {} N 0.0 {0.543606 0.633185 0.651237} N7 5754 -1 8 {} O 0.0 {0.549619 0.541445 0.702301} O3 5755 -1 6 {} C 0.0 {0.695935 0.482832 0.313026} C1 5756 -1 8 {} O 0.0 {0.551375 0.56574 0.677974} O4 5757 -1 7 {} N 0.0 {0.572095 0.658584 0.616088} N8 5758 -1 8 {} O 0.0 {0.544632 0.647156 0.603097} O5 5759 -1 1 {} H 0.0 {0.542232 0.648447 0.636497} H1 5760 -1 1 {} H 0.0 {0.724795 0.510966 0.32358} H2 5761 -1 1 {} H 0.0 {0.585365 0.633223 0.6384} H3 5762 -1 1 {} H 0.0 {0.595675 0.625956 0.628716} H4 5763 -1 1 {} H 0.0 {0.590248 0.623742 0.604389} H5 5764 -1 1 {} H 0.0 {0.576292 0.619644 0.598125} H6 5765 -1 1 {} H 0.0 {0.560021 0.602683 0.620637} H7 5766 -1 1 {} H 0.0 {0.573391 0.601576 0.611217} H8 5767 -1 1 {} H 0.0 {0.537708 0.62143 0.616997} H9 5768 -1 1 {} H 0.0 {0.528565 0.620234 0.630678} H10 5769 -1 1 {} H 0.0 {0.560054 0.612683 0.654783} H11 5770 -1 1 {} H 0.0 {0.56879 0.60701 0.64266} H12 5771 -1 1 {} H 0.0 {0.552668 0.635792 0.654358} H13 5772 -1 1 {} H 0.0 {0.54168 0.625025 0.657253} H14 5773 -1 1 {} H 0.0 {0.608334 0.635442 0.653168} H15 5774 -1 1 {} H 0.0 {0.699914 0.47397 0.309047} H16 5775 -1 1 {} H 0.0 {0.7002 0.49194 0.30935} H17 5776 -1 1 {} H 0.0 {0.685228 0.483073 0.313043} H18 5777 -1 1 {} H 0.0 {0.5633 0.733297 0.54273} H19 5778 -1 1 {} H 0.0 {0.575818 0.658908 0.625305} H20 5779 -1 1 {} H 0.0 {0.576994 0.65064 0.611981} H21 5780 -1 1 {} H 0.0 {0.549468 0.653219 0.597665} H22 5781 -1 14 {} Si 0.0 {0.439038 0.486344 0.286439} Si1 5782 -1 8 {} O 0.0 {0.443975 0.49017 0.271845} O1 5783 -1 14 {} Si 0.0 {0.393851 0.615182 0.268084} Si2 5784 -1 8 {} O 0.0 {0.342119 0.318226 0.411561} O2 5785 -1 14 {} Si 0.0 {0.65622 0.379985 0.544028} Si3 5786 -1 7 {} N 0.0 {0.661478 0.365636 0.540611} N1 5787 -1 14 {} Si 0.0 {0.328272 0.317226 0.418163} Si4 5788 -1 14 {} Si 0.0 {0.337526 0.296853 0.424804} Si5 5789 -1 7 {} N 0.0 {0.320849 0.328814 0.430061} N2 5790 -1 7 {} N 0.0 {0.315109 0.315618 0.405173} N3 5791 -1 7 {} N 0.0 {0.35819 0.665803 0.357471} N4 5792 -1 7 {} N 0.0 {0.329905 0.2854 0.437646} N5 5793 -1 7 {} N 0.0 {0.487443 0.326303 0.603152} N6 5794 -1 7 {} N 0.0 {0.366502 0.339865 0.418494} N7 5795 -1 8 {} O 0.0 {0.392422 0.355136 0.390259} O3 5796 -1 6 {} C 0.0 {0.656959 0.510171 0.605848} C1 5797 -1 8 {} O 0.0 {0.395656 0.540953 0.263676} O4 5798 -1 7 {} N 0.0 {0.676151 0.363765 0.537283} N8 5799 -1 8 {} O 0.0 {0.655641 0.386635 0.558236} O5 5800 -1 1 {} H 0.0 {0.406057 0.627109 0.288375} H1 5801 -1 1 {} H 0.0 {0.435708 0.465437 0.284351} H2 5802 -1 1 {} H 0.0 {0.326267 0.337262 0.43181} H3 5803 -1 1 {} H 0.0 {0.312762 0.332763 0.425431} H4 5804 -1 1 {} H 0.0 {0.312258 0.306641 0.407799} H5 5805 -1 1 {} H 0.0 {0.321376 0.315257 0.396783} H6 5806 -1 1 {} H 0.0 {0.348482 0.66599 0.353494} H7 5807 -1 1 {} H 0.0 {0.35731 0.661474 0.367132} H8 5808 -1 1 {} H 0.0 {0.330581 0.276123 0.434294} H9 5809 -1 1 {} H 0.0 {0.337848 0.286148 0.444002} H10 5810 -1 1 {} H 0.0 {0.482927 0.318098 0.598921} H11 5811 -1 1 {} H 0.0 {0.481475 0.334329 0.600186} H12 5812 -1 1 {} H 0.0 {0.369121 0.334769 0.42732} H13 5813 -1 1 {} H 0.0 {0.37483 0.337399 0.412348} H14 5814 -1 1 {} H 0.0 {0.498665 0.342941 0.643918} H15 5815 -1 1 {} H 0.0 {0.653409 0.517908 0.611861} H16 5816 -1 1 {} H 0.0 {0.662126 0.503202 0.611747} H17 5817 -1 1 {} H 0.0 {0.414967 0.327014 0.382527} H18 5818 -1 1 {} H 0.0 {0.395712 0.532419 0.267761} H19 5819 -1 1 {} H 0.0 {0.679046 0.371483 0.531503} H20 5820 -1 1 {} H 0.0 {0.678104 0.355374 0.531178} H21 5821 -1 1 {} H 0.0 {0.660734 0.395763 0.557966} H22 5822 -1 14 {} Si 0.0 {0.598871 0.563703 0.642988} Si1 5823 -1 8 {} O 0.0 {0.588082 0.556346 0.653595} O1 5824 -1 14 {} Si 0.0 {0.584052 0.555694 0.668524} Si2 5825 -1 8 {} O 0.0 {0.577338 0.569359 0.670824} O2 5826 -1 14 {} Si 0.0 {0.566695 0.580267 0.670605} Si3 5827 -1 7 {} N 0.0 {0.57007 0.594616 0.678483} N1 5828 -1 14 {} Si 0.0 {0.579908 0.607551 0.675215} Si4 5829 -1 14 {} Si 0.0 {0.557634 0.605271 0.690349} Si5 5830 -1 7 {} N 0.0 {0.588228 0.60054 0.65978} N2 5831 -1 7 {} N 0.0 {0.593651 0.612572 0.687824} N3 5832 -1 7 {} N 0.0 {0.572774 0.624217 0.670154} N4 5833 -1 7 {} N 0.0 {0.549757 0.594443 0.698831} N5 5834 -1 7 {} N 0.0 {0.562863 0.62016 0.702542} N6 5835 -1 7 {} N 0.0 {0.543636 0.615144 0.681058} N7 5836 -1 8 {} O 0.0 {0.610908 0.562332 0.653975} O3 5837 -1 6 {} C 0.0 {0.593067 0.580073 0.635865} C1 5838 -1 8 {} O 0.0 {0.603436 0.551642 0.634121} O4 5839 -1 7 {} N 0.0 {0.552452 0.682942 0.627215} N8 5840 -1 8 {} O 0.0 {0.562514 0.579231 0.655181} O5 5841 -1 1 {} H 0.0 {0.599115 0.561982 0.682494} H1 5842 -1 1 {} H 0.0 {0.572198 0.543363 0.670937} H2 5843 -1 1 {} H 0.0 {0.588415 0.608763 0.653392} H3 5844 -1 1 {} H 0.0 {0.581189 0.594604 0.656255} H4 5845 -1 1 {} H 0.0 {0.586802 0.616666 0.694292} H5 5846 -1 1 {} H 0.0 {0.597677 0.620123 0.682354} H6 5847 -1 1 {} H 0.0 {0.565895 0.627354 0.676982} H7 5848 -1 1 {} H 0.0 {0.581109 0.629837 0.671097} H8 5849 -1 1 {} H 0.0 {0.549659 0.58648 0.692766} H9 5850 -1 1 {} H 0.0 {0.679523 0.364556 0.478244} H10 5851 -1 1 {} H 0.0 {0.554636 0.625443 0.701013} H11 5852 -1 1 {} H 0.0 {0.561433 0.616028 0.711967} H12 5853 -1 1 {} H 0.0 {0.543921 0.61105 0.671745} H13 5854 -1 1 {} H 0.0 {0.536968 0.610082 0.68652} H14 5855 -1 1 {} H 0.0 {0.606793 0.557917 0.661779} H15 5856 -1 1 {} H 0.0 {0.599805 0.587952 0.640214} H16 5857 -1 1 {} H 0.0 {0.583049 0.582434 0.639758} H17 5858 -1 1 {} H 0.0 {0.594317 0.579477 0.625053} H18 5859 -1 1 {} H 0.0 {0.608585 0.545646 0.639927} H19 5860 -1 1 {} H 0.0 {0.555477 0.673361 0.62517} H20 5861 -1 1 {} H 0.0 {0.555159 0.689732 0.61938} H21 5862 -1 1 {} H 0.0 {0.562839 0.587829 0.650032} H22 5863 -1 14 {} Si 0.0 {0.608602 0.410202 0.418932} Si1 5864 -1 8 {} O 0.0 {0.662652 0.359176 0.419525} O1 5865 -1 14 {} Si 0.0 {0.67471 0.356908 0.430862} Si2 5866 -1 8 {} O 0.0 {0.677428 0.340848 0.432389} O2 5867 -1 14 {} Si 0.0 {0.675286 0.325717 0.43037} Si3 5868 -1 7 {} N 0.0 {0.682478 0.316254 0.441539} N1 5869 -1 14 {} Si 0.0 {0.693736 0.304342 0.441251} Si4 5870 -1 14 {} Si 0.0 {0.677846 0.323071 0.456208} Si5 5871 -1 7 {} N 0.0 {0.70501 0.30609 0.45604} N2 5872 -1 7 {} N 0.0 {0.70405 0.30344 0.425436} N3 5873 -1 7 {} N 0.0 {0.684535 0.286954 0.440238} N4 5874 -1 7 {} N 0.0 {0.690148 0.33681 0.464274} N5 5875 -1 7 {} N 0.0 {0.658349 0.331348 0.453233} N6 5876 -1 7 {} N 0.0 {0.671722 0.310121 0.46904} N7 5877 -1 8 {} O 0.0 {0.604921 0.39021 0.419598} O3 5878 -1 6 {} C 0.0 {0.602153 0.423823 0.429728} C1 5879 -1 8 {} O 0.0 {0.62349 0.407474 0.414276} O4 5880 -1 7 {} N 0.0 {0.662145 0.315097 0.420243} N8 5881 -1 8 {} O 0.0 {0.635307 0.464011 0.366206} O5 5882 -1 1 {} H 0.0 {0.672474 0.364352 0.444925} H1 5883 -1 1 {} H 0.0 {0.688484 0.364747 0.424006} H2 5884 -1 1 {} H 0.0 {0.699543 0.309891 0.463516} H3 5885 -1 1 {} H 0.0 {0.712512 0.31246 0.453475} H4 5886 -1 1 {} H 0.0 {0.696715 0.301296 0.418216} H5 5887 -1 1 {} H 0.0 {0.70849 0.294221 0.427103} H6 5888 -1 1 {} H 0.0 {0.675985 0.289681 0.43558} H7 5889 -1 1 {} H 0.0 {0.68159 0.285281 0.449894} H8 5890 -1 1 {} H 0.0 {0.690429 0.343062 0.456507} H9 5891 -1 1 {} H 0.0 {0.698374 0.331198 0.463176} H10 5892 -1 1 {} H 0.0 {0.655735 0.323537 0.447794} H11 5893 -1 1 {} H 0.0 {0.652191 0.330629 0.461441} H12 5894 -1 1 {} H 0.0 {0.674619 0.300472 0.465495} H13 5895 -1 1 {} H 0.0 {0.661837 0.310834 0.466023} H14 5896 -1 1 {} H 0.0 {0.613837 0.387345 0.422842} H15 5897 -1 1 {} H 0.0 {0.566501 0.414707 0.418235} H16 5898 -1 1 {} H 0.0 {0.665304 0.35495 0.41196} H17 5899 -1 1 {} H 0.0 {0.607844 0.424556 0.438639} H18 5900 -1 1 {} H 0.0 {0.625109 0.398975 0.417456} H19 5901 -1 1 {} H 0.0 {0.665872 0.305406 0.421496} H20 5902 -1 1 {} H 0.0 {0.664093 0.317282 0.410837} H21 5903 -1 1 {} H 0.0 {0.625835 0.466387 0.36981} H22 5904 -1 14 {} Si 0.0 {0.292966 0.560362 0.581651} Si1 5905 -1 8 {} O 0.0 {0.321063 0.541105 0.578818} O1 5906 -1 14 {} Si 0.0 {0.330997 0.543984 0.566978} Si2 5907 -1 8 {} O 0.0 {0.347959 0.529759 0.58713} O2 5908 -1 14 {} Si 0.0 {0.352875 0.543618 0.580448} Si3 5909 -1 7 {} N 0.0 {0.353993 0.558349 0.589537} N1 5910 -1 14 {} Si 0.0 {0.337504 0.63854 0.596534} Si4 5911 -1 14 {} Si 0.0 {0.379604 0.559718 0.603942} Si5 5912 -1 7 {} N 0.0 {0.321158 0.629608 0.602365} N2 5913 -1 7 {} N 0.0 {0.340575 0.652187 0.60427} N3 5914 -1 7 {} N 0.0 {0.327166 0.717645 0.472321} N4 5915 -1 7 {} N 0.0 {0.362297 0.56103 0.602462} N5 5916 -1 7 {} N 0.0 {0.409991 0.540613 0.576079} N6 5917 -1 7 {} N 0.0 {0.417317 0.561629 0.604383} N7 5918 -1 8 {} O 0.0 {0.300265 0.548364 0.587974} O3 5919 -1 6 {} C 0.0 {0.352578 0.495272 0.490635} C1 5920 -1 8 {} O 0.0 {0.564621 0.535394 0.671854} O4 5921 -1 7 {} N 0.0 {0.528361 0.365744 0.322569} N8 5922 -1 8 {} O 0.0 {0.36062 0.538064 0.567631} O5 5923 -1 1 {} H 0.0 {0.338583 0.528991 0.585733} H1 5924 -1 1 {} H 0.0 {0.329497 0.534985 0.556325} H2 5925 -1 1 {} H 0.0 {0.319446 0.623803 0.594561} H3 5926 -1 1 {} H 0.0 {0.324782 0.623486 0.609659} H4 5927 -1 1 {} H 0.0 {0.333364 0.657631 0.609419} H5 5928 -1 1 {} H 0.0 {0.484253 0.69126 0.437828} H6 5929 -1 1 {} H 0.0 {0.332212 0.572508 0.609972} H7 5930 -1 1 {} H 0.0 {0.321291 0.708929 0.47108} H8 5931 -1 1 {} H 0.0 {0.338875 0.468126 0.608967} H9 5932 -1 1 {} H 0.0 {0.359309 0.552685 0.608905} H10 5933 -1 1 {} H 0.0 {0.410708 0.547193 0.568655} H11 5934 -1 1 {} H 0.0 {0.412306 0.545567 0.584495} H12 5935 -1 1 {} H 0.0 {0.414951 0.562328 0.59446} H13 5936 -1 1 {} H 0.0 {0.413645 0.552481 0.607458} H14 5937 -1 1 {} H 0.0 {0.472346 0.304452 0.496409} H15 5938 -1 1 {} H 0.0 {0.346876 0.494603 0.499395} H16 5939 -1 1 {} H 0.0 {0.347232 0.498732 0.482353} H17 5940 -1 1 {} H 0.0 {0.361273 0.50061 0.492026} H18 5941 -1 1 {} H 0.0 {0.595607 0.736418 0.566822} H19 5942 -1 1 {} H 0.0 {0.519524 0.365499 0.318166} H20 5943 -1 1 {} H 0.0 {0.528508 0.361102 0.332316} H21 5944 -1 1 {} H 0.0 {0.342407 0.557564 0.55172} H22 5945 -1 14 {} Si 0.0 {0.399385 0.516347 0.543791} Si1 5946 -1 8 {} O 0.0 {0.414588 0.519528 0.540308} O1 5947 -1 14 {} Si 0.0 {0.429514 0.522646 0.542589} Si2 5948 -1 8 {} O 0.0 {0.433538 0.512998 0.554529} O2 5949 -1 14 {} Si 0.0 {0.435863 0.498088 0.557778} Si3 5950 -1 7 {} N 0.0 {0.424533 0.488238 0.570714} N1 5951 -1 14 {} Si 0.0 {0.425402 0.471897 0.571949} Si4 5952 -1 14 {} Si 0.0 {0.411208 0.495909 0.576319} Si5 5953 -1 7 {} N 0.0 {0.442443 0.467323 0.579149} N2 5954 -1 7 {} N 0.0 {0.423705 0.464627 0.554372} N3 5955 -1 7 {} N 0.0 {0.415094 0.462184 0.585356} N4 5956 -1 7 {} N 0.0 {0.418681 0.508785 0.588515} N5 5957 -1 7 {} N 0.0 {0.399255 0.506705 0.563389} N6 5958 -1 7 {} N 0.0 {0.39875 0.486004 0.586455} N7 5959 -1 8 {} O 0.0 {0.443236 0.509285 0.519764} O3 5960 -1 6 {} C 0.0 {0.3861 0.528136 0.544166} C1 5961 -1 8 {} O 0.0 {0.397663 0.502699 0.536098} O4 5962 -1 7 {} N 0.0 {0.453665 0.49345 0.564121} N8 5963 -1 8 {} O 0.0 {0.431207 0.492244 0.54399} O5 5964 -1 1 {} H 0.0 {0.453353 0.556725 0.573885} H1 5965 -1 1 {} H 0.0 {0.436976 0.516899 0.529971} H2 5966 -1 1 {} H 0.0 {0.444293 0.457766 0.574916} H3 5967 -1 1 {} H 0.0 {0.44059 0.464874 0.588718} H4 5968 -1 1 {} H 0.0 {0.431925 0.45958 0.552754} H5 5969 -1 1 {} H 0.0 {0.422801 0.4725 0.548306} H6 5970 -1 1 {} H 0.0 {0.406349 0.46076 0.580462} H7 5971 -1 1 {} H 0.0 {0.412724 0.468686 0.592931} H8 5972 -1 1 {} H 0.0 {0.426212 0.51336 0.583564} H9 5973 -1 1 {} H 0.0 {0.411582 0.516232 0.587721} H10 5974 -1 1 {} H 0.0 {0.390628 0.501326 0.561996} H11 5975 -1 1 {} H 0.0 {0.396624 0.514953 0.569605} H12 5976 -1 1 {} H 0.0 {0.395173 0.493403 0.59198} H13 5977 -1 1 {} H 0.0 {0.390437 0.483867 0.580666} H14 5978 -1 1 {} H 0.0 {0.44197 0.500542 0.523592} H15 5979 -1 1 {} H 0.0 {0.380159 0.528125 0.535654} H16 5980 -1 1 {} H 0.0 {0.390433 0.537831 0.543432} H17 5981 -1 1 {} H 0.0 {0.472844 0.635846 0.523074} H18 5982 -1 1 {} H 0.0 {0.396092 0.495762 0.543213} H19 5983 -1 1 {} H 0.0 {0.451305 0.484921 0.569274} H20 5984 -1 1 {} H 0.0 {0.457429 0.491123 0.554676} H21 5985 -1 1 {} H 0.0 {0.423325 0.497329 0.540735} H22 5986 -1 14 {} Si 0.0 {0.45198 0.431885 0.427321} Si1 5987 -1 8 {} O 0.0 {0.354869 0.466118 0.47791} O1 5988 -1 14 {} Si 0.0 {0.362409 0.454643 0.468862} Si2 5989 -1 8 {} O 0.0 {0.352195 0.442701 0.470118} O2 5990 -1 14 {} Si 0.0 {0.379864 0.450798 0.493803} Si3 5991 -1 7 {} N 0.0 {0.37908 0.467636 0.503793} N1 5992 -1 14 {} Si 0.0 {0.382739 0.471491 0.519146} Si4 5993 -1 14 {} Si 0.0 {0.358619 0.477366 0.48917} Si5 5994 -1 7 {} N 0.0 {0.402527 0.475817 0.520668} N2 5995 -1 7 {} N 0.0 {0.374308 0.486647 0.52743} N3 5996 -1 7 {} N 0.0 {0.414631 0.464985 0.524656} N4 5997 -1 7 {} N 0.0 {0.408605 0.393297 0.526192} N5 5998 -1 7 {} N 0.0 {0.348629 0.472256 0.505476} N6 5999 -1 7 {} N 0.0 {0.397808 0.392278 0.537531} N7 6000 -1 8 {} O 0.0 {0.481017 0.498677 0.49783} O3 6001 -1 6 {} C 0.0 {0.40971 0.41828 0.392245} C1 6002 -1 8 {} O 0.0 {0.466239 0.432582 0.434589} O4 6003 -1 7 {} N 0.0 {0.445223 0.435554 0.534757} N8 6004 -1 8 {} O 0.0 {0.373648 0.449742 0.47889} O5 6005 -1 1 {} H 0.0 {0.517568 0.678863 0.33182} H1 6006 -1 1 {} H 0.0 {0.479339 0.250653 0.365148} H2 6007 -1 1 {} H 0.0 {0.404493 0.478634 0.510723} H3 6008 -1 1 {} H 0.0 {0.401447 0.485102 0.526051} H4 6009 -1 1 {} H 0.0 {0.381017 0.494421 0.526661} H5 6010 -1 1 {} H 0.0 {0.375396 0.484642 0.536969} H6 6011 -1 1 {} H 0.0 {0.416675 0.456766 0.519069} H7 6012 -1 1 {} H 0.0 {0.414355 0.461562 0.534036} H8 6013 -1 1 {} H 0.0 {0.416688 0.387021 0.52666} H9 6014 -1 1 {} H 0.0 {0.405224 0.390589 0.5169} H10 6015 -1 1 {} H 0.0 {0.352694 0.462757 0.506404} H11 6016 -1 1 {} H 0.0 {0.355261 0.478352 0.510686} H12 6017 -1 1 {} H 0.0 {0.400085 0.396564 0.546369} H13 6018 -1 1 {} H 0.0 {0.395301 0.381923 0.538738} H14 6019 -1 1 {} H 0.0 {0.486037 0.498894 0.506786} H15 6020 -1 1 {} H 0.0 {0.41322 0.393547 0.402425} H16 6021 -1 1 {} H 0.0 {0.41353 0.427801 0.39104} H17 6022 -1 1 {} H 0.0 {0.432374 0.425464 0.435589} H18 6023 -1 1 {} H 0.0 {0.441987 0.436082 0.456175} H19 6024 -1 1 {} H 0.0 {0.435468 0.433004 0.532383} H20 6025 -1 1 {} H 0.0 {0.445369 0.437919 0.544723} H21 6026 -1 1 {} H 0.0 {0.377436 0.48795 0.497035} H22 6027 -1 14 {} Si 0.0 {0.3468 0.430142 0.545407} Si1 6028 -1 8 {} O 0.0 {0.315651 0.447878 0.610639} O1 6029 -1 14 {} Si 0.0 {0.330689 0.449431 0.614465} Si2 6030 -1 8 {} O 0.0 {0.335989 0.446817 0.599499} O2 6031 -1 14 {} Si 0.0 {0.345651 0.439533 0.589975} Si3 6032 -1 7 {} N 0.0 {0.352854 0.426124 0.60272} N1 6033 -1 14 {} Si 0.0 {0.351133 0.410746 0.597087} Si4 6034 -1 14 {} Si 0.0 {0.35174 0.422136 0.618519} Si5 6035 -1 7 {} N 0.0 {0.337884 0.408009 0.586938} N2 6036 -1 7 {} N 0.0 {0.33445 0.393317 0.583337} N3 6037 -1 7 {} N 0.0 {0.368636 0.401485 0.593829} N4 6038 -1 7 {} N 0.0 {0.338255 0.435831 0.626988} N5 6039 -1 7 {} N 0.0 {0.342794 0.405143 0.623944} N6 6040 -1 7 {} N 0.0 {0.369261 0.420937 0.62701} N7 6041 -1 8 {} O 0.0 {0.330376 0.431862 0.550483} O3 6042 -1 6 {} C 0.0 {0.360848 0.427237 0.557901} C1 6043 -1 8 {} O 0.0 {0.346984 0.443173 0.535754} O4 6044 -1 7 {} N 0.0 {0.359451 0.450791 0.583745} N8 6045 -1 8 {} O 0.0 {0.335191 0.437499 0.577917} O5 6046 -1 1 {} H 0.0 {0.364769 0.435875 0.561982} H1 6047 -1 1 {} H 0.0 {0.3144 0.448152 0.601448} H2 6048 -1 1 {} H 0.0 {0.33087 0.415107 0.584314} H3 6049 -1 1 {} H 0.0 {0.365154 0.360326 0.611482} H4 6050 -1 1 {} H 0.0 {0.341522 0.38866 0.577325} H5 6051 -1 1 {} H 0.0 {0.325136 0.392462 0.579395} H6 6052 -1 1 {} H 0.0 {0.374204 0.408957 0.597548} H7 6053 -1 1 {} H 0.0 {0.370422 0.401623 0.583758} H8 6054 -1 1 {} H 0.0 {0.344299 0.441021 0.633158} H9 6055 -1 1 {} H 0.0 {0.332907 0.429712 0.633562} H10 6056 -1 1 {} H 0.0 {0.349364 0.399452 0.618439} H11 6057 -1 1 {} H 0.0 {0.346316 0.402991 0.633497} H12 6058 -1 1 {} H 0.0 {0.369374 0.430982 0.629764} H13 6059 -1 1 {} H 0.0 {0.374423 0.42052 0.618323} H14 6060 -1 1 {} H 0.0 {0.33042 0.433456 0.560646} H15 6061 -1 1 {} H 0.0 {0.44979 0.426563 0.534061} H16 6062 -1 1 {} H 0.0 {0.35748 0.42132 0.565574} H17 6063 -1 1 {} H 0.0 {0.368671 0.42216 0.55231} H18 6064 -1 1 {} H 0.0 {0.342953 0.438491 0.523658} H19 6065 -1 1 {} H 0.0 {0.354324 0.456277 0.577389} H20 6066 -1 1 {} H 0.0 {0.361572 0.45694 0.591033} H21 6067 -1 1 {} H 0.0 {0.325841 0.440062 0.581569} H22 6068 -1 14 {} Si 0.0 {0.350816 0.52476 0.402239} Si1 6069 -1 8 {} O 0.0 {0.341334 0.51241 0.401697} O1 6070 -1 14 {} Si 0.0 {0.331834 0.501463 0.406959} Si2 6071 -1 8 {} O 0.0 {0.333399 0.50068 0.422437} O2 6072 -1 14 {} Si 0.0 {0.339309 0.504663 0.435982} Si3 6073 -1 7 {} N 0.0 {0.343014 0.51862 0.442353} N1 6074 -1 14 {} Si 0.0 {0.616451 0.59052 0.605498} Si4 6075 -1 14 {} Si 0.0 {0.344142 0.532296 0.4508} Si5 6076 -1 7 {} N 0.0 {0.706576 0.362161 0.550405} N2 6077 -1 7 {} N 0.0 {0.603437 0.603399 0.610426} N3 6078 -1 7 {} N 0.0 {0.326112 0.543047 0.411801} N4 6079 -1 7 {} N 0.0 {0.332185 0.544063 0.44454} N5 6080 -1 7 {} N 0.0 {0.341193 0.528425 0.468925} N6 6081 -1 7 {} N 0.0 {0.361524 0.53997 0.448583} N7 6082 -1 8 {} O 0.0 {0.339826 0.531985 0.391842} O3 6083 -1 6 {} C 0.0 {0.368687 0.522566 0.396561} C1 6084 -1 8 {} O 0.0 {0.344058 0.535947 0.417109} O4 6085 -1 7 {} N 0.0 {0.378028 0.482228 0.433983} N8 6086 -1 8 {} O 0.0 {0.345368 0.491097 0.439765} O5 6087 -1 1 {} H 0.0 {0.337504 0.486505 0.400598} H1 6088 -1 1 {} H 0.0 {0.31785 0.504383 0.404702} H2 6089 -1 1 {} H 0.0 {0.70749 0.35533 0.542996} H3 6090 -1 1 {} H 0.0 {0.715063 0.367591 0.55088} H4 6091 -1 1 {} H 0.0 {0.594095 0.60042 0.608289} H5 6092 -1 1 {} H 0.0 {0.604235 0.602958 0.620587} H6 6093 -1 1 {} H 0.0 {0.610206 0.57438 0.590246} H7 6094 -1 1 {} H 0.0 {0.648542 0.529175 0.652653} H8 6095 -1 1 {} H 0.0 {0.331845 0.543663 0.434268} H9 6096 -1 1 {} H 0.0 {0.336572 0.552824 0.446163} H10 6097 -1 1 {} H 0.0 {0.340977 0.5188 0.468275} H11 6098 -1 1 {} H 0.0 {0.350169 0.531699 0.473411} H12 6099 -1 1 {} H 0.0 {0.360792 0.544772 0.439697} H13 6100 -1 1 {} H 0.0 {0.367265 0.531913 0.445915} H14 6101 -1 1 {} H 0.0 {0.333813 0.53679 0.397016} H15 6102 -1 1 {} H 0.0 {0.374451 0.520083 0.405118} H16 6103 -1 1 {} H 0.0 {0.372641 0.531318 0.391952} H17 6104 -1 1 {} H 0.0 {0.368556 0.514138 0.389765} H18 6105 -1 1 {} H 0.0 {0.34324 0.528182 0.423823} H19 6106 -1 1 {} H 0.0 {0.374481 0.484422 0.423931} H20 6107 -1 1 {} H 0.0 {0.388086 0.480204 0.432582} H21 6108 -1 1 {} H 0.0 {0.699317 0.368534 0.546917} H22 6109 -1 14 {} Si 0.0 {0.479602 0.403553 0.660748} Si1 6110 -1 8 {} O 0.0 {0.49544 0.405892 0.665189} O1 6111 -1 14 {} Si 0.0 {0.506286 0.411264 0.674976} Si2 6112 -1 8 {} O 0.0 {0.501432 0.388039 0.700059} O2 6113 -1 14 {} Si 0.0 {0.496424 0.40291 0.701431} Si3 6114 -1 7 {} N 0.0 {0.545029 0.705872 0.499612} N1 6115 -1 14 {} Si 0.0 {0.560332 0.701049 0.497495} Si4 6116 -1 14 {} Si 0.0 {0.537067 0.716901 0.507497} Si5 6117 -1 7 {} N 0.0 {0.589916 0.29334 0.581444} N2 6118 -1 7 {} N 0.0 {0.570656 0.707529 0.507917} N3 6119 -1 7 {} N 0.0 {0.566277 0.707238 0.480313} N4 6120 -1 7 {} N 0.0 {0.543896 0.718541 0.525666} N5 6121 -1 7 {} N 0.0 {0.484683 0.669611 0.590831} N6 6122 -1 7 {} N 0.0 {0.526649 0.736765 0.549718} N7 6123 -1 8 {} O 0.0 {0.473543 0.418562 0.675887} O3 6124 -1 6 {} C 0.0 {0.473755 0.387167 0.659989} C1 6125 -1 8 {} O 0.0 {0.480904 0.414944 0.649662} O4 6126 -1 7 {} N 0.0 {0.482796 0.40994 0.708258} N8 6127 -1 8 {} O 0.0 {0.516425 0.47254 0.630483} O5 6128 -1 1 {} H 0.0 {0.500256 0.407872 0.688818} H1 6129 -1 1 {} H 0.0 {0.530782 0.398653 0.693297} H2 6130 -1 1 {} H 0.0 {0.58715 0.283668 0.581365} H3 6131 -1 1 {} H 0.0 {0.588195 0.296065 0.591424} H4 6132 -1 1 {} H 0.0 {0.565622 0.710578 0.516346} H5 6133 -1 1 {} H 0.0 {0.535058 0.356746 0.5807} H6 6134 -1 1 {} H 0.0 {0.557421 0.708202 0.476408} H7 6135 -1 1 {} H 0.0 {0.570565 0.716251 0.482191} H8 6136 -1 1 {} H 0.0 {0.548869 0.727407 0.523607} H9 6137 -1 1 {} H 0.0 {0.535443 0.7222 0.530198} H10 6138 -1 1 {} H 0.0 {0.478756 0.661456 0.590762} H11 6139 -1 1 {} H 0.0 {0.485557 0.672748 0.600414} H12 6140 -1 1 {} H 0.0 {0.492655 0.586276 0.664426} H13 6141 -1 1 {} H 0.0 {0.516948 0.740034 0.551028} H14 6142 -1 1 {} H 0.0 {0.4729 0.416508 0.687253} H15 6143 -1 1 {} H 0.0 {0.463786 0.385484 0.662986} H16 6144 -1 1 {} H 0.0 {0.480456 0.380181 0.665279} H17 6145 -1 1 {} H 0.0 {0.475887 0.384683 0.64324} H18 6146 -1 1 {} H 0.0 {0.482523 0.411327 0.64053} H19 6147 -1 1 {} H 0.0 {0.489864 0.361859 0.320832} H20 6148 -1 1 {} H 0.0 {0.482449 0.409457 0.71873} H21 6149 -1 1 {} H 0.0 {0.487354 0.572558 0.20422} H22 6150 -1 14 {} Si 0.0 {0.744216 0.559412 0.399221} Si1 6151 -1 8 {} O 0.0 {0.735696 0.567539 0.41089} O1 6152 -1 14 {} Si 0.0 {0.721232 0.572559 0.414312} Si2 6153 -1 8 {} O 0.0 {0.718851 0.586865 0.421444} O2 6154 -1 14 {} Si 0.0 {0.71529 0.594948 0.434589} Si3 6155 -1 7 {} N 0.0 {0.707907 0.609557 0.433657} N1 6156 -1 14 {} Si 0.0 {0.692229 0.607774 0.428504} Si4 6157 -1 14 {} Si 0.0 {0.712641 0.628589 0.437361} Si5 6158 -1 7 {} N 0.0 {0.6897 0.591964 0.418344} N2 6159 -1 7 {} N 0.0 {0.689702 0.622883 0.416239} N3 6160 -1 7 {} N 0.0 {0.679778 0.610924 0.442121} N4 6161 -1 7 {} N 0.0 {0.722861 0.626271 0.45373} N5 6162 -1 7 {} N 0.0 {0.720023 0.636262 0.425593} N6 6163 -1 7 {} N 0.0 {0.697331 0.639106 0.443168} N7 6164 -1 8 {} O 0.0 {0.419538 0.519224 0.339453} O3 6165 -1 6 {} C 0.0 {0.739477 0.543297 0.393832} C1 6166 -1 8 {} O 0.0 {0.475453 0.654551 0.311413} O4 6167 -1 7 {} N 0.0 {0.698816 0.466846 0.556732} N8 6168 -1 8 {} O 0.0 {0.709999 0.582839 0.443174} O5 6169 -1 1 {} H 0.0 {0.712132 0.560265 0.423214} H1 6170 -1 1 {} H 0.0 {0.717785 0.645739 0.422729} H2 6171 -1 1 {} H 0.0 {0.698938 0.587422 0.418827} H3 6172 -1 1 {} H 0.0 {0.689013 0.595695 0.409092} H4 6173 -1 1 {} H 0.0 {0.679681 0.622681 0.418273} H5 6174 -1 1 {} H 0.0 {0.698288 0.627274 0.415571} H6 6175 -1 1 {} H 0.0 {0.676171 0.601519 0.442503} H7 6176 -1 1 {} H 0.0 {0.685438 0.610926 0.45082} H8 6177 -1 1 {} H 0.0 {0.731689 0.629757 0.450296} H9 6178 -1 1 {} H 0.0 {0.722409 0.616174 0.453597} H10 6179 -1 1 {} H 0.0 {0.471874 0.450338 0.352966} H11 6180 -1 1 {} H 0.0 {0.474564 0.451186 0.34553} H12 6181 -1 1 {} H 0.0 {0.690564 0.636777 0.435959} H13 6182 -1 1 {} H 0.0 {0.694137 0.634164 0.451568} H14 6183 -1 1 {} H 0.0 {0.725447 0.560911 0.370403} H15 6184 -1 1 {} H 0.0 {0.740125 0.536236 0.402675} H16 6185 -1 1 {} H 0.0 {0.729805 0.544241 0.389949} H17 6186 -1 1 {} H 0.0 {0.381198 0.556528 0.295268} H18 6187 -1 1 {} H 0.0 {0.462066 0.676968 0.357006} H19 6188 -1 1 {} H 0.0 {0.688959 0.466866 0.558692} H20 6189 -1 1 {} H 0.0 {0.702648 0.46219 0.565292} H21 6190 -1 1 {} H 0.0 {0.712535 0.573974 0.441734} H22 6191 -1 14 {} Si 0.0 {0.586357 0.419237 0.615004} Si1 6192 -1 8 {} O 0.0 {0.574974 0.415314 0.604991} O1 6193 -1 14 {} Si 0.0 {0.567332 0.407968 0.593259} Si2 6194 -1 8 {} O 0.0 {0.567319 0.414613 0.578822} O2 6195 -1 14 {} Si 0.0 {0.574943 0.435119 0.554468} Si3 6196 -1 7 {} N 0.0 {0.581649 0.449002 0.566552} N1 6197 -1 14 {} Si 0.0 {0.598348 0.439721 0.568542} Si4 6198 -1 14 {} Si 0.0 {0.585205 0.456917 0.579934} Si5 6199 -1 7 {} N 0.0 {0.602686 0.447248 0.586547} N2 6200 -1 7 {} N 0.0 {0.608969 0.445117 0.552894} N3 6201 -1 7 {} N 0.0 {0.596954 0.420641 0.571878} N4 6202 -1 7 {} N 0.0 {0.523673 0.537183 0.559646} N5 6203 -1 7 {} N 0.0 {0.590077 0.475892 0.578044} N6 6204 -1 7 {} N 0.0 {0.571713 0.454701 0.593704} N7 6205 -1 8 {} O 0.0 {0.600955 0.412283 0.60237} O3 6206 -1 6 {} C 0.0 {0.584638 0.413525 0.632653} C1 6207 -1 8 {} O 0.0 {0.587891 0.434339 0.611169} O4 6208 -1 7 {} N 0.0 {0.561428 0.446217 0.542902} N8 6209 -1 8 {} O 0.0 {0.585218 0.424696 0.547818} O5 6210 -1 1 {} H 0.0 {0.552104 0.404908 0.597396} H1 6211 -1 1 {} H 0.0 {0.574942 0.39346 0.590871} H2 6212 -1 1 {} H 0.0 {0.609613 0.455895 0.586182} H3 6213 -1 1 {} H 0.0 {0.597541 0.444036 0.594967} H4 6214 -1 1 {} H 0.0 {0.606594 0.438943 0.545489} H5 6215 -1 1 {} H 0.0 {0.605142 0.454297 0.550709} H6 6216 -1 1 {} H 0.0 {0.586907 0.420702 0.574428} H7 6217 -1 1 {} H 0.0 {0.596619 0.4175 0.561658} H8 6218 -1 1 {} H 0.0 {0.528121 0.531931 0.5675} H9 6219 -1 1 {} H 0.0 {0.530695 0.538251 0.551978} H10 6220 -1 1 {} H 0.0 {0.516935 0.531042 0.554968} H11 6221 -1 1 {} H 0.0 {0.594289 0.474484 0.568674} H12 6222 -1 1 {} H 0.0 {0.56461 0.460318 0.589885} H13 6223 -1 1 {} H 0.0 {0.574939 0.458478 0.602349} H14 6224 -1 1 {} H 0.0 {0.599697 0.416779 0.59395} H15 6225 -1 1 {} H 0.0 {0.592456 0.406811 0.635509} H16 6226 -1 1 {} H 0.0 {0.574422 0.410605 0.633931} H17 6227 -1 1 {} H 0.0 {0.586797 0.422785 0.637557} H18 6228 -1 1 {} H 0.0 {0.58134 0.436816 0.604719} H19 6229 -1 1 {} H 0.0 {0.560869 0.438228 0.535984} H20 6230 -1 1 {} H 0.0 {0.567349 0.452794 0.537791} H21 6231 -1 1 {} H 0.0 {0.591112 0.428347 0.540672} H22 6232 -1 14 {} Si 0.0 {0.426439 0.479882 0.616275} Si1 6233 -1 8 {} O 0.0 {0.410569 0.481064 0.613994} O1 6234 -1 14 {} Si 0.0 {0.395529 0.479045 0.615772} Si2 6235 -1 8 {} O 0.0 {0.393031 0.468868 0.627683} O2 6236 -1 14 {} Si 0.0 {0.394533 0.453986 0.632593} Si3 6237 -1 7 {} N 0.0 {0.404363 0.449857 0.648332} N1 6238 -1 14 {} Si 0.0 {0.399135 0.45609 0.662991} Si4 6239 -1 14 {} Si 0.0 {0.416926 0.439893 0.653165} Si5 6240 -1 7 {} N 0.0 {0.387812 0.471079 0.657311} N2 6241 -1 7 {} N 0.0 {0.413403 0.463244 0.674419} N3 6242 -1 7 {} N 0.0 {0.389028 0.442895 0.672453} N4 6243 -1 7 {} N 0.0 {0.412672 0.422772 0.645959} N5 6244 -1 7 {} N 0.0 {0.433069 0.44488 0.64632} N6 6245 -1 7 {} N 0.0 {0.418126 0.433555 0.672199} N7 6246 -1 8 {} O 0.0 {0.426031 0.486467 0.631851} O3 6247 -1 6 {} C 0.0 {0.438271 0.488299 0.602807} C1 6248 -1 8 {} O 0.0 {0.426308 0.464376 0.620476} O4 6249 -1 7 {} N 0.0 {0.405046 0.44238 0.62139} N8 6250 -1 8 {} O 0.0 {0.379618 0.44939 0.629149} O5 6251 -1 1 {} H 0.0 {0.390789 0.474156 0.604043} H1 6252 -1 1 {} H 0.0 {0.380134 0.487771 0.641734} H2 6253 -1 1 {} H 0.0 {0.39296 0.478809 0.662187} H3 6254 -1 1 {} H 0.0 {0.389777 0.471279 0.647681} H4 6255 -1 1 {} H 0.0 {0.408696 0.469031 0.681261} H5 6256 -1 1 {} H 0.0 {0.418868 0.470674 0.669137} H6 6257 -1 1 {} H 0.0 {0.390556 0.435624 0.665666} H7 6258 -1 1 {} H 0.0 {0.379313 0.443668 0.673861} H8 6259 -1 1 {} H 0.0 {0.41678 0.416765 0.652039} H9 6260 -1 1 {} H 0.0 {0.402971 0.424002 0.645231} H10 6261 -1 1 {} H 0.0 {0.436092 0.43635 0.64205} H11 6262 -1 1 {} H 0.0 {0.432889 0.452092 0.639231} H12 6263 -1 1 {} H 0.0 {0.411209 0.439763 0.676444} H13 6264 -1 1 {} H 0.0 {0.426587 0.437466 0.676569} H14 6265 -1 1 {} H 0.0 {0.427591 0.495878 0.63189} H15 6266 -1 1 {} H 0.0 {0.433311 0.488595 0.594101} H16 6267 -1 1 {} H 0.0 {0.446995 0.482249 0.604114} H17 6268 -1 1 {} H 0.0 {0.440529 0.497946 0.607211} H18 6269 -1 1 {} H 0.0 {0.416979 0.461109 0.620622} H19 6270 -1 1 {} H 0.0 {0.398007 0.435775 0.61798} H20 6271 -1 1 {} H 0.0 {0.409981 0.437248 0.628336} H21 6272 -1 1 {} H 0.0 {0.374031 0.450063 0.637217} H22 6273 -1 14 {} Si 0.0 {0.504587 0.515238 0.618469} Si1 6274 -1 8 {} O 0.0 {0.489313 0.509959 0.622108} O1 6275 -1 14 {} Si 0.0 {0.466644 0.498874 0.639656} Si2 6276 -1 8 {} O 0.0 {0.458641 0.500843 0.625616} O2 6277 -1 14 {} Si 0.0 {0.457229 0.472918 0.649391} Si3 6278 -1 7 {} N 0.0 {0.46859 0.467319 0.665019} N1 6279 -1 14 {} Si 0.0 {0.479635 0.479319 0.667942} Si4 6280 -1 14 {} Si 0.0 {0.466833 0.451682 0.669288} Si5 6281 -1 7 {} N 0.0 {0.49578 0.474467 0.673874} N2 6282 -1 7 {} N 0.0 {0.472822 0.493256 0.68175} N3 6283 -1 7 {} N 0.0 {0.482281 0.491404 0.65187} N4 6284 -1 7 {} N 0.0 {0.481198 0.446503 0.681447} N5 6285 -1 7 {} N 0.0 {0.448689 0.448621 0.675305} N6 6286 -1 7 {} N 0.0 {0.468758 0.440231 0.653607} N7 6287 -1 8 {} O 0.0 {0.53015 0.509174 0.61074} O3 6288 -1 6 {} C 0.0 {0.519903 0.511058 0.624561} C1 6289 -1 8 {} O 0.0 {0.538766 0.522679 0.656516} O4 6290 -1 7 {} N 0.0 {0.550106 0.532401 0.536175} N8 6291 -1 8 {} O 0.0 {0.460937 0.463776 0.637293} O5 6292 -1 1 {} H 0.0 {0.461341 0.485166 0.644546} H1 6293 -1 1 {} H 0.0 {0.603243 0.558614 0.600979} H2 6294 -1 1 {} H 0.0 {0.499055 0.476966 0.682987} H3 6295 -1 1 {} H 0.0 {0.504455 0.474348 0.667654} H4 6296 -1 1 {} H 0.0 {0.467097 0.486527 0.686711} H5 6297 -1 1 {} H 0.0 {0.480908 0.494519 0.687948} H6 6298 -1 1 {} H 0.0 {0.487904 0.490041 0.643039} H7 6299 -1 1 {} H 0.0 {0.484475 0.500977 0.655994} H8 6300 -1 1 {} H 0.0 {0.475866 0.444959 0.689884} H9 6301 -1 1 {} H 0.0 {0.485091 0.455988 0.682124} H10 6302 -1 1 {} H 0.0 {0.443622 0.443109 0.668301} H11 6303 -1 1 {} H 0.0 {0.444402 0.457935 0.675214} H12 6304 -1 1 {} H 0.0 {0.459837 0.434319 0.653058} H13 6305 -1 1 {} H 0.0 {0.475538 0.433468 0.656341} H14 6306 -1 1 {} H 0.0 {0.531912 0.518585 0.608238} H15 6307 -1 1 {} H 0.0 {0.5194 0.501534 0.630528} H16 6308 -1 1 {} H 0.0 {0.536684 0.537091 0.694109} H17 6309 -1 1 {} H 0.0 {0.523921 0.518165 0.63133} H18 6310 -1 1 {} H 0.0 {0.529219 0.524622 0.653167} H19 6311 -1 1 {} H 0.0 {0.549168 0.522339 0.535718} H20 6312 -1 1 {} H 0.0 {0.55961 0.534545 0.532919} H21 6313 -1 1 {} H 0.0 {0.4646 0.455037 0.640812} H22 6314 -1 14 {} Si 0.0 {0.396036 0.340294 0.385894} Si1 6315 -1 8 {} O 0.0 {0.380832 0.360655 0.361321} O1 6316 -1 14 {} Si 0.0 {0.69228 0.326411 0.533155} Si2 6317 -1 8 {} O 0.0 {0.678804 0.332329 0.52719} O2 6318 -1 14 {} Si 0.0 {0.663732 0.333852 0.523176} Si3 6319 -1 7 {} N 0.0 {0.653104 0.322044 0.513193} N1 6320 -1 14 {} Si 0.0 {0.642114 0.322883 0.500662} Si4 6321 -1 14 {} Si 0.0 {0.65781 0.306029 0.513768} Si5 6322 -1 7 {} N 0.0 {0.651054 0.33247 0.486669} N2 6323 -1 7 {} N 0.0 {0.626347 0.332136 0.510226} N3 6324 -1 7 {} N 0.0 {0.635238 0.305222 0.493416} N4 6325 -1 7 {} N 0.0 {0.664413 0.300356 0.532638} N5 6326 -1 7 {} N 0.0 {0.642511 0.292715 0.514756} N6 6327 -1 7 {} N 0.0 {0.669657 0.299018 0.499902} N7 6328 -1 8 {} O 0.0 {0.383088 0.342786 0.377661} O3 6329 -1 6 {} C 0.0 {0.379456 0.300161 0.395533} C1 6330 -1 8 {} O 0.0 {0.695184 0.334934 0.561363} O4 6331 -1 7 {} N 0.0 {0.661776 0.34991 0.5128} N8 6332 -1 8 {} O 0.0 {0.658642 0.337302 0.537922} O5 6333 -1 1 {} H 0.0 {0.694908 0.331159 0.549678} H1 6334 -1 1 {} H 0.0 {0.69204 0.306403 0.539203} H2 6335 -1 1 {} H 0.0 {0.65974 0.326557 0.486498} H3 6336 -1 1 {} H 0.0 {0.655059 0.340276 0.491895} H4 6337 -1 1 {} H 0.0 {0.627007 0.341424 0.506174} H5 6338 -1 1 {} H 0.0 {0.618064 0.327973 0.505409} H6 6339 -1 1 {} H 0.0 {0.644874 0.300687 0.492311} H7 6340 -1 1 {} H 0.0 {0.632039 0.30695 0.483534} H8 6341 -1 1 {} H 0.0 {0.673003 0.30655 0.53304} H9 6342 -1 1 {} H 0.0 {0.667191 0.290354 0.530988} H10 6343 -1 1 {} H 0.0 {0.639117 0.294394 0.524454} H11 6344 -1 1 {} H 0.0 {0.648809 0.284253 0.516108} H12 6345 -1 1 {} H 0.0 {0.61934 0.30294 0.532292} H13 6346 -1 1 {} H 0.0 {0.667747 0.304722 0.492292} H14 6347 -1 1 {} H 0.0 {0.382119 0.292699 0.388764} H15 6348 -1 1 {} H 0.0 {0.362963 0.348528 0.37925} H16 6349 -1 1 {} H 0.0 {0.400383 0.332331 0.407851} H17 6350 -1 1 {} H 0.0 {0.720779 0.347064 0.434517} H18 6351 -1 1 {} H 0.0 {0.693855 0.345185 0.560625} H19 6352 -1 1 {} H 0.0 {0.670039 0.350604 0.506677} H20 6353 -1 1 {} H 0.0 {0.661309 0.35871 0.518549} H21 6354 -1 1 {} H 0.0 {0.659711 0.34737 0.539704} H22 6355 -1 14 {} Si 0.0 {0.56077 0.47103 0.630002} Si1 6356 -1 8 {} O 0.0 {0.557711 0.485956 0.625512} O1 6357 -1 14 {} Si 0.0 {0.554604 0.501046 0.622705} Si2 6358 -1 8 {} O 0.0 {0.55708 0.508915 0.636744} O2 6359 -1 14 {} Si 0.0 {0.572529 0.511259 0.634171} Si3 6360 -1 7 {} N 0.0 {0.587478 0.501102 0.640785} N1 6361 -1 14 {} Si 0.0 {0.595533 0.508603 0.654841} Si4 6362 -1 14 {} Si 0.0 {0.599712 0.492223 0.63382} Si5 6363 -1 7 {} N 0.0 {0.604497 0.523146 0.649621} N2 6364 -1 7 {} N 0.0 {0.60851 0.500168 0.666471} N3 6365 -1 7 {} N 0.0 {0.58152 0.512407 0.665136} N4 6366 -1 7 {} N 0.0 {0.618751 0.49856 0.63397} N5 6367 -1 7 {} N 0.0 {0.599082 0.47348 0.640488} N6 6368 -1 7 {} N 0.0 {0.594174 0.490088 0.616963} N7 6369 -1 8 {} O 0.0 {0.57357 0.467822 0.620783} O3 6370 -1 6 {} C 0.0 {0.546228 0.458426 0.632137} C1 6371 -1 8 {} O 0.0 {0.569314 0.474712 0.643905} O4 6372 -1 7 {} N 0.0 {0.576103 0.529984 0.637319} N8 6373 -1 8 {} O 0.0 {0.56999 0.510485 0.613011} O5 6374 -1 1 {} H 0.0 {0.539483 0.505785 0.615009} H1 6375 -1 1 {} H 0.0 {0.544208 0.53638 0.528461} H2 6376 -1 1 {} H 0.0 {0.596696 0.530365 0.647365} H3 6377 -1 1 {} H 0.0 {0.609282 0.526976 0.657283} H4 6378 -1 1 {} H 0.0 {0.60242 0.494717 0.672599} H5 6379 -1 1 {} H 0.0 {0.611576 0.493263 0.659572} H6 6380 -1 1 {} H 0.0 {0.575663 0.504233 0.66482} H7 6381 -1 1 {} H 0.0 {0.58641 0.510957 0.674164} H8 6382 -1 1 {} H 0.0 {0.616871 0.507785 0.638264} H9 6383 -1 1 {} H 0.0 {0.62025 0.500748 0.623684} H10 6384 -1 1 {} H 0.0 {0.594141 0.470272 0.631852} H11 6385 -1 1 {} H 0.0 {0.590776 0.474675 0.646867} H12 6386 -1 1 {} H 0.0 {0.586451 0.496657 0.615392} H13 6387 -1 1 {} H 0.0 {0.602775 0.493159 0.611616} H14 6388 -1 1 {} H 0.0 {0.577934 0.476791 0.618698} H15 6389 -1 1 {} H 0.0 {0.53709 0.461464 0.627973} H16 6390 -1 1 {} H 0.0 {0.545091 0.45736 0.643042} H17 6391 -1 1 {} H 0.0 {0.549262 0.449375 0.627192} H18 6392 -1 1 {} H 0.0 {0.572958 0.483737 0.642912} H19 6393 -1 1 {} H 0.0 {0.575635 0.530486 0.647383} H20 6394 -1 1 {} H 0.0 {0.569172 0.536222 0.633768} H21 6395 -1 1 {} H 0.0 {0.566257 0.519358 0.610956} H22 6396 -1 14 {} Si 0.0 {0.312339 0.385799 0.623201} Si1 6397 -1 8 {} O 0.0 {0.318426 0.396049 0.63272} O1 6398 -1 14 {} Si 0.0 {0.322936 0.402836 0.646369} Si2 6399 -1 8 {} O 0.0 {0.334778 0.394866 0.651978} O2 6400 -1 14 {} Si 0.0 {0.342339 0.386755 0.662477} Si3 6401 -1 7 {} N 0.0 {0.359247 0.394098 0.668988} N1 6402 -1 14 {} Si 0.0 {0.365841 0.409119 0.667672} Si4 6403 -1 14 {} Si 0.0 {0.366259 0.385618 0.68144} Si5 6404 -1 7 {} N 0.0 {0.352852 0.420376 0.66036} N2 6405 -1 7 {} N 0.0 {0.381584 0.409972 0.655795} N3 6406 -1 7 {} N 0.0 {0.370272 0.416171 0.684644} N4 6407 -1 7 {} N 0.0 {0.384981 0.386668 0.68618} N5 6408 -1 7 {} N 0.0 {0.356508 0.386537 0.697796} N6 6409 -1 7 {} N 0.0 {0.363884 0.366926 0.677633} N7 6410 -1 8 {} O 0.0 {0.359676 0.368084 0.611056} O3 6411 -1 6 {} C 0.0 {0.324268 0.37496 0.614241} C1 6412 -1 8 {} O 0.0 {0.302247 0.379203 0.634055} O4 6413 -1 7 {} N 0.0 {0.34794 0.371325 0.653557} N8 6414 -1 8 {} O 0.0 {0.332044 0.387998 0.673492} O5 6415 -1 1 {} H 0.0 {0.292609 0.407679 0.674764} H1 6416 -1 1 {} H 0.0 {0.33157 0.420872 0.654793} H2 6417 -1 1 {} H 0.0 {0.347878 0.42329 0.668867} H3 6418 -1 1 {} H 0.0 {0.34689 0.413658 0.655719} H4 6419 -1 1 {} H 0.0 {0.386809 0.416074 0.661613} H5 6420 -1 1 {} H 0.0 {0.377111 0.415116 0.648979} H6 6421 -1 1 {} H 0.0 {0.377416 0.423043 0.682572} H7 6422 -1 1 {} H 0.0 {0.3752 0.408262 0.688331} H8 6423 -1 1 {} H 0.0 {0.387551 0.377774 0.681735} H9 6424 -1 1 {} H 0.0 {0.388115 0.393057 0.679375} H10 6425 -1 1 {} H 0.0 {0.352446 0.395755 0.694883} H11 6426 -1 1 {} H 0.0 {0.348938 0.379781 0.697599} H12 6427 -1 1 {} H 0.0 {0.354344 0.36652 0.674913} H13 6428 -1 1 {} H 0.0 {0.364482 0.363613 0.687264} H14 6429 -1 1 {} H 0.0 {0.36271 0.371851 0.619642} H15 6430 -1 1 {} H 0.0 {0.323823 0.364193 0.615767} H16 6431 -1 1 {} H 0.0 {0.333676 0.378583 0.617491} H17 6432 -1 1 {} H 0.0 {0.322255 0.377786 0.603657} H18 6433 -1 1 {} H 0.0 {0.301674 0.385011 0.641435} H19 6434 -1 1 {} H 0.0 {0.358346 0.371378 0.655551} H20 6435 -1 1 {} H 0.0 {0.347598 0.37314 0.643233} H21 6436 -1 1 {} H 0.0 {0.31502 0.393986 0.667132} H22 6437 -1 14 {} Si 0.0 {0.490158 0.297595 0.354356} Si1 6438 -1 8 {} O 0.0 {0.500296 0.291404 0.343919} O1 6439 -1 14 {} Si 0.0 {0.513385 0.29299 0.33619} Si2 6440 -1 8 {} O 0.0 {0.520769 0.280451 0.341955} O2 6441 -1 14 {} Si 0.0 {0.532135 0.270817 0.346534} Si3 6442 -1 7 {} N 0.0 {0.547143 0.28067 0.353788} N1 6443 -1 14 {} Si 0.0 {0.555538 0.276555 0.366899} Si4 6444 -1 14 {} Si 0.0 {0.552622 0.293736 0.346227} Si5 6445 -1 7 {} N 0.0 {0.574762 0.281335 0.368159} N2 6446 -1 7 {} N 0.0 {0.552536 0.257965 0.36923} N3 6447 -1 7 {} N 0.0 {0.546837 0.28516 0.382943} N4 6448 -1 7 {} N 0.0 {0.555599 0.311192 0.358045} N5 6449 -1 7 {} N 0.0 {0.565799 0.290527 0.332518} N6 6450 -1 7 {} N 0.0 {0.439386 0.474769 0.656711} N7 6451 -1 8 {} O 0.0 {0.532162 0.259698 0.335508} O3 6452 -1 6 {} C 0.0 {0.492397 0.306115 0.370428} C1 6453 -1 8 {} O 0.0 {0.527022 0.308532 0.34015} O4 6454 -1 7 {} N 0.0 {0.591891 0.680302 0.0980404} N8 6455 -1 8 {} O 0.0 {0.413569 0.46052 0.718846} O5 6456 -1 1 {} H 0.0 {0.539648 0.261555 0.3297} H1 6457 -1 1 {} H 0.0 {0.511139 0.290752 0.321652} H2 6458 -1 1 {} H 0.0 {0.574938 0.291046 0.372038} H3 6459 -1 1 {} H 0.0 {0.576802 0.282608 0.358022} H4 6460 -1 1 {} H 0.0 {0.557951 0.253397 0.361865} H5 6461 -1 1 {} H 0.0 {0.557204 0.255774 0.378062} H6 6462 -1 1 {} H 0.0 {0.546226 0.277442 0.389189} H7 6463 -1 1 {} H 0.0 {0.554441 0.291171 0.386526} H8 6464 -1 1 {} H 0.0 {0.548026 0.309904 0.364727} H9 6465 -1 1 {} H 0.0 {0.551254 0.317574 0.350876} H10 6466 -1 1 {} H 0.0 {0.570614 0.299659 0.333093} H11 6467 -1 1 {} H 0.0 {0.572737 0.284792 0.337766} H12 6468 -1 1 {} H 0.0 {0.681391 0.525711 0.314415} H13 6469 -1 1 {} H 0.0 {0.437729 0.464189 0.657047} H14 6470 -1 1 {} H 0.0 {0.537139 0.302002 0.343063} H15 6471 -1 1 {} H 0.0 {0.484731 0.312942 0.3719} H16 6472 -1 1 {} H 0.0 {0.534816 0.24762 0.376482} H17 6473 -1 1 {} H 0.0 {0.491083 0.298273 0.378195} H18 6474 -1 1 {} H 0.0 {0.524356 0.312059 0.34973} H19 6475 -1 1 {} H 0.0 {0.600934 0.677803 0.102217} H20 6476 -1 1 {} H 0.0 {0.585053 0.681022 0.10595} H21 6477 -1 1 {} H 0.0 {0.487748 0.23872 0.377961} H22 6478 -1 14 {} Si 0.0 {0.419355 0.674138 0.495872} Si1 6479 -1 8 {} O 0.0 {0.417341 0.647276 0.495777} O1 6480 -1 14 {} Si 0.0 {0.405224 0.647479 0.506247} Si2 6481 -1 8 {} O 0.0 {0.412872 0.64091 0.518734} O2 6482 -1 14 {} Si 0.0 {0.424892 0.63232 0.524126} Si3 6483 -1 7 {} N 0.0 {0.4226 0.629057 0.543528} N1 6484 -1 14 {} Si 0.0 {0.434273 0.63099 0.554337} Si4 6485 -1 14 {} Si 0.0 {0.407306 0.625019 0.547283} Si5 6486 -1 7 {} N 0.0 {0.451481 0.621843 0.54862} N2 6487 -1 7 {} N 0.0 {0.43216 0.62274 0.571579} N3 6488 -1 7 {} N 0.0 {0.438964 0.649299 0.559286} N4 6489 -1 7 {} N 0.0 {0.403224 0.618569 0.565321} N5 6490 -1 7 {} N 0.0 {0.394545 0.640636 0.542024} N6 6491 -1 7 {} N 0.0 {0.401908 0.610392 0.536701} N7 6492 -1 8 {} O 0.0 {0.410312 0.677362 0.509156} O3 6493 -1 6 {} C 0.0 {0.413825 0.677849 0.478521} C1 6494 -1 8 {} O 0.0 {0.433982 0.678428 0.502103} O4 6495 -1 7 {} N 0.0 {0.441814 0.642204 0.524066} N8 6496 -1 8 {} O 0.0 {0.424338 0.618401 0.517429} O5 6497 -1 1 {} H 0.0 {0.405153 0.663025 0.510069} H1 6498 -1 1 {} H 0.0 {0.420035 0.657466 0.49472} H2 6499 -1 1 {} H 0.0 {0.451163 0.623527 0.538468} H3 6500 -1 1 {} H 0.0 {0.449165 0.611806 0.550186} H4 6501 -1 1 {} H 0.0 {0.43544 0.613496 0.569904} H5 6502 -1 1 {} H 0.0 {0.439319 0.627225 0.577764} H6 6503 -1 1 {} H 0.0 {0.429883 0.653636 0.559218} H7 6504 -1 1 {} H 0.0 {0.440768 0.647646 0.569464} H8 6505 -1 1 {} H 0.0 {0.405348 0.608442 0.563499} H9 6506 -1 1 {} H 0.0 {0.411197 0.622199 0.570669} H10 6507 -1 1 {} H 0.0 {0.401831 0.642975 0.535334} H11 6508 -1 1 {} H 0.0 {0.39603 0.647203 0.549804} H12 6509 -1 1 {} H 0.0 {0.407238 0.609843 0.528307} H13 6510 -1 1 {} H 0.0 {0.392599 0.613634 0.532868} H14 6511 -1 1 {} H 0.0 {0.415623 0.678867 0.517665} H15 6512 -1 1 {} H 0.0 {0.414736 0.688476 0.477577} H16 6513 -1 1 {} H 0.0 {0.404623 0.67434 0.475581} H17 6514 -1 1 {} H 0.0 {0.421318 0.67337 0.472238} H18 6515 -1 1 {} H 0.0 {0.433826 0.679605 0.511893} H19 6516 -1 1 {} H 0.0 {0.439994 0.6504 0.518469} H20 6517 -1 1 {} H 0.0 {0.442318 0.645522 0.533751} H21 6518 -1 1 {} H 0.0 {0.428551 0.617423 0.508981} H22 6519 -1 14 {} Si 0.0 {0.394581 0.429273 0.525405} Si1 6520 -1 8 {} O 0.0 {0.385901 0.439557 0.533201} O1 6521 -1 14 {} Si 0.0 {0.374953 0.450009 0.53703} Si2 6522 -1 8 {} O 0.0 {0.375827 0.456213 0.551598} O2 6523 -1 14 {} Si 0.0 {0.381313 0.468073 0.561331} Si3 6524 -1 7 {} N 0.0 {0.369593 0.479619 0.564557} N1 6525 -1 14 {} Si 0.0 {0.356515 0.488924 0.56546} Si4 6526 -1 14 {} Si 0.0 {0.391141 0.539933 0.579721} Si5 6527 -1 7 {} N 0.0 {0.886365 0.324728 0.826948} N2 6528 -1 7 {} N 0.0 {0.334727 0.513802 0.604537} N3 6529 -1 7 {} N 0.0 {0.366096 0.527127 0.610711} N4 6530 -1 7 {} N 0.0 {0.388327 0.545599 0.594939} N5 6531 -1 7 {} N 0.0 {0.334958 0.640448 0.577831} N6 6532 -1 7 {} N 0.0 {0.508734 0.511986 0.730892} N7 6533 -1 8 {} O 0.0 {0.324882 0.507999 0.48652} O3 6534 -1 6 {} C 0.0 {0.395765 0.44746 0.498706} C1 6535 -1 8 {} O 0.0 {0.383403 0.417787 0.526418} O4 6536 -1 7 {} N 0.0 {0.396938 0.476952 0.554818} N8 6537 -1 8 {} O 0.0 {0.386616 0.45784 0.572591} O5 6538 -1 1 {} H 0.0 {0.359724 0.44382 0.534189} H1 6539 -1 1 {} H 0.0 {0.379005 0.461411 0.527621} H2 6540 -1 1 {} H 0.0 {0.889871 0.32736 0.836079} H3 6541 -1 1 {} H 0.0 {0.877365 0.32886 0.824519} H4 6542 -1 1 {} H 0.0 {0.32834 0.52042 0.599221} H5 6543 -1 1 {} H 0.0 {0.344105 0.518222 0.604015} H6 6544 -1 1 {} H 0.0 {0.361982 0.529193 0.601371} H7 6545 -1 1 {} H 0.0 {0.372719 0.535188 0.611924} H8 6546 -1 1 {} H 0.0 {0.62035 0.286737 0.358035} H9 6547 -1 1 {} H 0.0 {0.387478 0.47593 0.477343} H10 6548 -1 1 {} H 0.0 {0.405008 0.45601 0.721271} H11 6549 -1 1 {} H 0.0 {0.40744 0.575368 0.635703} H12 6550 -1 1 {} H 0.0 {0.515926 0.516092 0.724965} H13 6551 -1 1 {} H 0.0 {0.505159 0.50467 0.725239} H14 6552 -1 1 {} H 0.0 {0.320722 0.499193 0.488737} H15 6553 -1 1 {} H 0.0 {0.400389 0.444947 0.489207} H16 6554 -1 1 {} H 0.0 {0.395012 0.434799 0.509342} H17 6555 -1 1 {} H 0.0 {0.400334 0.455274 0.503378} H18 6556 -1 1 {} H 0.0 {0.387319 0.40983 0.531156} H19 6557 -1 1 {} H 0.0 {0.402611 0.474133 0.547257} H20 6558 -1 1 {} H 0.0 {0.40283 0.47802 0.563279} H21 6559 -1 1 {} H 0.0 {0.379146 0.456897 0.578734} 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 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{0 0 0} 0 5034 1069 1070 {0 0 0} 0 5035 4853 3364 {0 0 0} 0 5036 576 575 {0 0 0} 0 5037 905 904 {0 0 0} 0 5038 2640 967 {0 0 0} 0 5039 212 210 {0 0 0} 0 5040 1491 5628 {0 0 0} 0 5041 2712 2716 {0 0 0} 0 5042 330 329 {0 0 0} 0 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 ? {} {} {} {}}} } } }