job.id 256 job.name {Contine Job 248, 125 X (TMOS + 4*H) NVT 1000ps step=0.2fs, 573K} job.description { } job.status finished job.submitted {2024-11-24 12:29:53} job.started {2024-11-24 12:29:53} job.finished {2024-11-25 04:06:10} job.queue 10 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-7006dedd-b8ca-4ba7-8ebe-eaa28db8e06c MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-7006dedd-b8ca-4ba7-8ebe-eaa28db8e06c Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6 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-ce73ed80-61f9-46d8-af48-85e40770f39b MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVT { Class ::MD::LAMMPS::Stage::NVT Version 1.2 Id md-lammps-stage-ce73ed80-61f9-46d8-af48-85e40770f39b Options {-finaltemperature {$T} -trajectorysampling {10 ps} -timestep {$tstep} -langevin_damping {100.0 fs} -langevin_seed 53 -nose_hoover_drag 0.0 -nose_hoover_damping {100.0 fs} -time {1000 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-bf7de0a2-2541-412b-8017-e536ec8335f7 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-bf7de0a2-2541-412b-8017-e536ec8335f7 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 {$system} -workingdirectory .} } md-lammps-stage-3381e9a1-ee09-4322-bddb-f09be73d1692 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-3381e9a1-ee09-4322-bddb-f09be73d1692 Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-start-bf7de0a2-2541-412b-8017-e536ec8335f7 out} in,anchor n} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } } Connections { md-lammps-stage-3381e9a1-ee09-4322-bddb-f09be73d1692,md-lammps-stage-ce73ed80-61f9-46d8-af48-85e40770f39b 1 md-stage-start-bf7de0a2-2541-412b-8017-e536ec8335f7,md-lammps-stage-3381e9a1-ee09-4322-bddb-f09be73d1692 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-circle1-f24ff223-84e8-44c0-9f4c-7bea46413135 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-f24ff223-84e8-44c0-9f4c-7bea46413135 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-bf7de0a2-2541-412b-8017-e536ec8335f7} } md-flowchart-rectangle-7ad365c1-f2c4-4c2e-a66a-521c15450987 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-7ad365c1-f2c4-4c2e-a66a-521c15450987 Options {-height 120 -selected 0 -description {Temp: $T Time: 1000 ps Step: $tstep Control: Nose-Hoover Sampling: 10000 samples Trajectory: 10 ps} -fill LightBlue -x 110 -width 160 -y 234 -title NVT -stage md-lammps-stage-ce73ed80-61f9-46d8-af48-85e40770f39b} } md-flowchart-oval-092ce0f6-8d0f-47fd-b527-7647455c932f ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-092ce0f6-8d0f-47fd-b527-7647455c932f Options {-height 120 -selected 0 -description {3-d periodic Using ReaxFF potential Run LAMMPS on GPU} -fill LightBlue -x 110 -width 160 -y 94 -title Initialize -stage md-lammps-stage-3381e9a1-ee09-4322-bddb-f09be73d1692} } } Connections { md-flowchart-circle1-f24ff223-84e8-44c0-9f4c-7bea46413135,md-flowchart-oval-092ce0f6-8d0f-47fd-b527-7647455c932f 46 md-flowchart-oval-092ce0f6-8d0f-47fd-b527-7647455c932f,md-flowchart-rectangle-7ad365c1-f2c4-4c2e-a66a-521c15450987 52 } } } } md-stage-start-97daada6-7b24-4754-86b8-257db342534f {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-97daada6-7b24-4754-86b8-257db342534f Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6 Options {-data {{tstep 0.2 fs} {T 573 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-stage-start-97daada6-7b24-4754-86b8-257db342534f,md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6 1 md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6,md-lammps-stage-7006dedd-b8ca-4ba7-8ebe-eaa28db8e06c 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-oval-b6f0a49d-aec7-4f9e-a7b6-ff7ac7332df0 ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-b6f0a49d-aec7-4f9e-a7b6-ff7ac7332df0 Options {-height 120 -selected 0 -description {tstep = 0.2 fs T = 573 K P = 0 atm} -fill #e6eb7a -x 108 -width 160 -y 93 -title Variables -stage md-stage-variables-d176de98-fa24-4f1d-b90e-872580b495e6} } md-flowchart-rectangle-c0b306b9-fe12-4e6f-8444-2a70a00497a6 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-c0b306b9-fe12-4e6f-8444-2a70a00497a6 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 110 -width 160 -y 244 -title LAMMPS -stage md-lammps-stage-7006dedd-b8ca-4ba7-8ebe-eaa28db8e06c} } md-flowchart-circle1-ffae1e2b-0d1f-4f8e-9d74-e55c9f8aab9f ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-ffae1e2b-0d1f-4f8e-9d74-e55c9f8aab9f Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-97daada6-7b24-4754-86b8-257db342534f} } } Connections { md-flowchart-oval-b6f0a49d-aec7-4f9e-a7b6-ff7ac7332df0,md-flowchart-rectangle-c0b306b9-fe12-4e6f-8444-2a70a00497a6 66 md-flowchart-circle1-ffae1e2b-0d1f-4f8e-9d74-e55c9f8aab9f,md-flowchart-oval-b6f0a49d-aec7-4f9e-a7b6-ff7ac7332df0 54 } } } 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 Untitled_5x5x5 @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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} Si 0.0 {0.0391785 0.342212 0.0237001} Si1 1 0.0 -1 8 {} O 0.0 {0.0117215 0.351554 0.972139} O1 2 0.0 -1 6 {} C 0.0 {0.986119 0.313573 0.990215} C1 3 0.0 -1 1 {} H 0.0 {0.957598 0.32538 0.993915} H1 4 0.0 -1 1 {} H 0.0 {0.991089 0.292166 0.969904} H2 5 0.0 -1 1 {} H 0.0 {0.986532 0.297585 0.0153473} H3 6 0.0 -1 8 {} O 0.0 {0.0714527 0.391586 0.0197151} O2 7 0.0 -1 6 {} C 0.0 {0.0273001 0.413091 0.017409} C2 8 0.0 -1 1 {} H 0.0 {0.0283172 0.427117 0.991854} H4 9 0.0 -1 1 {} H 0.0 {0.998784 0.404923 0.0166} H5 10 0.0 -1 1 {} H 0.0 {0.0277948 0.430057 0.0429709} H6 11 0.0 -1 8 {} O 0.0 {0.0678708 0.315766 0.0692426} O3 12 0.0 -1 6 {} C 0.0 {0.0207825 0.318768 0.0842714} C3 13 0.0 -1 1 {} H 0.0 {0.0310255 0.322448 0.114482} H7 14 0.0 -1 1 {} H 0.0 {0.00143893 0.343046 0.080113} H8 15 0.0 -1 1 {} H 0.0 {0.00625598 0.294076 0.0765769} H9 16 0.0 -1 8 {} O 0.0 {0.0832121 0.318928 0.992073} O4 17 0.0 -1 6 {} C 0.0 {0.118933 0.289884 0.00798854} C4 18 0.0 -1 1 {} H 0.0 {0.137161 0.306371 0.0252093} H10 19 0.0 -1 1 {} H 0.0 {0.109901 0.266795 0.0231753} H11 20 0.0 -1 1 {} H 0.0 {0.134518 0.278669 0.984991} H12 21 0.0 -1 1 {} H 0.0 {0.961206 0.490127 0.124942} H13 22 0.0 -1 1 {} H 0.0 {0.0669688 0.300009 0.978008} H14 23 0.0 -1 1 {} H 0.0 {0.027152 0.337121 0.952855} H15 24 0.0 -1 1 {} H 0.0 {0.0759491 0.389394 0.992583} H16 25 0.0 -1 14 {} Si 0.0 {0.158149 0.0847807 0.417994} Si2 26 0.0 -1 8 {} O 0.0 {0.20504 0.120736 0.415467} O5 27 0.0 -1 6 {} C 0.0 {0.177223 0.136127 0.376331} C5 28 0.0 -1 1 {} H 0.0 {0.191189 0.125572 0.352926} H17 29 0.0 -1 1 {} H 0.0 {0.147563 0.141576 0.372539} H18 30 0.0 -1 1 {} H 0.0 {0.182771 0.165364 0.383603} H19 31 0.0 -1 8 {} O 0.0 {0.125159 0.040187 0.397316} O6 32 0.0 -1 6 {} C 0.0 {0.164415 0.0285578 0.369743} C6 33 0.0 -1 1 {} H 0.0 {0.190713 0.0459231 0.366294} H20 34 0.0 -1 1 {} H 0.0 {0.174225 0.000375833 0.376719} H21 35 0.0 -1 1 {} H 0.0 {0.153929 0.0256193 0.341169} H22 36 0.0 -1 8 {} O 0.0 {0.195738 0.0451554 0.438139} O7 37 0.0 -1 6 {} C 0.0 {0.207059 0.0359837 0.485967} C7 38 0.0 -1 1 {} H 0.0 {0.197891 0.0567014 0.507892} H23 39 0.0 -1 1 {} H 0.0 {0.189502 0.0111443 0.491397} H24 40 0.0 -1 1 {} H 0.0 {0.236821 0.029559 0.489562} H25 41 0.0 -1 8 {} O 0.0 {0.132231 0.0917095 0.469679} O8 42 0.0 -1 6 {} C 0.0 {0.0926235 0.0992119 0.439677} C8 43 0.0 -1 1 {} H 0.0 {0.0732742 0.077284 0.450939} H26 44 0.0 -1 1 {} H 0.0 {0.0850154 0.129175 0.444083} H27 45 0.0 -1 1 {} H 0.0 {0.0885027 0.099622 0.408407} H28 46 0.0 -1 1 {} H 0.0 {0.0912873 0.625161 0.220601} H29 47 0.0 -1 1 {} H 0.0 {0.125661 0.0661105 0.479494} H30 48 0.0 -1 1 {} H 0.0 {0.198735 0.139172 0.434881} H31 49 0.0 -1 1 {} H 0.0 {0.128407 0.0224155 0.41767} H32 50 0.0 -1 14 {} Si 0.0 {0.0864036 0.00224434 0.542461} Si3 51 0.0 -1 8 {} O 0.0 {0.125928 0.986368 0.500271} O9 52 0.0 -1 6 {} C 0.0 {0.098935 0.94462 0.502806} C9 53 0.0 -1 1 {} H 0.0 {0.0811803 0.943845 0.479981} H33 54 0.0 -1 1 {} H 0.0 {0.121546 0.925995 0.508565} H34 55 0.0 -1 1 {} H 0.0 {0.0828282 0.93408 0.527228} H35 56 0.0 -1 8 {} O 0.0 {0.0580089 0.043865 0.513582} O10 57 0.0 -1 6 {} C 0.0 {0.0225016 0.0109905 0.529259} C10 58 0.0 -1 1 {} H 0.0 {0.0239 0.983043 0.540325} H36 59 0.0 -1 1 {} H 0.0 {0.00570723 0.0272694 0.550538} H37 60 0.0 -1 1 {} H 0.0 {0.0102551 0.00463127 0.501864} H38 61 0.0 -1 8 {} O 0.0 {0.106849 0.957204 0.580444} O11 62 0.0 -1 6 {} C 0.0 {0.0762852 0.984197 0.607731} C11 63 0.0 -1 1 {} H 0.0 {0.053236 0.966861 0.615268} H39 64 0.0 -1 1 {} H 0.0 {0.0962377 0.992552 0.627317} H40 65 0.0 -1 1 {} H 0.0 {0.0620244 0.00963578 0.601124} H41 66 0.0 -1 8 {} O 0.0 {0.125944 0.0345793 0.571181} O12 67 0.0 -1 6 {} C 0.0 {0.171554 0.0512391 0.575346} C12 68 0.0 -1 1 {} H 0.0 {0.174129 0.0786832 0.56301} H42 69 0.0 -1 1 {} H 0.0 {0.174917 0.0529261 0.605167} H43 70 0.0 -1 1 {} H 0.0 {0.19247 0.0334331 0.562937} H44 71 0.0 -1 1 {} H 0.0 {0.241489 0.259772 0.3362} H45 72 0.0 -1 1 {} H 0.0 {0.1103 0.0580616 0.57414} H46 73 0.0 -1 1 {} H 0.0 {0.146554 0.97919 0.514586} H47 74 0.0 -1 1 {} H 0.0 {0.0581595 0.0608442 0.535666} H48 75 0.0 -1 14 {} Si 0.0 {0.236345 0.0515403 0.742069} Si4 76 0.0 -1 8 {} O 0.0 {0.287969 0.0428582 0.719096} O13 77 0.0 -1 6 {} C 0.0 {0.285989 0.091682 0.707911} C13 78 0.0 -1 1 {} H 0.0 {0.310489 0.101466 0.725056} H49 79 0.0 -1 1 {} H 0.0 {0.291708 0.0890662 0.679285} H50 80 0.0 -1 1 {} H 0.0 {0.261313 0.107798 0.715724} H51 81 0.0 -1 8 {} O 0.0 {0.232962 0.0402897 0.801579} O14 82 0.0 -1 6 {} C 0.0 {0.21266 0.0849128 0.805287} C14 83 0.0 -1 1 {} H 0.0 {0.236729 0.0991069 0.818158} H52 84 0.0 -1 1 {} H 0.0 {0.203705 0.10159 0.782779} H53 85 0.0 -1 1 {} H 0.0 {0.188518 0.0818062 0.824855} H54 86 0.0 -1 8 {} O 0.0 {0.2158 0.0757729 0.688875} O15 87 0.0 -1 6 {} C 0.0 {0.171516 0.0580157 0.705908} C15 88 0.0 -1 1 {} H 0.0 {0.153712 0.0824137 0.70885} H55 89 0.0 -1 1 {} H 0.0 {0.162299 0.0384787 0.684272} H56 90 0.0 -1 1 {} H 0.0 {0.170806 0.0440007 0.732502} H57 91 0.0 -1 8 {} O 0.0 {0.222753 0.995104 0.72348} O16 92 0.0 -1 6 {} C 0.0 {0.260957 0.985294 0.752128} C16 93 0.0 -1 1 {} H 0.0 {0.24697 0.965977 0.768854} H58 94 0.0 -1 1 {} H 0.0 {0.28151 0.972756 0.734415} H59 95 0.0 -1 1 {} H 0.0 {0.277257 0.00188347 0.772319} H60 96 0.0 -1 1 {} H 0.0 {0.204823 0.106428 0.642958} H61 97 0.0 -1 1 {} H 0.0 {0.236093 0.998227 0.69794} H62 98 0.0 -1 1 {} H 0.0 {0.282114 0.0315812 0.691179} H63 99 0.0 -1 1 {} H 0.0 {0.209007 0.024661 0.8006} H64 100 0.0 -1 14 {} Si 0.0 {0.00543467 0.140576 0.0728523} Si5 101 0.0 -1 8 {} O 0.0 {0.983059 0.0942761 0.0967962} O17 102 0.0 -1 6 {} C 0.0 {0.942701 0.106729 0.0714106} C17 103 0.0 -1 1 {} H 0.0 {0.923202 0.115689 0.0904905} H65 104 0.0 -1 1 {} H 0.0 {0.944796 0.128508 0.0500382} H66 105 0.0 -1 1 {} H 0.0 {0.935961 0.0795453 0.0561203} H67 106 0.0 -1 8 {} O 0.0 {0.966231 0.173825 0.105758} O18 107 0.0 -1 6 {} C 0.0 {0.000498854 0.206364 0.0923885} C18 108 0.0 -1 1 {} H 0.0 {0.984883 0.231616 0.0857367} H68 109 0.0 -1 1 {} H 0.0 {0.0187945 0.210021 0.11461} H69 110 0.0 -1 1 {} H 0.0 {0.0168751 0.203496 0.0667885} H70 111 0.0 -1 8 {} O 0.0 {0.0457395 0.139103 0.115039} O19 112 0.0 -1 6 {} C 0.0 {0.0834287 0.109193 0.125488} C19 113 0.0 -1 1 {} H 0.0 {0.107848 0.124038 0.119273} H71 114 0.0 -1 1 {} H 0.0 {0.0834903 0.101369 0.153252} H72 115 0.0 -1 1 {} H 0.0 {0.0841942 0.0854156 0.106121} H73 116 0.0 -1 8 {} O 0.0 {0.044249 0.120636 0.0330145} O20 117 0.0 -1 6 {} C 0.0 {0.0176516 0.150488 0.00364114} C20 118 0.0 -1 1 {} H 0.0 {0.00144343 0.135995 0.982428} H74 119 0.0 -1 1 {} H 0.0 {0.999473 0.172471 0.0159884} H75 120 0.0 -1 1 {} H 0.0 {0.0379753 0.16938 0.989499} H76 121 0.0 -1 1 {} H 0.0 {0.993189 0.458431 0.92959} H77 122 0.0 -1 1 {} H 0.0 {0.0660836 0.136781 0.0357427} H78 123 0.0 -1 1 {} H 0.0 {0.993111 0.0758953 0.0798747} H79 124 0.0 -1 1 {} H 0.0 {0.947969 0.178213 0.0853664} H80 125 0.0 -1 14 {} Si 0.0 {0.956841 0.507558 0.0565317} Si6 126 0.0 -1 8 {} O 0.0 {0.903842 0.524959 0.0361387} O21 127 0.0 -1 6 {} C 0.0 {0.924086 0.500117 0.997518} C21 128 0.0 -1 1 {} H 0.0 {0.91596 0.51925 0.97576} H81 129 0.0 -1 1 {} H 0.0 {0.953784 0.495167 0.991305} H82 130 0.0 -1 1 {} H 0.0 {0.90759 0.472754 0.999283} H83 131 0.0 -1 8 {} O 0.0 {0.967704 0.554005 0.0915818} O22 132 0.0 -1 6 {} C 0.0 {0.938777 0.592826 0.0902327} C22 133 0.0 -1 1 {} H 0.0 {0.948745 0.606619 0.114331} H84 134 0.0 -1 1 {} H 0.0 {0.942974 0.60873 0.0662735} H85 135 0.0 -1 1 {} H 0.0 {0.908473 0.588406 0.0922561} H86 136 0.0 -1 8 {} O 0.0 {0.941755 0.48214 0.105902} O23 137 0.0 -1 6 {} C 0.0 {0.966921 0.443856 0.0827603} C23 138 0.0 -1 1 {} H 0.0 {0.973476 0.440464 0.0532532} H87 139 0.0 -1 1 {} H 0.0 {0.992018 0.438555 0.0990832} H88 140 0.0 -1 1 {} H 0.0 {0.945668 0.422385 0.0854733} H89 141 0.0 -1 8 {} O 0.0 {0.0142767 0.487854 0.0633261} O24 142 0.0 -1 6 {} C 0.0 {0.0207316 0.522779 0.0304855} C24 143 0.0 -1 1 {} H 0.0 {2.94449e-005 0.541077 0.0149607} H90 144 0.0 -1 1 {} H 0.0 {0.0370931 0.54525 0.0437751} H91 145 0.0 -1 1 {} H 0.0 {0.0362146 0.509238 0.00870404} H92 146 0.0 -1 1 {} H 0.0 {0.139625 0.397201 0.996816} H93 147 0.0 -1 1 {} H 0.0 {0.0211143 0.501899 0.0873327} H94 148 0.0 -1 1 {} H 0.0 {0.909456 0.551285 0.0283368} H95 149 0.0 -1 1 {} H 0.0 {0.962406 0.544162 0.116718} H96 150 0.0 -1 14 {} Si 0.0 {0.0995185 0.563885 0.194285} Si7 151 0.0 -1 8 {} O 0.0 {0.0413805 0.563811 0.185669} O25 152 0.0 -1 6 {} C 0.0 {0.0569583 0.569158 0.139223} C25 153 0.0 -1 1 {} H 0.0 {0.0838564 0.565582 0.126177} H97 154 0.0 -1 1 {} H 0.0 {0.0412347 0.544681 0.128953} H98 155 0.0 -1 1 {} H 0.0 {0.0478043 0.596864 0.128839} H99 156 0.0 -1 8 {} O 0.0 {0.126624 0.508989 0.196935} O26 157 0.0 -1 6 {} C 0.0 {0.146766 0.530557 0.156988} C26 158 0.0 -1 1 {} H 0.0 {0.132886 0.517717 0.134503} H100 159 0.0 -1 1 {} H 0.0 {0.149675 0.559643 0.151893} H101 160 0.0 -1 1 {} H 0.0 {0.176591 0.520525 0.159385} H102 161 0.0 -1 8 {} O 0.0 {0.114549 0.611904 0.225422} O27 162 0.0 -1 6 {} C 0.0 {0.136407 0.621144 0.180913} C27 163 0.0 -1 1 {} H 0.0 {0.16645 0.618873 0.186765} H103 164 0.0 -1 1 {} H 0.0 {0.136289 0.61304 0.152186} H104 165 0.0 -1 1 {} H 0.0 {0.126907 0.649779 0.178453} H105 166 0.0 -1 8 {} O 0.0 {0.078844 0.544185 0.245899} O28 167 0.0 -1 6 {} C 0.0 {0.0376554 0.550886 0.273124} C28 168 0.0 -1 1 {} H 0.0 {0.0380717 0.541407 0.300532} H106 169 0.0 -1 1 {} H 0.0 {0.0307927 0.580207 0.273195} H107 170 0.0 -1 1 {} H 0.0 {0.0185512 0.535068 0.257473} H108 171 0.0 -1 1 {} H 0.0 {0.156273 0.34824 0.270135} H109 172 0.0 -1 1 {} H 0.0 {0.0790784 0.516657 0.242139} H110 173 0.0 -1 1 {} H 0.0 {0.0360636 0.536134 0.18377} H111 174 0.0 -1 1 {} H 0.0 {0.145179 0.516047 0.216048} H112 175 0.0 -1 14 {} Si 0.0 {0.233794 0.331794 0.339538} Si8 176 0.0 -1 8 {} O 0.0 {0.193856 0.329948 0.385479} O29 177 0.0 -1 6 {} C 0.0 {0.206967 0.376678 0.388836} C29 178 0.0 -1 1 {} H 0.0 {0.186818 0.396051 0.378973} H113 179 0.0 -1 1 {} H 0.0 {0.210522 0.379616 0.417212} H114 180 0.0 -1 1 {} H 0.0 {0.233185 0.38579 0.375752} H115 181 0.0 -1 8 {} O 0.0 {0.289344 0.313605 0.327639} O30 182 0.0 -1 6 {} C 0.0 {0.295702 0.34414 0.365549} C30 183 0.0 -1 1 {} H 0.0 {0.309449 0.368851 0.352278} H116 184 0.0 -1 1 {} H 0.0 {0.281168 0.355895 0.389672} H117 185 0.0 -1 1 {} H 0.0 {0.315871 0.327113 0.380618} H118 186 0.0 -1 8 {} O 0.0 {0.217164 0.275158 0.33767} O31 187 0.0 -1 6 {} C 0.0 {0.189255 0.246441 0.3666} C31 188 0.0 -1 1 {} H 0.0 {0.185339 0.221665 0.351765} H119 189 0.0 -1 1 {} H 0.0 {0.203174 0.23985 0.390159} H120 190 0.0 -1 1 {} H 0.0 {0.163527 0.261325 0.37102} H121 191 0.0 -1 8 {} O 0.0 {0.215968 0.332089 0.282896} O32 192 0.0 -1 6 {} C 0.0 {0.222892 0.379289 0.295699} C32 193 0.0 -1 1 {} H 0.0 {0.244295 0.389897 0.31575} H122 194 0.0 -1 1 {} H 0.0 {0.238342 0.386264 0.271317} H123 195 0.0 -1 1 {} H 0.0 {0.197693 0.394122 0.301273} H124 196 0.0 -1 1 {} H 0.0 {0.133315 0.410959 0.606119} H125 197 0.0 -1 1 {} H 0.0 {0.240648 0.328821 0.270922} H126 198 0.0 -1 1 {} H 0.0 {0.211241 0.316946 0.403306} H127 199 0.0 -1 1 {} H 0.0 {0.285432 0.291107 0.34145} H128 200 0.0 -1 14 {} Si 0.0 {0.187599 0.174542 0.65115} Si9 201 0.0 -1 8 {} O 0.0 {0.147053 0.199222 0.6146} O33 202 0.0 -1 6 {} C 0.0 {0.164802 0.239427 0.637435} C33 203 0.0 -1 1 {} H 0.0 {0.14053 0.250485 0.647888} H129 204 0.0 -1 1 {} H 0.0 {0.186295 0.238252 0.660544} H130 205 0.0 -1 1 {} H 0.0 {0.180417 0.252806 0.614183} H131 206 0.0 -1 8 {} O 0.0 {0.213841 0.160793 0.703073} O34 207 0.0 -1 6 {} C 0.0 {0.167898 0.169492 0.718596} C34 208 0.0 -1 1 {} H 0.0 {0.146474 0.182453 0.701909} H132 209 0.0 -1 1 {} H 0.0 {0.149446 0.145945 0.727248} H133 210 0.0 -1 1 {} H 0.0 {0.170077 0.189484 0.742496} H134 211 0.0 -1 8 {} O 0.0 {0.200516 0.124828 0.622781} O35 212 0.0 -1 6 {} C 0.0 {0.151125 0.122554 0.626676} C35 213 0.0 -1 1 {} H 0.0 {0.148669 0.0922975 0.63322} H135 214 0.0 -1 1 {} H 0.0 {0.130463 0.131745 0.646449} H136 215 0.0 -1 1 {} H 0.0 {0.138339 0.12906 0.601466} H137 216 0.0 -1 8 {} O 0.0 {0.234684 0.202932 0.62982} O36 217 0.0 -1 6 {} C 0.0 {0.258351 0.231568 0.662475} C36 218 0.0 -1 1 {} H 0.0 {0.258228 0.217329 0.687699} H138 219 0.0 -1 1 {} H 0.0 {0.286263 0.24228 0.654526} H139 220 0.0 -1 1 {} H 0.0 {0.241415 0.256201 0.667473} H140 221 0.0 -1 1 {} H 0.0 {0.163309 0.617459 0.975172} H141 222 0.0 -1 1 {} H 0.0 {0.254298 0.183645 0.62949} H142 223 0.0 -1 1 {} H 0.0 {0.164617 0.196191 0.593854} H143 224 0.0 -1 1 {} H 0.0 {0.214173 0.132159 0.703168} H144 225 0.0 -1 14 {} Si 0.0 {0.0463138 0.498331 0.904701} Si10 226 0.0 -1 8 {} O 0.0 {0.0886588 0.521501 0.939238} O37 227 0.0 -1 6 {} C 0.0 {0.0771249 0.557062 0.905834} C37 228 0.0 -1 1 {} H 0.0 {0.0597205 0.564859 0.880571} H145 229 0.0 -1 1 {} H 0.0 {0.0689803 0.577489 0.926151} H146 230 0.0 -1 1 {} H 0.0 {0.105974 0.559707 0.893148} H147 231 0.0 -1 8 {} O 0.0 {0.065969 0.442927 0.911654} O38 232 0.0 -1 6 {} C 0.0 {0.040598 0.403466 0.898471} C38 233 0.0 -1 1 {} H 0.0 {0.0124861 0.409447 0.908122} H148 234 0.0 -1 1 {} H 0.0 {0.0404264 0.397624 0.867893} H149 235 0.0 -1 1 {} H 0.0 {0.0516626 0.379523 0.913509} H150 236 0.0 -1 8 {} O 0.0 {0.999612 0.48267 0.93801} O39 237 0.0 -1 6 {} C 0.0 {0.977977 0.510412 0.903242} C39 238 0.0 -1 1 {} H 0.0 {0.951008 0.496568 0.901433} H151 239 0.0 -1 1 {} H 0.0 {0.971428 0.538189 0.915174} H152 240 0.0 -1 1 {} H 0.0 {0.985612 0.520173 0.875572} H153 241 0.0 -1 8 {} O 0.0 {0.0822249 0.503331 0.855596} O40 242 0.0 -1 6 {} C 0.0 {0.0430288 0.481748 0.837184} C40 243 0.0 -1 1 {} H 0.0 {0.0542306 0.456358 0.825496} H154 244 0.0 -1 1 {} H 0.0 {0.0162336 0.47333 0.848714} H155 245 0.0 -1 1 {} H 0.0 {0.0352382 0.499011 0.814097} H156 246 0.0 -1 1 {} H 0.0 {0.235749 0.547936 0.935} H157 247 0.0 -1 1 {} H 0.0 {0.0981265 0.4793 0.860635} H158 248 0.0 -1 1 {} H 0.0 {0.110567 0.513594 0.924472} H159 249 0.0 -1 1 {} H 0.0 {0.0641663 0.439913 0.939152} H160 250 0.0 -1 14 {} Si 0.0 {0.174692 0.441443 0.0395279} Si11 251 0.0 -1 8 {} O 0.0 {0.216327 0.474533 0.01517} O41 252 0.0 -1 6 {} C 0.0 {0.18448 0.47302 0.975866} C41 253 0.0 -1 1 {} H 0.0 {0.184974 0.503104 0.973101} H161 254 0.0 -1 1 {} H 0.0 {0.199146 0.457144 0.95383} H162 255 0.0 -1 1 {} H 0.0 {0.156523 0.464654 0.970493} H163 256 0.0 -1 8 {} O 0.0 {0.151699 0.472557 0.0837008} O42 257 0.0 -1 6 {} C 0.0 {0.111465 0.463755 0.057219} C42 258 0.0 -1 1 {} H 0.0 {0.0967438 0.48888 0.0636653} H164 259 0.0 -1 1 {} H 0.0 {0.109523 0.464792 0.0261335} H165 260 0.0 -1 1 {} H 0.0 {0.09542 0.438965 0.0661706} H166 261 0.0 -1 8 {} O 0.0 {0.166193 0.399133 0.997758} O43 262 0.0 -1 6 {} C 0.0 {0.176598 0.372788 0.0393373} C43 263 0.0 -1 1 {} H 0.0 {0.204619 0.362404 0.0354666} H167 264 0.0 -1 1 {} H 0.0 {0.175657 0.376479 0.0705235} H168 265 0.0 -1 1 {} H 0.0 {0.152618 0.353703 0.0332743} H169 266 0.0 -1 8 {} O 0.0 {0.218028 0.426866 0.0773522} O44 267 0.0 -1 6 {} C 0.0 {0.216789 0.423371 0.125888} C44 268 0.0 -1 1 {} H 0.0 {0.192234 0.409727 0.136978} H170 269 0.0 -1 1 {} H 0.0 {0.240203 0.408734 0.137061} H171 270 0.0 -1 1 {} H 0.0 {0.219096 0.451979 0.135629} H172 271 0.0 -1 1 {} H 0.0 {0.2686 0.428735 0.331394} H173 272 0.0 -1 1 {} H 0.0 {0.238996 0.443918 0.0721835} H174 273 0.0 -1 1 {} H 0.0 {0.235929 0.455839 0.00567083} H175 274 0.0 -1 1 {} H 0.0 {0.144883 0.453439 0.103912} H176 275 0.0 -1 14 {} Si 0.0 {0.0972355 0.344217 0.309464} Si12 276 0.0 -1 8 {} O 0.0 {0.120389 0.287323 0.320952} O45 277 0.0 -1 6 {} C 0.0 {0.103186 0.300805 0.363264} C45 278 0.0 -1 1 {} H 0.0 {0.0760814 0.290929 0.37007} H177 279 0.0 -1 1 {} H 0.0 {0.125951 0.297359 0.384429} H178 280 0.0 -1 1 {} H 0.0 {0.101575 0.330504 0.37005} H179 281 0.0 -1 8 {} O 0.0 {0.0881293 0.404356 0.31526} O46 282 0.0 -1 6 {} C 0.0 {0.136045 0.405581 0.323314} C46 283 0.0 -1 1 {} H 0.0 {0.144803 0.423784 0.300887} H180 284 0.0 -1 1 {} H 0.0 {0.137786 0.417974 0.350017} H181 285 0.0 -1 1 {} H 0.0 {0.152005 0.380642 0.328597} H182 286 0.0 -1 8 {} O 0.0 {0.132133 0.35778 0.263142} O47 287 0.0 -1 6 {} C 0.0 {0.114667 0.315388 0.245043} C47 288 0.0 -1 1 {} H 0.0 {0.101802 0.322768 0.218432} H183 289 0.0 -1 1 {} H 0.0 {0.139846 0.299588 0.242673} H184 290 0.0 -1 1 {} H 0.0 {0.0910555 0.298024 0.253554} H185 291 0.0 -1 8 {} O 0.0 {0.0467207 0.335106 0.27831} O48 292 0.0 -1 6 {} C 0.0 {0.0261094 0.363289 0.313344} C48 293 0.0 -1 1 {} H 0.0 {0.0013018 0.348432 0.316913} H186 294 0.0 -1 1 {} H 0.0 {0.0370665 0.36717 0.341534} H187 295 0.0 -1 1 {} H 0.0 {0.0220985 0.390546 0.301583} H188 296 0.0 -1 1 {} H 0.0 {0.0497921 0.968539 0.251733} H189 297 0.0 -1 1 {} H 0.0 {0.0556609 0.35653 0.262006} H190 298 0.0 -1 1 {} H 0.0 {0.146333 0.292256 0.324972} H191 299 0.0 -1 1 {} H 0.0 {0.0889678 0.412494 0.289573} H192 300 0.0 -1 14 {} Si 0.0 {0.177696 0.362401 0.641699} Si13 301 0.0 -1 8 {} O 0.0 {0.175826 0.337572 0.587626} O49 302 0.0 -1 6 {} C 0.0 {0.224712 0.338967 0.59574} C49 303 0.0 -1 1 {} H 0.0 {0.232733 0.349438 0.567204} H193 304 0.0 -1 1 {} H 0.0 {0.238596 0.36227 0.610925} H194 305 0.0 -1 1 {} H 0.0 {0.233718 0.310487 0.603322} H195 306 0.0 -1 8 {} O 0.0 {0.201984 0.384768 0.692553} O50 307 0.0 -1 6 {} C 0.0 {0.207379 0.337041 0.702863} C50 308 0.0 -1 1 {} H 0.0 {0.192376 0.333094 0.729373} H196 309 0.0 -1 1 {} H 0.0 {0.193709 0.313733 0.686535} H197 310 0.0 -1 1 {} H 0.0 {0.235574 0.329379 0.704063} H198 311 0.0 -1 8 {} O 0.0 {0.13978 0.40505 0.630922} O51 312 0.0 -1 6 {} C 0.0 {0.183849 0.429485 0.6359} C51 313 0.0 -1 1 {} H 0.0 {0.179802 0.448866 0.657173} H199 314 0.0 -1 1 {} H 0.0 {0.211612 0.416826 0.633227} H200 315 0.0 -1 1 {} H 0.0 {0.184119 0.440552 0.608327} H201 316 0.0 -1 8 {} O 0.0 {0.136746 0.325473 0.660556} O52 317 0.0 -1 6 {} C 0.0 {0.105145 0.349376 0.689281} C52 318 0.0 -1 1 {} H 0.0 {0.102551 0.377558 0.682114} H202 319 0.0 -1 1 {} H 0.0 {0.0779475 0.334649 0.687048} H203 320 0.0 -1 1 {} H 0.0 {0.11326 0.351805 0.717955} H204 321 0.0 -1 1 {} H 0.0 {0.121273 0.470885 0.538283} H205 322 0.0 -1 1 {} H 0.0 {0.119203 0.320903 0.637331} H206 323 0.0 -1 1 {} H 0.0 {0.173916 0.361817 0.571598} H207 324 0.0 -1 1 {} H 0.0 {0.178581 0.388701 0.70695} H208 325 0.0 -1 14 {} Si 0.0 {0.130156 0.634204 0.0345482} Si14 326 0.0 -1 8 {} O 0.0 {0.149529 0.583332 0.0520368} O53 327 0.0 -1 6 {} C 0.0 {0.15976 0.540016 0.0284111} C53 328 0.0 -1 1 {} H 0.0 {0.183916 0.536768 0.0118144} H209 329 0.0 -1 1 {} H 0.0 {0.158155 0.519745 0.0494478} H210 330 0.0 -1 1 {} H 0.0 {0.133455 0.537338 0.00914763} H211 331 0.0 -1 8 {} O 0.0 {0.155923 0.651825 0.0855128} O54 332 0.0 -1 6 {} C 0.0 {0.117802 0.682474 0.0801202} C54 333 0.0 -1 1 {} H 0.0 {0.0943641 0.669684 0.0940628} H212 334 0.0 -1 1 {} H 0.0 {0.12886 0.705684 0.0970786} H213 335 0.0 -1 1 {} H 0.0 {0.108658 0.696855 0.055768} H214 336 0.0 -1 8 {} O 0.0 {0.173243 0.633355 0.995139} O55 337 0.0 -1 6 {} C 0.0 {0.156825 0.677115 0.980968} C55 338 0.0 -1 1 {} H 0.0 {0.18384 0.690188 0.982412} H215 339 0.0 -1 1 {} H 0.0 {0.149883 0.669233 0.952185} H216 340 0.0 -1 1 {} H 0.0 {0.13567 0.696796 0.99234} H217 341 0.0 -1 8 {} O 0.0 {0.0832362 0.598442 0.0238439} O56 342 0.0 -1 6 {} C 0.0 {0.0659018 0.642118 0.00813756} C56 343 0.0 -1 1 {} H 0.0 {0.0805798 0.66627 0.998498} H218 344 0.0 -1 1 {} H 0.0 {0.0484754 0.632746 0.9854} H219 345 0.0 -1 1 {} H 0.0 {0.0453645 0.654352 0.0273104} H220 346 0.0 -1 1 {} H 0.0 {0.127221 0.429353 0.890188} H221 347 0.0 -1 1 {} H 0.0 {0.0904974 0.587579 0.998736} H222 348 0.0 -1 1 {} H 0.0 {0.173307 0.591098 0.0643127} H223 349 0.0 -1 1 {} H 0.0 {0.145588 0.633471 0.106021} H224 350 0.0 -1 14 {} Si 0.0 {0.266889 0.584796 0.984141} Si15 351 0.0 -1 8 {} O 0.0 {0.309666 0.568778 0.948948} O57 352 0.0 -1 6 {} C 0.0 {0.333032 0.561745 0.992788} C57 353 0.0 -1 1 {} H 0.0 {0.358182 0.568296 0.979921} H225 354 0.0 -1 1 {} H 0.0 {0.331325 0.582081 0.0160822} H226 355 0.0 -1 1 {} H 0.0 {0.330774 0.532582 0.00150779} H227 356 0.0 -1 8 {} O 0.0 {0.247934 0.634497 0.960991} O58 357 0.0 -1 6 {} C 0.0 {0.263045 0.650584 0.00709457} C58 358 0.0 -1 1 {} H 0.0 {0.247472 0.639105 0.0297147} H228 359 0.0 -1 1 {} H 0.0 {0.29236 0.65494 0.0156582} H229 360 0.0 -1 1 {} H 0.0 {0.250855 0.677877 0.00333299} H230 361 0.0 -1 8 {} O 0.0 {0.220573 0.560924 0.953119} O59 362 0.0 -1 6 {} C 0.0 {0.176128 0.551253 0.935582} C59 363 0.0 -1 1 {} H 0.0 {0.171826 0.561947 0.90891} H231 364 0.0 -1 1 {} H 0.0 {0.174946 0.521026 0.934086} H232 365 0.0 -1 1 {} H 0.0 {0.154836 0.560872 0.953502} H233 366 0.0 -1 8 {} O 0.0 {0.270311 0.539639 0.0222969} O60 367 0.0 -1 6 {} C 0.0 {0.244561 0.571203 0.0505563} C60 368 0.0 -1 1 {} H 0.0 {0.261536 0.591507 0.0655837} H234 369 0.0 -1 1 {} H 0.0 {0.217928 0.582687 0.0438173} H235 370 0.0 -1 1 {} H 0.0 {0.23371 0.551062 0.0713294} H236 371 0.0 -1 1 {} H 0.0 {0.252596 0.50276 0.89393} H237 372 0.0 -1 1 {} H 0.0 {0.249378 0.524118 0.0130664} H238 373 0.0 -1 1 {} H 0.0 {0.322149 0.593602 0.943329} H239 374 0.0 -1 1 {} H 0.0 {0.22197 0.631606 0.969627} H240 375 0.0 -1 14 {} Si 0.0 {0.297027 0.486083 0.356517} Si16 376 0.0 -1 8 {} O 0.0 {0.337542 0.497989 0.403545} O61 377 0.0 -1 6 {} C 0.0 {0.297242 0.522494 0.417782} C61 378 0.0 -1 1 {} H 0.0 {0.288167 0.509369 0.442421} H241 379 0.0 -1 1 {} H 0.0 {0.309282 0.548748 0.423366} H242 380 0.0 -1 1 {} H 0.0 {0.277514 0.530959 0.397037} H243 381 0.0 -1 8 {} O 0.0 {0.336583 0.466325 0.315729} O62 382 0.0 -1 6 {} C 0.0 {0.351368 0.439011 0.354002} C62 383 0.0 -1 1 {} H 0.0 {0.334798 0.431178 0.378024} H244 384 0.0 -1 1 {} H 0.0 {0.35416 0.41276 0.3421} H245 385 0.0 -1 1 {} H 0.0 {0.374905 0.4524 0.366782} H246 386 0.0 -1 8 {} O 0.0 {0.270864 0.433345 0.358139} O63 387 0.0 -1 6 {} C 0.0 {0.227353 0.458838 0.36103} C63 388 0.0 -1 1 {} H 0.0 {0.221322 0.487614 0.364507} H247 389 0.0 -1 1 {} H 0.0 {0.215299 0.449097 0.334431} H248 390 0.0 -1 1 {} H 0.0 {0.215033 0.447817 0.386326} H249 391 0.0 -1 8 {} O 0.0 {0.261995 0.509697 0.313833} O64 392 0.0 -1 6 {} C 0.0 {0.299997 0.541027 0.30938} C64 393 0.0 -1 1 {} H 0.0 {0.320659 0.542761 0.330351} H250 394 0.0 -1 1 {} H 0.0 {0.318395 0.535939 0.283249} H251 395 0.0 -1 1 {} H 0.0 {0.284924 0.568101 0.309476} H252 396 0.0 -1 1 {} H 0.0 {0.983884 0.783286 0.203761} H253 397 0.0 -1 1 {} H 0.0 {0.245031 0.525401 0.325787} H254 398 0.0 -1 1 {} H 0.0 {0.351273 0.517406 0.394019} H255 399 0.0 -1 1 {} H 0.0 {0.320526 0.446207 0.304013} H256 400 0.0 -1 14 {} Si 0.0 {0.0200105 0.983613 0.312729} Si17 401 0.0 -1 8 {} O 0.0 {0.979786 0.0271963 0.323053} O65 402 0.0 -1 6 {} C 0.0 {0.0159089 0.0453807 0.293709} C65 403 0.0 -1 1 {} H 0.0 {0.0443415 0.0362905 0.287892} H257 404 0.0 -1 1 {} H 0.0 {0.0057649 0.0514109 0.265775} H258 405 0.0 -1 1 {} H 0.0 {0.0220841 0.0700103 0.308599} H259 406 0.0 -1 8 {} O 0.0 {0.978624 0.940309 0.31782} O66 407 0.0 -1 6 {} C 0.0 {0.971074 0.960081 0.361826} C66 408 0.0 -1 1 {} H 0.0 {0.970751 0.931438 0.376043} H260 409 0.0 -1 1 {} H 0.0 {0.984824 0.979841 0.377933} H261 410 0.0 -1 1 {} H 0.0 {0.944142 0.973392 0.357923} H262 411 0.0 -1 8 {} O 0.0 {0.0254095 0.981975 0.254905} O67 412 0.0 -1 6 {} C 0.0 {0.998045 0.949735 0.227674} C67 413 0.0 -1 1 {} H 0.0 {0.988847 0.923911 0.241349} H263 414 0.0 -1 1 {} H 0.0 {0.972388 0.965338 0.224355} H264 415 0.0 -1 1 {} H 0.0 {0.0108508 0.944293 0.201738} H265 416 0.0 -1 8 {} O 0.0 {0.0769324 0.965011 0.315723} O68 417 0.0 -1 6 {} C 0.0 {0.0697744 0.987934 0.359458} C68 418 0.0 -1 1 {} H 0.0 {0.0563069 0.0136068 0.369047} H266 419 0.0 -1 1 {} H 0.0 {0.0613807 0.965799 0.377799} H267 420 0.0 -1 1 {} H 0.0 {0.0970105 0.992637 0.364998} H268 421 0.0 -1 1 {} H 0.0 {0.198121 0.957006 0.279627} H269 422 0.0 -1 1 {} H 0.0 {0.0876777 0.984689 0.301966} H270 423 0.0 -1 1 {} H 0.0 {0.98527 0.0377086 0.346528} H271 424 0.0 -1 1 {} H 0.0 {0.961794 0.953693 0.302204} H272 425 0.0 -1 14 {} Si 0.0 {0.151481 0.533635 0.531489} Si18 426 0.0 -1 8 {} O 0.0 {0.18115 0.58281 0.54853} O69 427 0.0 -1 6 {} C 0.0 {0.138916 0.599671 0.528739} C69 428 0.0 -1 1 {} H 0.0 {0.11364 0.596243 0.545593} H273 429 0.0 -1 1 {} H 0.0 {0.142638 0.62797 0.537351} H274 430 0.0 -1 1 {} H 0.0 {0.130458 0.597356 0.497801} H275 431 0.0 -1 8 {} O 0.0 {0.193874 0.494828 0.549761} O70 432 0.0 -1 6 {} C 0.0 {0.180506 0.517684 0.592085} C70 433 0.0 -1 1 {} H 0.0 {0.19904 0.542741 0.597892} H276 434 0.0 -1 1 {} H 0.0 {0.151773 0.526342 0.598542} H277 435 0.0 -1 1 {} H 0.0 {0.184301 0.493254 0.611498} H278 436 0.0 -1 8 {} O 0.0 {0.113304 0.491413 0.519648} O71 437 0.0 -1 6 {} C 0.0 {0.0872914 0.518213 0.553028} C71 438 0.0 -1 1 {} H 0.0 {0.087644 0.546557 0.561435} H279 439 0.0 -1 1 {} H 0.0 {0.0619911 0.520848 0.537807} H280 440 0.0 -1 1 {} H 0.0 {0.0853857 0.502942 0.579226} H281 441 0.0 -1 8 {} O 0.0 {0.177402 0.532463 0.477439} O72 442 0.0 -1 6 {} C 0.0 {0.222785 0.528104 0.461852} C72 443 0.0 -1 1 {} H 0.0 {0.235105 0.503632 0.471946} H282 444 0.0 -1 1 {} H 0.0 {0.224695 0.530426 0.431808} H283 445 0.0 -1 1 {} H 0.0 {0.23593 0.552216 0.474697} H284 446 0.0 -1 1 {} H 0.0 {0.159648 0.886785 0.447575} H285 447 0.0 -1 1 {} H 0.0 {0.168978 0.506351 0.469262} H286 448 0.0 -1 1 {} H 0.0 {0.197659 0.592829 0.526132} H287 449 0.0 -1 1 {} H 0.0 {0.181115 0.472167 0.550581} H288 450 0.0 -1 14 {} Si 0.0 {0.161528 0.422564 0.82833} Si19 451 0.0 -1 8 {} O 0.0 {0.14737 0.473323 0.802961} O73 452 0.0 -1 6 {} C 0.0 {0.189077 0.486388 0.827774} C73 453 0.0 -1 1 {} H 0.0 {0.200619 0.499616 0.80301} H289 454 0.0 -1 1 {} H 0.0 {0.179238 0.50386 0.848783} H290 455 0.0 -1 1 {} H 0.0 {0.212761 0.473687 0.839809} H291 456 0.0 -1 8 {} O 0.0 {0.17559 0.389303 0.783273} O74 457 0.0 -1 6 {} C 0.0 {0.221521 0.391756 0.802906} C74 458 0.0 -1 1 {} H 0.0 {0.224485 0.363637 0.812998} H292 459 0.0 -1 1 {} H 0.0 {0.238856 0.399709 0.778687} H293 460 0.0 -1 1 {} H 0.0 {0.229928 0.409515 0.824784} H294 461 0.0 -1 8 {} O 0.0 {0.147937 0.443602 0.883484} O75 462 0.0 -1 6 {} C 0.0 {0.183581 0.411517 0.894725} C75 463 0.0 -1 1 {} H 0.0 {0.191894 0.385814 0.879722} H295 464 0.0 -1 1 {} H 0.0 {0.207281 0.428778 0.898624} H296 465 0.0 -1 1 {} H 0.0 {0.169974 0.40044 0.919378} H297 466 0.0 -1 8 {} O 0.0 {0.106312 0.409296 0.816793} O76 467 0.0 -1 6 {} C 0.0 {0.0879206 0.364274 0.803093} C76 468 0.0 -1 1 {} H 0.0 {0.104434 0.34161 0.814416} H298 469 0.0 -1 1 {} H 0.0 {0.0582993 0.366277 0.814273} H299 470 0.0 -1 1 {} H 0.0 {0.0858195 0.362701 0.772943} H300 471 0.0 -1 1 {} H 0.0 {0.19507 0.746754 0.716489} H301 472 0.0 -1 1 {} H 0.0 {0.0916157 0.412424 0.841423} H302 473 0.0 -1 1 {} H 0.0 {0.129379 0.480952 0.822107} H303 474 0.0 -1 1 {} H 0.0 {0.178063 0.40779 0.764309} H304 475 0.0 -1 14 {} Si 0.0 {0.314274 0.470598 0.883285} Si20 476 0.0 -1 8 {} O 0.0 {0.334171 0.526858 0.878924} O77 477 0.0 -1 6 {} C 0.0 {0.364584 0.506425 0.912715} C77 478 0.0 -1 1 {} H 0.0 {0.358232 0.487955 0.934486} H305 479 0.0 -1 1 {} H 0.0 {0.393192 0.499367 0.903798} H306 480 0.0 -1 1 {} H 0.0 {0.363163 0.533176 0.929839} H307 481 0.0 -1 8 {} O 0.0 {0.32372 0.422766 0.849666} O78 482 0.0 -1 6 {} C 0.0 {0.349959 0.412902 0.89106} C78 483 0.0 -1 1 {} H 0.0 {0.3399 0.382899 0.893795} H308 484 0.0 -1 1 {} H 0.0 {0.380302 0.411343 0.881946} H309 485 0.0 -1 1 {} H 0.0 {0.345152 0.425266 0.917512} H310 486 0.0 -1 8 {} O 0.0 {0.25772 0.476809 0.90123} O79 487 0.0 -1 6 {} C 0.0 {0.279451 0.483545 0.945295} C79 488 0.0 -1 1 {} H 0.0 {0.306952 0.494527 0.952901} H311 489 0.0 -1 1 {} H 0.0 {0.265717 0.509022 0.956821} H312 490 0.0 -1 1 {} H 0.0 {0.274537 0.457538 0.960227} H313 491 0.0 -1 8 {} O 0.0 {0.288976 0.480596 0.830937} O80 492 0.0 -1 6 {} C 0.0 {0.267941 0.517392 0.804637} C80 493 0.0 -1 1 {} H 0.0 {0.250379 0.534153 0.821526} H314 494 0.0 -1 1 {} H 0.0 {0.292176 0.53319 0.79339} H315 495 0.0 -1 1 {} H 0.0 {0.250333 0.507681 0.782362} H316 496 0.0 -1 1 {} H 0.0 {0.265563 0.594425 0.775342} H317 497 0.0 -1 1 {} H 0.0 {0.30791 0.472352 0.813252} H318 498 0.0 -1 1 {} H 0.0 {0.318475 0.542198 0.898716} H319 499 0.0 -1 1 {} H 0.0 {0.300717 0.40967 0.854656} H320 500 0.0 -1 14 {} Si 0.0 {0.00516484 0.819137 0.256083} Si21 501 0.0 -1 8 {} O 0.0 {0.0567903 0.843528 0.255403} O81 502 0.0 -1 6 {} C 0.0 {0.0352645 0.879475 0.283013} C81 503 0.0 -1 1 {} H 0.0 {0.00747341 0.88701 0.282263} H321 504 0.0 -1 1 {} H 0.0 {0.0406205 0.877467 0.312647} H322 505 0.0 -1 1 {} H 0.0 {0.0451623 0.90618 0.268356} H323 506 0.0 -1 8 {} O 0.0 {0.99869 0.799518 0.312383} O82 507 0.0 -1 6 {} C 0.0 {0.954976 0.823154 0.305275} C82 508 0.0 -1 1 {} H 0.0 {0.938359 0.828829 0.279771} H324 509 0.0 -1 1 {} H 0.0 {0.938548 0.801587 0.318547} H325 510 0.0 -1 1 {} H 0.0 {0.954024 0.850507 0.317117} H326 511 0.0 -1 8 {} O 0.0 {0.995049 0.805356 0.199189} O83 512 0.0 -1 6 {} C 0.0 {0.958855 0.838835 0.206675} C83 513 0.0 -1 1 {} H 0.0 {0.968102 0.857196 0.184842} H327 514 0.0 -1 1 {} H 0.0 {0.933465 0.825193 0.204632} H328 515 0.0 -1 1 {} H 0.0 {0.955742 0.855854 0.231522} H329 516 0.0 -1 8 {} O 0.0 {0.0339973 0.768845 0.251646} O84 517 0.0 -1 6 {} C 0.0 {0.0627563 0.757043 0.213505} C84 518 0.0 -1 1 {} H 0.0 {0.0698822 0.729486 0.218589} H330 519 0.0 -1 1 {} H 0.0 {0.045587 0.760874 0.189329} H331 520 0.0 -1 1 {} H 0.0 {0.0872219 0.773459 0.209964} H332 521 0.0 -1 1 {} H 0.0 {0.0786808 0.33842 0.0781026} H333 522 0.0 -1 1 {} H 0.0 {0.0533478 0.770826 0.271976} H334 523 0.0 -1 1 {} H 0.0 {0.0570725 0.856299 0.232181} H335 524 0.0 -1 1 {} H 0.0 {0.990278 0.774099 0.308102} H336 525 0.0 -1 14 {} Si 0.0 {0.16729 0.00297436 0.235666} Si22 526 0.0 -1 8 {} O 0.0 {0.171933 0.995378 0.179797} O85 527 0.0 -1 6 {} C 0.0 {0.20689 0.961941 0.193935} C85 528 0.0 -1 1 {} H 0.0 {0.208677 0.947424 0.167102} H337 529 0.0 -1 1 {} H 0.0 {0.235027 0.972319 0.199783} H338 530 0.0 -1 1 {} H 0.0 {0.204618 0.939337 0.214345} H339 531 0.0 -1 8 {} O 0.0 {0.120396 0.966436 0.235809} O86 532 0.0 -1 6 {} C 0.0 {0.104361 0.922032 0.221401} C86 533 0.0 -1 1 {} H 0.0 {0.074861 0.923238 0.228086} H340 534 0.0 -1 1 {} H 0.0 {0.110937 0.914318 0.193537} H341 535 0.0 -1 1 {} H 0.0 {0.115513 0.902444 0.241139} H342 536 0.0 -1 8 {} O 0.0 {0.184395 0.979914 0.287217} O87 537 0.0 -1 6 {} C 0.0 {0.220887 0.0131606 0.27875} C87 538 0.0 -1 1 {} H 0.0 {0.217886 0.0397489 0.292898} H343 539 0.0 -1 1 {} H 0.0 {0.242713 0.996998 0.291144} H344 540 0.0 -1 1 {} H 0.0 {0.231196 0.0177081 0.250803} H345 541 0.0 -1 8 {} O 0.0 {0.130909 0.0498567 0.224775} O88 542 0.0 -1 6 {} C 0.0 {0.174245 0.0694806 0.210978} C88 543 0.0 -1 1 {} H 0.0 {0.18365 0.0893994 0.231809} H346 544 0.0 -1 1 {} H 0.0 {0.199535 0.0552483 0.204377} H347 545 0.0 -1 1 {} H 0.0 {0.167965 0.0850135 0.186901} H348 546 0.0 -1 1 {} H 0.0 {0.219115 0.0581678 0.43025} H349 547 0.0 -1 1 {} H 0.0 {0.122976 0.0424952 0.199763} H350 548 0.0 -1 1 {} H 0.0 {0.150079 0.977404 0.17479} H351 549 0.0 -1 1 {} H 0.0 {0.111619 0.966691 0.261318} H352 550 0.0 -1 14 {} Si 0.0 {0.147495 0.868881 0.382201} Si23 551 0.0 -1 8 {} O 0.0 {0.169571 0.868804 0.32734} O89 552 0.0 -1 6 {} C 0.0 {0.126434 0.894712 0.322925} C89 553 0.0 -1 1 {} H 0.0 {0.113595 0.881577 0.298113} H353 554 0.0 -1 1 {} H 0.0 {0.0995662 0.900095 0.337442} H354 555 0.0 -1 1 {} H 0.0 {0.138381 0.921978 0.316389} H355 556 0.0 -1 8 {} O 0.0 {0.188723 0.828498 0.401931} O90 557 0.0 -1 6 {} C 0.0 {0.214966 0.867453 0.384268} C90 558 0.0 -1 1 {} H 0.0 {0.22713 0.852732 0.360339} H356 559 0.0 -1 1 {} H 0.0 {0.209541 0.89363 0.371334} H357 560 0.0 -1 1 {} H 0.0 {0.233618 0.875269 0.407954} H358 561 0.0 -1 8 {} O 0.0 {0.132797 0.886323 0.436549} O91 562 0.0 -1 6 {} C 0.0 {0.135535 0.931765 0.416268} C91 563 0.0 -1 1 {} H 0.0 {0.153351 0.946748 0.435574} H359 564 0.0 -1 1 {} H 0.0 {0.148831 0.938652 0.390576} H360 565 0.0 -1 1 {} H 0.0 {0.109345 0.943805 0.415784} H361 566 0.0 -1 8 {} O 0.0 {0.110006 0.824684 0.380402} O92 567 0.0 -1 6 {} C 0.0 {0.0925116 0.802512 0.340259} C92 568 0.0 -1 1 {} H 0.0 {0.0915492 0.81902 0.316573} H362 569 0.0 -1 1 {} H 0.0 {0.111407 0.778709 0.334251} H363 570 0.0 -1 1 {} H 0.0 {0.0650067 0.7935 0.346834} H364 571 0.0 -1 1 {} H 0.0 {0.128917 0.972844 0.583234} H365 572 0.0 -1 1 {} H 0.0 {0.122392 0.805367 0.394682} H366 573 0.0 -1 1 {} H 0.0 {0.161187 0.845495 0.315677} H367 574 0.0 -1 1 {} H 0.0 {0.184621 0.836066 0.426723} H368 575 0.0 -1 14 {} Si 0.0 {0.123131 0.745879 0.715979} Si24 576 0.0 -1 8 {} O 0.0 {0.0939566 0.69937 0.741464} O93 577 0.0 -1 6 {} C 0.0 {0.0601978 0.734169 0.749741} C93 578 0.0 -1 1 {} H 0.0 {0.0667104 0.763021 0.744244} H369 579 0.0 -1 1 {} H 0.0 {0.0348311 0.723362 0.734165} H370 580 0.0 -1 1 {} H 0.0 {0.0580582 0.729115 0.78066} H371 581 0.0 -1 8 {} O 0.0 {0.142511 0.800832 0.694242} O94 582 0.0 -1 6 {} C 0.0 {0.0956413 0.798937 0.680247} C94 583 0.0 -1 1 {} H 0.0 {0.0941267 0.804547 0.650173} H372 584 0.0 -1 1 {} H 0.0 {0.0784925 0.774132 0.680526} H373 585 0.0 -1 1 {} H 0.0 {0.0806621 0.819995 0.69749} H374 586 0.0 -1 8 {} O 0.0 {0.179089 0.734625 0.735557} O95 587 0.0 -1 6 {} C 0.0 {0.172831 0.771999 0.766133} C95 588 0.0 -1 1 {} H 0.0 {0.200157 0.784596 0.762903} H375 589 0.0 -1 1 {} H 0.0 {0.152431 0.793707 0.758884} H376 590 0.0 -1 1 {} H 0.0 {0.165079 0.764185 0.794402} H377 591 0.0 -1 8 {} O 0.0 {0.133129 0.73095 0.658965} O96 592 0.0 -1 6 {} C 0.0 {0.13887 0.686094 0.678094} C96 593 0.0 -1 1 {} H 0.0 {0.157827 0.672281 0.659482} H378 594 0.0 -1 1 {} H 0.0 {0.150464 0.680315 0.704784} H379 595 0.0 -1 1 {} H 0.0 {0.113855 0.671353 0.676038} H380 596 0.0 -1 1 {} H 0.0 {0.220066 0.0581034 0.668358} H381 597 0.0 -1 1 {} H 0.0 {0.158996 0.739345 0.655213} H382 598 0.0 -1 1 {} H 0.0 {0.108896 0.700977 0.764767} H383 599 0.0 -1 1 {} H 0.0 {0.1563 0.791697 0.670838} H384 600 0.0 -1 14 {} Si 0.0 {0.242653 0.573549 0.71125} Si25 601 0.0 -1 8 {} O 0.0 {0.1925 0.569414 0.744402} O97 602 0.0 -1 6 {} C 0.0 {0.179504 0.602806 0.712251} C97 603 0.0 -1 1 {} H 0.0 {0.187412 0.612891 0.684226} H385 604 0.0 -1 1 {} H 0.0 {0.156282 0.585496 0.698022} H386 605 0.0 -1 1 {} H 0.0 {0.175338 0.628271 0.725203} H387 606 0.0 -1 8 {} O 0.0 {0.279662 0.584594 0.667535} O98 607 0.0 -1 6 {} C 0.0 {0.25398 0.545745 0.647943} C98 608 0.0 -1 1 {} H 0.0 {0.240598 0.560864 0.625415} H388 609 0.0 -1 1 {} H 0.0 {0.279049 0.530544 0.63914} H389 610 0.0 -1 1 {} H 0.0 {0.237264 0.521987 0.658431} H390 611 0.0 -1 8 {} O 0.0 {0.280442 0.586662 0.753929} O99 612 0.0 -1 6 {} C 0.0 {0.282618 0.62946 0.728606} C99 613 0.0 -1 1 {} H 0.0 {0.310757 0.633238 0.718817} H391 614 0.0 -1 1 {} H 0.0 {0.267258 0.635999 0.704948} H392 615 0.0 -1 1 {} H 0.0 {0.270326 0.648862 0.750708} H393 616 0.0 -1 8 {} O 0.0 {0.250498 0.515216 0.71516} O100 617 0.0 -1 6 {} C 0.0 {0.228831 0.474234 0.731984} C100 618 0.0 -1 1 {} H 0.0 {0.245856 0.451219 0.720801} H394 619 0.0 -1 1 {} H 0.0 {0.23044 0.471574 0.761511} H395 620 0.0 -1 1 {} H 0.0 {0.202023 0.473182 0.721975} H396 621 0.0 -1 1 {} H 0.0 {0.030086 0.129789 0.135619} H397 622 0.0 -1 1 {} H 0.0 {0.27519 0.514881 0.729419} H398 623 0.0 -1 1 {} H 0.0 {0.184043 0.546407 0.733196} H399 624 0.0 -1 1 {} H 0.0 {0.302743 0.569949 0.676742} H400 625 0.0 -1 14 {} Si 0.0 {0.384794 0.00664713 0.089592} Si26 626 0.0 -1 8 {} O 0.0 {0.345348 0.00325971 0.1335} O101 627 0.0 -1 6 {} C 0.0 {0.387175 0.000689742 0.159603} C101 628 0.0 -1 1 {} H 0.0 {0.388827 0.974301 0.173859} H401 629 0.0 -1 1 {} H 0.0 {0.417254 0.00198712 0.152838} H402 630 0.0 -1 1 {} H 0.0 {0.38542 0.0250897 0.17608} H403 631 0.0 -1 8 {} O 0.0 {0.412256 0.0496384 0.0588583} O102 632 0.0 -1 6 {} C 0.0 {0.385039 0.0784701 0.0881767} C102 633 0.0 -1 1 {} H 0.0 {0.377613 0.0992801 0.0669287} H404 634 0.0 -1 1 {} H 0.0 {0.357912 0.0688381 0.101561} H405 635 0.0 -1 1 {} H 0.0 {0.399501 0.0936761 0.107828} H406 636 0.0 -1 8 {} O 0.0 {0.404804 0.956728 0.0647334} O103 637 0.0 -1 6 {} C 0.0 {0.445871 0.980417 0.0792607} C103 638 0.0 -1 1 {} H 0.0 {0.458299 0.965214 0.102948} H407 639 0.0 -1 1 {} H 0.0 {0.463637 0.98457 0.0539472} H408 640 0.0 -1 1 {} H 0.0 {0.449621 0.00932459 0.0881619} H409 641 0.0 -1 8 {} O 0.0 {0.340733 0.0130829 0.0506273} O104 642 0.0 -1 6 {} C 0.0 {0.331878 0.978593 0.0170246} C104 643 0.0 -1 1 {} H 0.0 {0.348969 0.981017 0.992956} H410 644 0.0 -1 1 {} H 0.0 {0.342366 0.952898 0.0295718} H411 645 0.0 -1 1 {} H 0.0 {0.303163 0.978644 0.0085701} H412 646 0.0 -1 1 {} H 0.0 {0.0699551 0.21832 0.179823} H413 647 0.0 -1 1 {} H 0.0 {0.322877 0.00517162 0.0695488} H414 648 0.0 -1 1 {} H 0.0 {0.335479 0.976201 0.134702} H415 649 0.0 -1 1 {} H 0.0 {0.396146 0.046162 0.036383} H416 650 0.0 -1 14 {} Si 0.0 {0.115605 0.141182 0.289568} Si27 651 0.0 -1 8 {} O 0.0 {0.0973971 0.162215 0.344895} O105 652 0.0 -1 6 {} C 0.0 {0.107884 0.204586 0.324692} C105 653 0.0 -1 1 {} H 0.0 {0.103106 0.213878 0.296158} H417 654 0.0 -1 1 {} H 0.0 {0.0839097 0.221992 0.332843} H418 655 0.0 -1 1 {} H 0.0 {0.134834 0.216177 0.332357} H419 656 0.0 -1 8 {} O 0.0 {0.138968 0.090911 0.307781} O106 657 0.0 -1 6 {} C 0.0 {0.0946395 0.090082 0.330569} C106 658 0.0 -1 1 {} H 0.0 {0.10427 0.090008 0.359805} H420 659 0.0 -1 1 {} H 0.0 {0.0694703 0.104723 0.330327} H421 660 0.0 -1 1 {} H 0.0 {0.0867012 0.0601977 0.325863} H422 661 0.0 -1 8 {} O 0.0 {0.120938 0.13059 0.232582} O107 662 0.0 -1 6 {} C 0.0 {0.0736764 0.147933 0.237693} C107 663 0.0 -1 1 {} H 0.0 {0.0536383 0.158175 0.257929} H423 664 0.0 -1 1 {} H 0.0 {0.0753523 0.17081 0.219122} H424 665 0.0 -1 1 {} H 0.0 {0.0569776 0.122168 0.228458} H425 666 0.0 -1 8 {} O 0.0 {0.168514 0.167092 0.297012} O108 667 0.0 -1 6 {} C 0.0 {0.186463 0.201488 0.267477} C108 668 0.0 -1 1 {} H 0.0 {0.169408 0.225921 0.27014} H426 669 0.0 -1 1 {} H 0.0 {0.216665 0.205212 0.274572} H427 670 0.0 -1 1 {} H 0.0 {0.185559 0.192301 0.238766} H428 671 0.0 -1 1 {} H 0.0 {0.306772 0.123662 0.415694} H429 672 0.0 -1 1 {} H 0.0 {0.188262 0.146532 0.295905} H430 673 0.0 -1 1 {} H 0.0 {0.069427 0.163946 0.342964} H431 674 0.0 -1 1 {} H 0.0 {0.133815 0.0753975 0.284715} H432 675 0.0 -1 14 {} Si 0.0 {0.302052 0.0140749 0.428921} Si28 676 0.0 -1 8 {} O 0.0 {0.331348 0.0310046 0.479793} O109 677 0.0 -1 6 {} C 0.0 {0.299617 0.0673496 0.476958} C109 678 0.0 -1 1 {} H 0.0 {0.301832 0.0746516 0.505816} H433 679 0.0 -1 1 {} H 0.0 {0.308763 0.0916537 0.461139} H434 680 0.0 -1 1 {} H 0.0 {0.26984 0.0645343 0.475341} H435 681 0.0 -1 8 {} O 0.0 {0.345461 0.00213474 0.39014} O110 682 0.0 -1 6 {} C 0.0 {0.371192 0.989102 0.429247} C110 683 0.0 -1 1 {} H 0.0 {0.387555 0.0105241 0.441211} H436 684 0.0 -1 1 {} H 0.0 {0.35601 0.976322 0.452459} H437 685 0.0 -1 1 {} H 0.0 {0.390479 0.96958 0.416809} H438 686 0.0 -1 8 {} O 0.0 {0.254638 0.983263 0.40817} O111 687 0.0 -1 6 {} C 0.0 {0.25884 0.96123 0.452148} C111 688 0.0 -1 1 {} H 0.0 {0.278035 0.972425 0.472906} H439 689 0.0 -1 1 {} H 0.0 {0.230423 0.958999 0.462206} H440 690 0.0 -1 1 {} H 0.0 {0.266883 0.931353 0.448257} H441 691 0.0 -1 8 {} O 0.0 {0.282906 0.0671063 0.409443} O112 692 0.0 -1 6 {} C 0.0 {0.282809 0.0509312 0.363854} C112 693 0.0 -1 1 {} H 0.0 {0.281187 0.0214317 0.356437} H442 694 0.0 -1 1 {} H 0.0 {0.254888 0.0633949 0.354162} H443 695 0.0 -1 1 {} H 0.0 {0.308635 0.0611146 0.350615} H444 696 0.0 -1 1 {} H 0.0 {0.235117 0.317504 0.469063} H445 697 0.0 -1 1 {} H 0.0 {0.254283 0.0648119 0.414576} H446 698 0.0 -1 1 {} H 0.0 {0.31892 0.0154967 0.498206} H447 699 0.0 -1 1 {} H 0.0 {0.340086 0.977097 0.380826} H448 700 0.0 -1 14 {} Si 0.0 {0.322919 0.176998 0.579606} Si29 701 0.0 -1 8 {} O 0.0 {0.277477 0.205143 0.552995} O113 702 0.0 -1 6 {} C 0.0 {0.299466 0.243066 0.575485} C113 703 0.0 -1 1 {} H 0.0 {0.319069 0.248398 0.597545} H449 704 0.0 -1 1 {} H 0.0 {0.313139 0.257872 0.554153} H450 705 0.0 -1 1 {} H 0.0 {0.273943 0.2542 0.586999} H451 706 0.0 -1 8 {} O 0.0 {0.365842 0.153828 0.548399} O114 707 0.0 -1 6 {} C 0.0 {0.389059 0.188751 0.576356} C114 708 0.0 -1 1 {} H 0.0 {0.382736 0.209004 0.596192} H452 709 0.0 -1 1 {} H 0.0 {0.411309 0.173395 0.590615} H453 710 0.0 -1 1 {} H 0.0 {0.40105 0.205486 0.552812} H454 711 0.0 -1 8 {} O 0.0 {0.304974 0.143946 0.624187} O115 712 0.0 -1 6 {} C 0.0 {0.332408 0.175312 0.652225} C115 713 0.0 -1 1 {} H 0.0 {0.357185 0.160309 0.660922} H455 714 0.0 -1 1 {} H 0.0 {0.337998 0.20421 0.643857} H456 715 0.0 -1 1 {} H 0.0 {0.313397 0.178551 0.676266} H457 716 0.0 -1 8 {} O 0.0 {0.302534 0.128082 0.551116} O116 717 0.0 -1 6 {} C 0.0 {0.255439 0.11861 0.545509} C116 718 0.0 -1 1 {} H 0.0 {0.243332 0.12164 0.573457} H458 719 0.0 -1 1 {} H 0.0 {0.24386 0.140836 0.529692} H459 720 0.0 -1 1 {} H 0.0 {0.248712 0.0912162 0.533661} H460 721 0.0 -1 1 {} H 0.0 {0.137291 0.266187 0.841548} H461 722 0.0 -1 1 {} H 0.0 {0.31051 0.107138 0.566031} H462 723 0.0 -1 1 {} H 0.0 {0.257426 0.202744 0.572018} H463 724 0.0 -1 1 {} H 0.0 {0.370187 0.131233 0.561871} H464 725 0.0 -1 14 {} Si 0.0 {0.145769 0.904402 0.738202} Si30 726 0.0 -1 8 {} O 0.0 {0.135757 0.885455 0.684399} O117 727 0.0 -1 6 {} C 0.0 {0.0965389 0.889874 0.656342} C117 728 0.0 -1 1 {} H 0.0 {0.0743774 0.879393 0.672982} H465 729 0.0 -1 1 {} H 0.0 {0.0937657 0.919848 0.654474} H466 730 0.0 -1 1 {} H 0.0 {0.097304 0.877484 0.629795} H467 731 0.0 -1 8 {} O 0.0 {0.110041 0.951322 0.724652} O118 732 0.0 -1 6 {} C 0.0 {0.145754 0.965884 0.75755} C118 733 0.0 -1 1 {} H 0.0 {0.164375 0.957077 0.779307} H468 734 0.0 -1 1 {} H 0.0 {0.16241 0.98424 0.741188} H469 735 0.0 -1 1 {} H 0.0 {0.126232 0.984219 0.77481} H470 736 0.0 -1 8 {} O 0.0 {0.0999919 0.869367 0.750699} O119 737 0.0 -1 6 {} C 0.0 {0.129131 0.862644 0.791203} C119 738 0.0 -1 1 {} H 0.0 {0.155075 0.8756 0.802494} H471 739 0.0 -1 1 {} H 0.0 {0.105736 0.86429 0.813198} H472 740 0.0 -1 1 {} H 0.0 {0.135786 0.832934 0.789215} H473 741 0.0 -1 8 {} O 0.0 {0.189512 0.860816 0.745435} O120 742 0.0 -1 6 {} C 0.0 {0.212312 0.892972 0.716896} C120 743 0.0 -1 1 {} H 0.0 {0.238393 0.898348 0.733414} H474 744 0.0 -1 1 {} H 0.0 {0.218086 0.883385 0.68978} H475 745 0.0 -1 1 {} H 0.0 {0.200617 0.922609 0.71523} H476 746 0.0 -1 1 {} H 0.0 {0.236549 0.132217 0.912322} H477 747 0.0 -1 1 {} H 0.0 {0.181939 0.843667 0.7269} H478 748 0.0 -1 1 {} H 0.0 {0.138611 0.857673 0.687235} H479 749 0.0 -1 1 {} H 0.0 {0.0883328 0.9469 0.741568} H480 750 0.0 -1 14 {} Si 0.0 {0.118126 0.254558 0.14748} Si31 751 0.0 -1 8 {} O 0.0 {0.144041 0.292743 0.110982} O121 752 0.0 -1 6 {} C 0.0 {0.157857 0.313133 0.153657} C121 753 0.0 -1 1 {} H 0.0 {0.140291 0.337374 0.159007} H481 754 0.0 -1 1 {} H 0.0 {0.16073 0.294093 0.179686} H482 755 0.0 -1 1 {} H 0.0 {0.185455 0.317278 0.145623} H483 756 0.0 -1 8 {} O 0.0 {0.140121 0.19972 0.150676} O122 757 0.0 -1 6 {} C 0.0 {0.143531 0.21589 0.197692} C122 758 0.0 -1 1 {} H 0.0 {0.172824 0.218825 0.204883} H484 759 0.0 -1 1 {} H 0.0 {0.132132 0.241244 0.20856} H485 760 0.0 -1 1 {} H 0.0 {0.129639 0.195156 0.214584} H486 761 0.0 -1 8 {} O 0.0 {0.0682319 0.234262 0.203282} O123 762 0.0 -1 6 {} C 0.0 {0.0584557 0.277902 0.180238} C123 763 0.0 -1 1 {} H 0.0 {0.0555721 0.293474 0.206576} H487 764 0.0 -1 1 {} H 0.0 {0.0763125 0.295216 0.161978} H488 765 0.0 -1 1 {} H 0.0 {0.0313188 0.275221 0.165239} H489 766 0.0 -1 8 {} O 0.0 {0.0696339 0.243299 0.115035} O124 767 0.0 -1 6 {} C 0.0 {0.103786 0.217586 0.0893047} C124 768 0.0 -1 1 {} H 0.0 {0.100236 0.189168 0.0977625} H490 769 0.0 -1 1 {} H 0.0 {0.0943646 0.223844 0.060575} H491 770 0.0 -1 1 {} H 0.0 {0.133683 0.221677 0.0858315} H492 771 0.0 -1 1 {} H 0.0 {0.126247 0.754611 0.119436} H493 772 0.0 -1 1 {} H 0.0 {0.0669865 0.265007 0.100723} H494 773 0.0 -1 1 {} H 0.0 {0.124377 0.312409 0.104135} H495 774 0.0 -1 1 {} H 0.0 {0.117402 0.184222 0.150989} H496 775 0.0 -1 14 {} Si 0.0 {0.307776 0.184783 0.385115} Si32 776 0.0 -1 8 {} O 0.0 {0.303717 0.1477 0.341454} O125 777 0.0 -1 6 {} C 0.0 {0.26022 0.172298 0.33326} C125 778 0.0 -1 1 {} H 0.0 {0.241671 0.149157 0.331504} H497 779 0.0 -1 1 {} H 0.0 {0.242531 0.191287 0.351402} H498 780 0.0 -1 1 {} H 0.0 {0.262224 0.18895 0.307064} H499 781 0.0 -1 8 {} O 0.0 {0.286925 0.234199 0.359139} O126 782 0.0 -1 6 {} C 0.0 {0.28286 0.247912 0.406866} C126 783 0.0 -1 1 {} H 0.0 {0.292726 0.230284 0.430456} H500 784 0.0 -1 1 {} H 0.0 {0.29962 0.274462 0.408648} H501 785 0.0 -1 1 {} H 0.0 {0.253987 0.251426 0.41141} H502 786 0.0 -1 8 {} O 0.0 {0.320358 0.143649 0.425753} O127 787 0.0 -1 6 {} C 0.0 {0.282602 0.167615 0.449064} C127 788 0.0 -1 1 {} H 0.0 {0.259067 0.183953 0.439311} H503 789 0.0 -1 1 {} H 0.0 {0.270076 0.141465 0.457444} H504 790 0.0 -1 1 {} H 0.0 {0.297453 0.180878 0.470487} H505 791 0.0 -1 8 {} O 0.0 {0.362447 0.197614 0.368771} O128 792 0.0 -1 6 {} C 0.0 {0.384901 0.241323 0.375181} C128 793 0.0 -1 1 {} H 0.0 {0.412969 0.245156 0.36329} H506 794 0.0 -1 1 {} H 0.0 {0.365819 0.262914 0.365081} H507 795 0.0 -1 1 {} H 0.0 {0.387462 0.243339 0.405814} H508 796 0.0 -1 1 {} H 0.0 {0.305608 0.661048 0.339679} H509 797 0.0 -1 1 {} H 0.0 {0.378277 0.184448 0.38828} H510 798 0.0 -1 1 {} H 0.0 {0.320534 0.159089 0.323034} H511 799 0.0 -1 1 {} H 0.0 {0.311998 0.244503 0.352221} H512 800 0.0 -1 14 {} Si 0.0 {0.30251 0.311441 0.48018} Si33 801 0.0 -1 8 {} O 0.0 {0.294908 0.363363 0.453691} O129 802 0.0 -1 6 {} C 0.0 {0.313707 0.409287 0.452943} C129 803 0.0 -1 1 {} H 0.0 {0.340265 0.407102 0.437468} H513 804 0.0 -1 1 {} H 0.0 {0.29427 0.427397 0.437736} H514 805 0.0 -1 1 {} H 0.0 {0.316327 0.422016 0.478442} H515 806 0.0 -1 8 {} O 0.0 {0.272585 0.315511 0.53139} O130 807 0.0 -1 6 {} C 0.0 {0.315423 0.340621 0.538368} C130 808 0.0 -1 1 {} H 0.0 {0.335816 0.322608 0.552413} H516 809 0.0 -1 1 {} H 0.0 {0.33115 0.359302 0.518921} H517 810 0.0 -1 1 {} H 0.0 {0.308532 0.366389 0.554859} H518 811 0.0 -1 8 {} O 0.0 {0.249863 0.299976 0.454406} O131 812 0.0 -1 6 {} C 0.0 {0.252328 0.263008 0.486727} C131 813 0.0 -1 1 {} H 0.0 {0.274901 0.252848 0.50591} H519 814 0.0 -1 1 {} H 0.0 {0.229816 0.269329 0.506209} H520 815 0.0 -1 1 {} H 0.0 {0.243198 0.239408 0.46955} H521 816 0.0 -1 8 {} O 0.0 {0.344574 0.301288 0.43692} O132 817 0.0 -1 6 {} C 0.0 {0.3509 0.263775 0.468042} C132 818 0.0 -1 1 {} H 0.0 {0.381952 0.266472 0.466852} H522 819 0.0 -1 1 {} H 0.0 {0.347961 0.259338 0.496873} H523 820 0.0 -1 1 {} H 0.0 {0.337855 0.238308 0.457068} H524 821 0.0 -1 1 {} H 0.0 {0.339994 0.591343 0.512218} H525 822 0.0 -1 1 {} H 0.0 {0.365986 0.315253 0.443303} H526 823 0.0 -1 1 {} H 0.0 {0.271591 0.368285 0.465944} H527 824 0.0 -1 1 {} H 0.0 {0.25597 0.335403 0.521789} H528 825 0.0 -1 14 {} Si 0.0 {0.182067 0.262711 0.786736} Si34 826 0.0 -1 8 {} O 0.0 {0.136988 0.238063 0.762571} O133 827 0.0 -1 6 {} C 0.0 {0.137055 0.284055 0.740647} C133 828 0.0 -1 1 {} H 0.0 {0.152801 0.308525 0.748307} H529 829 0.0 -1 1 {} H 0.0 {0.145216 0.276163 0.711334} H530 830 0.0 -1 1 {} H 0.0 {0.108449 0.29279 0.744236} H531 831 0.0 -1 8 {} O 0.0 {0.212641 0.266375 0.736243} O134 832 0.0 -1 6 {} C 0.0 {0.247112 0.277719 0.769044} C134 833 0.0 -1 1 {} H 0.0 {0.24798 0.269634 0.798538} H532 834 0.0 -1 1 {} H 0.0 {0.268904 0.256571 0.759984} H533 835 0.0 -1 1 {} H 0.0 {0.25614 0.306566 0.770895} H534 836 0.0 -1 8 {} O 0.0 {0.163513 0.264187 0.84462} O135 837 0.0 -1 6 {} C 0.0 {0.17693 0.310894 0.839381} C135 838 0.0 -1 1 {} H 0.0 {0.206047 0.315008 0.844359} H535 839 0.0 -1 1 {} H 0.0 {0.170503 0.328495 0.815914} H536 840 0.0 -1 1 {} H 0.0 {0.162579 0.326492 0.858571} H537 841 0.0 -1 8 {} O 0.0 {0.211864 0.212649 0.802745} O136 842 0.0 -1 6 {} C 0.0 {0.248179 0.188497 0.781587} C136 843 0.0 -1 1 {} H 0.0 {0.271653 0.207827 0.77814} H538 844 0.0 -1 1 {} H 0.0 {0.255559 0.166808 0.799383} H539 845 0.0 -1 1 {} H 0.0 {0.238866 0.180126 0.753841} H540 846 0.0 -1 1 {} H 0.0 {0.340365 0.37539 0.650392} H541 847 0.0 -1 1 {} H 0.0 {0.221781 0.220337 0.827259} H542 848 0.0 -1 1 {} H 0.0 {0.116813 0.242471 0.782762} H543 849 0.0 -1 1 {} H 0.0 {0.220869 0.23875 0.73433} H544 850 0.0 -1 14 {} Si 0.0 {0.274363 0.0912368 0.953898} Si35 851 0.0 -1 8 {} O 0.0 {0.271898 0.0535287 0.909571} O137 852 0.0 -1 6 {} C 0.0 {0.251407 0.00937129 0.90684} C137 853 0.0 -1 1 {} H 0.0 {0.222086 0.0124284 0.902066} H545 854 0.0 -1 1 {} H 0.0 {0.260697 0.992482 0.884551} H546 855 0.0 -1 1 {} H 0.0 {0.258643 0.997422 0.933502} H547 856 0.0 -1 8 {} O 0.0 {0.333305 0.0849193 0.950862} O138 857 0.0 -1 6 {} C 0.0 {0.322192 0.0928984 0.999154} C138 858 0.0 -1 1 {} H 0.0 {0.317096 0.064832 0.0103404} H548 859 0.0 -1 1 {} H 0.0 {0.3507 0.10405 0.00646392} H549 860 0.0 -1 1 {} H 0.0 {0.304389 0.11326 0.0115007} H550 861 0.0 -1 8 {} O 0.0 {0.261683 0.138604 0.922527} O139 862 0.0 -1 6 {} C 0.0 {0.248464 0.15452 0.967438} C139 863 0.0 -1 1 {} H 0.0 {0.218253 0.157446 0.967811} H551 864 0.0 -1 1 {} H 0.0 {0.256237 0.138985 0.992006} H552 865 0.0 -1 1 {} H 0.0 {0.266227 0.178708 0.973258} H553 866 0.0 -1 8 {} O 0.0 {0.21743 0.0884202 0.976207} O140 867 0.0 -1 6 {} C 0.0 {0.23175 0.0440885 0.989611} C140 868 0.0 -1 1 {} H 0.0 {0.256928 0.031841 0.979368} H554 869 0.0 -1 1 {} H 0.0 {0.233191 0.0427022 0.0207569} H555 870 0.0 -1 1 {} H 0.0 {0.211547 0.0248496 0.978487} H556 871 0.0 -1 1 {} H 0.0 {0.295438 0.27172 0.92792} H557 872 0.0 -1 1 {} H 0.0 {0.204196 0.0829245 0.952344} H558 873 0.0 -1 1 {} H 0.0 {0.29913 0.0476177 0.903994} H559 874 0.0 -1 1 {} H 0.0 {0.343458 0.108663 0.946318} H560 875 0.0 -1 14 {} Si 0.0 {0.270343 0.412925 0.208762} Si36 876 0.0 -1 8 {} O 0.0 {0.256186 0.365766 0.180182} O141 877 0.0 -1 6 {} C 0.0 {0.212069 0.370352 0.204507} C141 878 0.0 -1 1 {} H 0.0 {0.191402 0.382852 0.185823} H561 879 0.0 -1 1 {} H 0.0 {0.208041 0.340298 0.205927} H562 880 0.0 -1 1 {} H 0.0 {0.207353 0.378321 0.232405} H563 881 0.0 -1 8 {} O 0.0 {0.292635 0.424283 0.261581} O142 882 0.0 -1 6 {} C 0.0 {0.305929 0.375458 0.256857} C142 883 0.0 -1 1 {} H 0.0 {0.304716 0.35417 0.235795} H564 884 0.0 -1 1 {} H 0.0 {0.334538 0.381768 0.258963} H565 885 0.0 -1 1 {} H 0.0 {0.292252 0.361288 0.279797} H566 886 0.0 -1 8 {} O 0.0 {0.294279 0.43601 0.178197} O143 887 0.0 -1 6 {} C 0.0 {0.321684 0.419544 0.142884} C143 888 0.0 -1 1 {} H 0.0 {0.305399 0.403355 0.124107} H567 889 0.0 -1 1 {} H 0.0 {0.333917 0.443413 0.129686} H568 890 0.0 -1 1 {} H 0.0 {0.343227 0.401632 0.153129} H569 891 0.0 -1 8 {} O 0.0 {0.218509 0.440969 0.213175} O144 892 0.0 -1 6 {} C 0.0 {0.19862 0.460951 0.251682} C144 893 0.0 -1 1 {} H 0.0 {0.172828 0.474778 0.243721} H570 894 0.0 -1 1 {} H 0.0 {0.192838 0.442406 0.275468} H571 895 0.0 -1 1 {} H 0.0 {0.217588 0.480349 0.263116} H572 896 0.0 -1 1 {} H 0.0 {0.232831 0.878891 0.184344} H573 897 0.0 -1 1 {} H 0.0 {0.22348 0.464038 0.198821} H574 898 0.0 -1 1 {} H 0.0 {0.266283 0.344174 0.19511} H575 899 0.0 -1 1 {} H 0.0 {0.313408 0.43908 0.251049} H576 900 0.0 -1 14 {} Si 0.0 {0.321201 0.65913 0.266222} Si37 901 0.0 -1 8 {} O 0.0 {0.139395 0.757995 0.143862} O145 902 0.0 -1 6 {} C 0.0 {0.138797 0.710092 0.15846} C145 903 0.0 -1 1 {} H 0.0 {0.111013 0.69829 0.160211} H577 904 0.0 -1 1 {} H 0.0 {0.154811 0.695314 0.136579} H578 905 0.0 -1 1 {} H 0.0 {0.151617 0.707836 0.186161} H579 906 0.0 -1 8 {} O 0.0 {0.368368 0.629946 0.251885} O146 907 0.0 -1 6 {} C 0.0 {0.362458 0.664963 0.215915} C146 908 0.0 -1 1 {} H 0.0 {0.345709 0.653432 0.193199} H580 909 0.0 -1 1 {} H 0.0 {0.356307 0.693724 0.219115} H581 910 0.0 -1 1 {} H 0.0 {0.391772 0.66816 0.205093} H582 911 0.0 -1 8 {} O 0.0 {0.328561 0.674018 0.306987} O147 912 0.0 -1 6 {} C 0.0 {0.319128 0.722694 0.308186} C147 913 0.0 -1 1 {} H 0.0 {0.336806 0.739732 0.29102} H583 914 0.0 -1 1 {} H 0.0 {0.291403 0.733225 0.300926} H584 915 0.0 -1 1 {} H 0.0 {0.326578 0.725207 0.337665} H585 916 0.0 -1 8 {} O 0.0 {0.276086 0.624217 0.271524} O148 917 0.0 -1 6 {} C 0.0 {0.260283 0.657015 0.237202} C148 918 0.0 -1 1 {} H 0.0 {0.278246 0.677341 0.224452} H586 919 0.0 -1 1 {} H 0.0 {0.251991 0.638663 0.214115} H587 920 0.0 -1 1 {} H 0.0 {0.23893 0.669018 0.2559} H588 921 0.0 -1 1 {} H 0.0 {0.197941 0.698301 0.371377} H589 922 0.0 -1 1 {} H 0.0 {0.284192 0.604446 0.252441} H590 923 0.0 -1 1 {} H 0.0 {0.119407 0.768345 0.159714} H591 924 0.0 -1 1 {} H 0.0 {0.389063 0.64251 0.264856} H592 925 0.0 -1 14 {} Si 0.0 {0.369404 0.526264 0.51508} Si38 926 0.0 -1 8 {} O 0.0 {0.399059 0.514236 0.464409} O149 927 0.0 -1 6 {} C 0.0 {0.402496 0.563073 0.468371} C149 928 0.0 -1 1 {} H 0.0 {0.394223 0.580749 0.492358} H593 929 0.0 -1 1 {} H 0.0 {0.432832 0.562684 0.470652} H594 930 0.0 -1 1 {} H 0.0 {0.385735 0.57492 0.445664} H595 931 0.0 -1 8 {} O 0.0 {0.401224 0.498134 0.55956} O150 932 0.0 -1 6 {} C 0.0 {0.411625 0.543725 0.573786} C150 933 0.0 -1 1 {} H 0.0 {0.403848 0.543363 0.604034} H596 934 0.0 -1 1 {} H 0.0 {0.442027 0.548901 0.569974} H597 935 0.0 -1 1 {} H 0.0 {0.401149 0.567178 0.557586} H598 936 0.0 -1 8 {} O 0.0 {0.333643 0.572157 0.495912} O151 937 0.0 -1 6 {} C 0.0 {0.303197 0.546338 0.525956} C151 938 0.0 -1 1 {} H 0.0 {0.307136 0.524333 0.544802} H599 939 0.0 -1 1 {} H 0.0 {0.290419 0.567998 0.543084} H600 940 0.0 -1 1 {} H 0.0 {0.283018 0.533485 0.509131} H601 941 0.0 -1 8 {} O 0.0 {0.331956 0.478202 0.504177} O152 942 0.0 -1 6 {} C 0.0 {0.372603 0.452495 0.501754} C152 943 0.0 -1 1 {} H 0.0 {0.374739 0.439856 0.476106} H602 944 0.0 -1 1 {} H 0.0 {0.40015 0.464474 0.508857} H603 945 0.0 -1 1 {} H 0.0 {0.367801 0.43201 0.523778} H604 946 0.0 -1 1 {} H 0.0 {0.224465 0.651362 0.496292} H605 947 0.0 -1 1 {} H 0.0 {0.323176 0.467224 0.528621} H606 948 0.0 -1 1 {} H 0.0 {0.376813 0.513988 0.447775} H607 949 0.0 -1 1 {} H 0.0 {0.378143 0.495436 0.574351} H608 950 0.0 -1 14 {} Si 0.0 {0.316888 0.431851 0.615783} Si39 951 0.0 -1 8 {} O 0.0 {0.284817 0.428547 0.566806} O153 952 0.0 -1 6 {} C 0.0 {0.258361 0.463825 0.587499} C153 953 0.0 -1 1 {} H 0.0 {0.232382 0.449251 0.590239} H609 954 0.0 -1 1 {} H 0.0 {0.261313 0.473774 0.616849} H610 955 0.0 -1 1 {} H 0.0 {0.259031 0.48678 0.56884} H611 956 0.0 -1 8 {} O 0.0 {0.322747 0.491544 0.608159} O154 957 0.0 -1 6 {} C 0.0 {0.332322 0.485727 0.656041} C154 958 0.0 -1 1 {} H 0.0 {0.309227 0.49071 0.671683} H612 959 0.0 -1 1 {} H 0.0 {0.347448 0.467172 0.675278} H613 960 0.0 -1 1 {} H 0.0 {0.353511 0.508999 0.656536} H614 961 0.0 -1 8 {} O 0.0 {0.315693 0.379635 0.636978} O155 962 0.0 -1 6 {} C 0.0 {0.2885 0.401711 0.67309} C155 963 0.0 -1 1 {} H 0.0 {0.257394 0.395188 0.670881} H615 964 0.0 -1 1 {} H 0.0 {0.303511 0.384206 0.695607} H616 965 0.0 -1 1 {} H 0.0 {0.287423 0.428238 0.684153} H617 966 0.0 -1 8 {} O 0.0 {0.365925 0.413356 0.588007} O156 967 0.0 -1 6 {} C 0.0 {0.413886 0.419642 0.598368} C156 968 0.0 -1 1 {} H 0.0 {0.430633 0.408644 0.574845} H618 969 0.0 -1 1 {} H 0.0 {0.41921 0.449843 0.601698} H619 970 0.0 -1 1 {} H 0.0 {0.420667 0.403316 0.623863} H620 971 0.0 -1 1 {} H 0.0 {0.426885 0.646017 0.552543} H621 972 0.0 -1 1 {} H 0.0 {0.363449 0.385608 0.589888} H622 973 0.0 -1 1 {} H 0.0 {0.300306 0.446683 0.551633} H623 974 0.0 -1 1 {} H 0.0 {0.347753 0.492047 0.597687} H624 975 0.0 -1 14 {} Si 0.0 {0.23063 0.285758 0.928604} Si40 976 0.0 -1 8 {} O 0.0 {0.17392 0.265331 0.9285} O157 977 0.0 -1 6 {} C 0.0 {0.19941 0.222907 0.930257} C157 978 0.0 -1 1 {} H 0.0 {0.196376 0.206196 0.904074} H625 979 0.0 -1 1 {} H 0.0 {0.229252 0.223717 0.933546} H626 980 0.0 -1 1 {} H 0.0 {0.191767 0.206471 0.952802} H627 981 0.0 -1 8 {} O 0.0 {0.221281 0.338177 0.908206} O158 982 0.0 -1 6 {} C 0.0 {0.187537 0.337701 0.94616} C158 983 0.0 -1 1 {} H 0.0 {0.18967 0.323477 0.972405} H628 984 0.0 -1 1 {} H 0.0 {0.188786 0.366711 0.955933} H629 985 0.0 -1 1 {} H 0.0 {0.160166 0.332357 0.936451} H630 986 0.0 -1 8 {} O 0.0 {0.287071 0.29337 0.941287} O159 987 0.0 -1 6 {} C 0.0 {0.27151 0.275916 0.985079} C159 988 0.0 -1 1 {} H 0.0 {0.246998 0.257618 0.985753} H631 989 0.0 -1 1 {} H 0.0 {0.29432 0.25677 0.989812} H632 990 0.0 -1 1 {} H 0.0 {0.270462 0.299668 0.00608714} H633 991 0.0 -1 8 {} O 0.0 {0.251895 0.264863 0.877016} O160 992 0.0 -1 6 {} C 0.0 {0.285215 0.230024 0.874474} C160 993 0.0 -1 1 {} H 0.0 {0.280758 0.209527 0.896614} H634 994 0.0 -1 1 {} H 0.0 {0.286017 0.217903 0.847866} H635 995 0.0 -1 1 {} H 0.0 {0.312479 0.242252 0.878503} H636 996 0.0 -1 1 {} H 0.0 {0.304595 0.352911 0.961447} H637 997 0.0 -1 1 {} H 0.0 {0.231279 0.252224 0.863369} H638 998 0.0 -1 1 {} H 0.0 {0.168429 0.262733 0.902349} H639 999 0.0 -1 1 {} H 0.0 {0.240144 0.353157 0.921678} H640 1000 0.0 -1 14 {} Si 0.0 {0.220906 0.81503 0.203018} Si41 1001 0.0 -1 8 {} O 0.0 {0.163899 0.83745 0.19853} O161 1002 0.0 -1 6 {} C 0.0 {0.167031 0.823956 0.24505} C161 1003 0.0 -1 1 {} H 0.0 {0.144613 0.804529 0.243712} H641 1004 0.0 -1 1 {} H 0.0 {0.180359 0.805938 0.266035} H642 1005 0.0 -1 1 {} H 0.0 {0.164268 0.851264 0.258292} H643 1006 0.0 -1 8 {} O 0.0 {0.262481 0.771921 0.211423} O162 1007 0.0 -1 6 {} C 0.0 {0.223981 0.749544 0.189657} C162 1008 0.0 -1 1 {} H 0.0 {0.218996 0.726595 0.209085} H644 1009 0.0 -1 1 {} H 0.0 {0.19576 0.75621 0.186588} H645 1010 0.0 -1 1 {} H 0.0 {0.231224 0.741496 0.161728} H646 1011 0.0 -1 8 {} O 0.0 {0.246496 0.856471 0.174082} O163 1012 0.0 -1 6 {} C 0.0 {0.214604 0.840274 0.138734} C163 1013 0.0 -1 1 {} H 0.0 {0.185703 0.832109 0.135372} H647 1014 0.0 -1 1 {} H 0.0 {0.21078 0.866115 0.124969} H648 1015 0.0 -1 1 {} H 0.0 {0.231151 0.820119 0.123613} H649 1016 0.0 -1 8 {} O 0.0 {0.238027 0.839346 0.254892} O164 1017 0.0 -1 6 {} C 0.0 {0.228507 0.883604 0.274017} C164 1018 0.0 -1 1 {} H 0.0 {0.199487 0.887776 0.280103} H650 1019 0.0 -1 1 {} H 0.0 {0.241854 0.887355 0.300518} H651 1020 0.0 -1 1 {} H 0.0 {0.240848 0.905738 0.259159} H652 1021 0.0 -1 1 {} H 0.0 {0.388768 0.863683 0.151488} H653 1022 0.0 -1 1 {} H 0.0 {0.264341 0.842645 0.252719} H654 1023 0.0 -1 1 {} H 0.0 {0.15094 0.815768 0.189103} H655 1024 0.0 -1 1 {} H 0.0 {0.257546 0.768198 0.236754} H656 1025 0.0 -1 14 {} Si 0.0 {0.149412 0.723603 0.334474} Si42 1026 0.0 -1 8 {} O 0.0 {0.140644 0.742533 0.389644} O165 1027 0.0 -1 6 {} C 0.0 {0.110185 0.702613 0.383785} C165 1028 0.0 -1 1 {} H 0.0 {0.11963 0.691648 0.411996} H657 1029 0.0 -1 1 {} H 0.0 {0.0836329 0.717211 0.381812} H658 1030 0.0 -1 1 {} H 0.0 {0.1064 0.675244 0.373404} H659 1031 0.0 -1 8 {} O 0.0 {0.177379 0.775831 0.330004} O166 1032 0.0 -1 6 {} C 0.0 {0.226224 0.773903 0.32581} C166 1033 0.0 -1 1 {} H 0.0 {0.237099 0.759716 0.351652} H660 1034 0.0 -1 1 {} H 0.0 {0.233288 0.757511 0.300654} H661 1035 0.0 -1 1 {} H 0.0 {0.238009 0.801055 0.32095} H662 1036 0.0 -1 8 {} O 0.0 {0.20286 0.703064 0.344884} O167 1037 0.0 -1 6 {} C 0.0 {0.185885 0.662706 0.321336} C167 1038 0.0 -1 1 {} H 0.0 {0.199286 0.668361 0.295946} H663 1039 0.0 -1 1 {} H 0.0 {0.199861 0.641823 0.338633} H664 1040 0.0 -1 1 {} H 0.0 {0.159457 0.653102 0.313601} H665 1041 0.0 -1 8 {} O 0.0 {0.12528 0.74387 0.283923} O168 1042 0.0 -1 6 {} C 0.0 {0.109372 0.696593 0.283343} C168 1043 0.0 -1 1 {} H 0.0 {0.0817101 0.691806 0.293751} H666 1044 0.0 -1 1 {} H 0.0 {0.111674 0.693571 0.25342} H667 1045 0.0 -1 1 {} H 0.0 {0.129285 0.676941 0.291272} H668 1046 0.0 -1 1 {} H 0.0 {0.236397 0.00907666 0.0605938} H669 1047 0.0 -1 1 {} H 0.0 {0.146693 0.7419 0.26823} H670 1048 0.0 -1 1 {} H 0.0 {0.161579 0.729222 0.400388} H671 1049 0.0 -1 1 {} H 0.0 {0.17584 0.789175 0.354613} H672 1050 0.0 -1 14 {} Si 0.0 {0.247269 0.656128 0.432707} Si43 1051 0.0 -1 8 {} O 0.0 {0.281262 0.667026 0.363147} O169 1052 0.0 -1 6 {} C 0.0 {0.271186 0.620148 0.374506} C169 1053 0.0 -1 1 {} H 0.0 {0.297897 0.605985 0.376406} H673 1054 0.0 -1 1 {} H 0.0 {0.253264 0.605582 0.394435} H674 1055 0.0 -1 1 {} H 0.0 {0.254935 0.615334 0.35045} H675 1056 0.0 -1 8 {} O 0.0 {0.200001 0.69144 0.430775} O170 1057 0.0 -1 6 {} C 0.0 {0.179834 0.645617 0.423773} C170 1058 0.0 -1 1 {} H 0.0 {0.170496 0.648216 0.395066} H676 1059 0.0 -1 1 {} H 0.0 {0.194226 0.619529 0.427376} H677 1060 0.0 -1 1 {} H 0.0 {0.157803 0.644211 0.444784} H678 1061 0.0 -1 8 {} O 0.0 {0.22529 0.62976 0.482021} O171 1062 0.0 -1 6 {} C 0.0 {0.27363 0.618054 0.483796} C171 1063 0.0 -1 1 {} H 0.0 {0.271551 0.58788 0.4837} H679 1064 0.0 -1 1 {} H 0.0 {0.295861 0.624869 0.462466} H680 1065 0.0 -1 1 {} H 0.0 {0.286471 0.62994 0.508902} H681 1066 0.0 -1 8 {} O 0.0 {0.272787 0.693602 0.469529} O172 1067 0.0 -1 6 {} C 0.0 {0.264986 0.72341 0.429809} C172 1068 0.0 -1 1 {} H 0.0 {0.294022 0.732199 0.424357} H682 1069 0.0 -1 1 {} H 0.0 {0.258502 0.713598 0.402533} H683 1070 0.0 -1 1 {} H 0.0 {0.244619 0.74416 0.434432} H684 1071 0.0 -1 1 {} H 0.0 {0.404423 0.862848 0.408038} H685 1072 0.0 -1 1 {} H 0.0 {0.297951 0.686445 0.463771} H686 1073 0.0 -1 1 {} H 0.0 {0.258051 0.672179 0.348906} H687 1074 0.0 -1 1 {} H 0.0 {0.19727 0.694245 0.459719} H688 1075 0.0 -1 14 {} Si 0.0 {0.385691 0.638918 0.606984} Si44 1076 0.0 -1 8 {} O 0.0 {0.395594 0.69492 0.599521} O173 1077 0.0 -1 6 {} C 0.0 {0.376605 0.694211 0.646505} C173 1078 0.0 -1 1 {} H 0.0 {0.350173 0.709274 0.648293} H689 1079 0.0 -1 1 {} H 0.0 {0.376208 0.673514 0.667808} H690 1080 0.0 -1 1 {} H 0.0 {0.398138 0.712398 0.659626} H691 1081 0.0 -1 8 {} O 0.0 {0.35884 0.624299 0.554411} O174 1082 0.0 -1 6 {} C 0.0 {0.321414 0.622647 0.586722} C174 1083 0.0 -1 1 {} H 0.0 {0.323083 0.636531 0.614113} H692 1084 0.0 -1 1 {} H 0.0 {0.301059 0.63795 0.571905} H693 1085 0.0 -1 1 {} H 0.0 {0.317246 0.593418 0.588491} H694 1086 0.0 -1 8 {} O 0.0 {0.432756 0.629593 0.574074} O175 1087 0.0 -1 6 {} C 0.0 {0.478131 0.646474 0.582429} C175 1088 0.0 -1 1 {} H 0.0 {0.476519 0.676921 0.588112} H695 1089 0.0 -1 1 {} H 0.0 {0.489496 0.631978 0.606292} H696 1090 0.0 -1 1 {} H 0.0 {0.496123 0.643429 0.557648} H697 1091 0.0 -1 8 {} O 0.0 {0.413464 0.617688 0.656766} O176 1092 0.0 -1 6 {} C 0.0 {0.369126 0.597334 0.6614} C176 1093 0.0 -1 1 {} H 0.0 {0.380645 0.57228 0.676674} H698 1094 0.0 -1 1 {} H 0.0 {0.348609 0.614151 0.678152} H699 1095 0.0 -1 1 {} H 0.0 {0.354048 0.583186 0.639185} H700 1096 0.0 -1 1 {} H 0.0 {0.182134 0.860946 0.544711} H701 1097 0.0 -1 1 {} H 0.0 {0.426552 0.595307 0.645122} H702 1098 0.0 -1 1 {} H 0.0 {0.421956 0.697799 0.604864} H703 1099 0.0 -1 1 {} H 0.0 {0.35452 0.648806 0.543117} H704 1100 0.0 -1 14 {} Si 0.0 {0.326941 0.398978 0.00940525} Si45 1101 0.0 -1 8 {} O 0.0 {0.339984 0.456186 0.000130588} O177 1102 0.0 -1 6 {} C 0.0 {0.31168 0.461626 0.0411823} C177 1103 0.0 -1 1 {} H 0.0 {0.327364 0.481966 0.0578016} H705 1104 0.0 -1 1 {} H 0.0 {0.285627 0.471685 0.0301008} H706 1105 0.0 -1 1 {} H 0.0 {0.305577 0.438633 0.0610986} H707 1106 0.0 -1 8 {} O 0.0 {0.364152 0.397086 0.0566073} O178 1107 0.0 -1 6 {} C 0.0 {0.350585 0.35057 0.0587332} C178 1108 0.0 -1 1 {} H 0.0 {0.374453 0.333127 0.0519793} H708 1109 0.0 -1 1 {} H 0.0 {0.342163 0.350328 0.0887833} H709 1110 0.0 -1 1 {} H 0.0 {0.326806 0.343936 0.0413371} H710 1111 0.0 -1 8 {} O 0.0 {0.295843 0.379952 0.964315} O179 1112 0.0 -1 6 {} C 0.0 {0.266036 0.378505 0.00409435} C179 1113 0.0 -1 1 {} H 0.0 {0.250874 0.402053 0.0126485} H711 1114 0.0 -1 1 {} H 0.0 {0.246583 0.360045 0.987534} H712 1115 0.0 -1 1 {} H 0.0 {0.271796 0.363149 0.0299905} H713 1116 0.0 -1 8 {} O 0.0 {0.375033 0.380394 0.982008} O180 1117 0.0 -1 6 {} C 0.0 {0.411823 0.411899 0.970934} C180 1118 0.0 -1 1 {} H 0.0 {0.438594 0.400914 0.978136} H714 1119 0.0 -1 1 {} H 0.0 {0.410738 0.417656 0.942132} H715 1120 0.0 -1 1 {} H 0.0 {0.409838 0.436131 0.988796} H716 1121 0.0 -1 1 {} H 0.0 {0.577279 0.210173 0.415434} H717 1122 0.0 -1 1 {} H 0.0 {0.361129 0.377494 0.95627} H718 1123 0.0 -1 1 {} H 0.0 {0.363775 0.458602 0.0100216} H719 1124 0.0 -1 1 {} H 0.0 {0.387614 0.393454 0.0404385} H720 1125 0.0 -1 14 {} Si 0.0 {0.351794 0.877752 0.207731} Si46 1126 0.0 -1 8 {} O 0.0 {0.324812 0.848229 0.254016} O181 1127 0.0 -1 6 {} C 0.0 {0.348789 0.810315 0.235444} C181 1128 0.0 -1 1 {} H 0.0 {0.369569 0.802703 0.257579} H721 1129 0.0 -1 1 {} H 0.0 {0.32484 0.791745 0.231031} H722 1130 0.0 -1 1 {} H 0.0 {0.364313 0.806177 0.209964} H723 1131 0.0 -1 8 {} O 0.0 {0.404262 0.864701 0.231256} O182 1132 0.0 -1 6 {} C 0.0 {0.441061 0.896523 0.238683} C182 1133 0.0 -1 1 {} H 0.0 {0.433312 0.92517 0.243321} H724 1134 0.0 -1 1 {} H 0.0 {0.461008 0.883417 0.25705} H725 1135 0.0 -1 1 {} H 0.0 {0.453297 0.898696 0.212919} H726 1136 0.0 -1 8 {} O 0.0 {0.372533 0.886288 0.152527} O183 1137 0.0 -1 6 {} C 0.0 {0.3282 0.864879 0.147593} C183 1138 0.0 -1 1 {} H 0.0 {0.310758 0.888646 0.139163} H727 1139 0.0 -1 1 {} H 0.0 {0.337093 0.844384 0.124383} H728 1140 0.0 -1 1 {} H 0.0 {0.315304 0.844346 0.166414} H729 1141 0.0 -1 8 {} O 0.0 {0.352526 0.933925 0.226644} O184 1142 0.0 -1 6 {} C 0.0 {0.305997 0.916252 0.234425} C184 1143 0.0 -1 1 {} H 0.0 {0.294619 0.942148 0.220815} H730 1144 0.0 -1 1 {} H 0.0 {0.2908 0.895958 0.217196} H731 1145 0.0 -1 1 {} H 0.0 {0.299909 0.911337 0.263153} H732 1146 0.0 -1 1 {} H 0.0 {0.404151 0.937943 0.0861717} H733 1147 0.0 -1 1 {} H 0.0 {0.363713 0.925042 0.250298} H734 1148 0.0 -1 1 {} H 0.0 {0.340526 0.854357 0.27668} H735 1149 0.0 -1 1 {} H 0.0 {0.398676 0.861481 0.258689} H736 1150 0.0 -1 14 {} Si 0.0 {0.186521 0.965036 0.0541917} Si47 1151 0.0 -1 8 {} O 0.0 {0.160752 0.0182557 0.051289} O185 1152 0.0 -1 6 {} C 0.0 {0.156478 0.00716046 0.0987075} C185 1153 0.0 -1 1 {} H 0.0 {0.128101 0.996213 0.101579} H737 1154 0.0 -1 1 {} H 0.0 {0.173632 0.988948 0.115814} H738 1155 0.0 -1 1 {} H 0.0 {0.159022 0.0337584 0.113783} H739 1156 0.0 -1 8 {} O 0.0 {0.185704 0.969255 0.995124} O186 1157 0.0 -1 6 {} C 0.0 {0.156332 0.984538 0.959077} C186 1158 0.0 -1 1 {} H 0.0 {0.155743 0.0136521 0.961217} H740 1159 0.0 -1 1 {} H 0.0 {0.167644 0.976289 0.932515} H741 1160 0.0 -1 1 {} H 0.0 {0.128762 0.974549 0.960309} H742 1161 0.0 -1 8 {} O 0.0 {0.242132 0.982672 0.0525784} O187 1162 0.0 -1 6 {} C 0.0 {0.246941 0.958433 0.0960636} C187 1163 0.0 -1 1 {} H 0.0 {0.264108 0.934048 0.0876342} H743 1164 0.0 -1 1 {} H 0.0 {0.263646 0.980491 0.111967} H744 1165 0.0 -1 1 {} H 0.0 {0.228801 0.952069 0.120216} H745 1166 0.0 -1 8 {} O 0.0 {0.197015 0.908192 0.0667374} O188 1167 0.0 -1 6 {} C 0.0 {0.150909 0.905275 0.0475733} C188 1168 0.0 -1 1 {} H 0.0 {0.147257 0.875502 0.0428546} H746 1169 0.0 -1 1 {} H 0.0 {0.132324 0.914478 0.0704417} H747 1170 0.0 -1 1 {} H 0.0 {0.148538 0.918204 0.0201958} H748 1171 0.0 -1 1 {} H 0.0 {0.115077 0.104585 0.231958} H749 1172 0.0 -1 1 {} H 0.0 {0.210273 0.901348 0.0444428} H750 1173 0.0 -1 1 {} H 0.0 {0.182099 0.0344948 0.0524172} H751 1174 0.0 -1 1 {} H 0.0 {0.192006 0.943287 0.987085} H752 1175 0.0 -1 14 {} Si 0.0 {0.347081 0.876597 0.362892} Si48 1176 0.0 -1 8 {} O 0.0 {0.329468 0.928565 0.336994} O189 1177 0.0 -1 6 {} C 0.0 {0.28656 0.915242 0.355393} C189 1178 0.0 -1 1 {} H 0.0 {0.282656 0.890726 0.374458} H753 1179 0.0 -1 1 {} H 0.0 {0.279127 0.940106 0.372064} H754 1180 0.0 -1 1 {} H 0.0 {0.2707 0.910901 0.33069} H755 1181 0.0 -1 8 {} O 0.0 {0.386711 0.853122 0.32537} O190 1182 0.0 -1 6 {} C 0.0 {0.402638 0.899764 0.322215} C190 1183 0.0 -1 1 {} H 0.0 {0.399076 0.923602 0.33918} H756 1184 0.0 -1 1 {} H 0.0 {0.432575 0.895662 0.327789} H757 1185 0.0 -1 1 {} H 0.0 {0.393618 0.908693 0.294325} H758 1186 0.0 -1 8 {} O 0.0 {0.390654 0.888571 0.403086} O191 1187 0.0 -1 6 {} C 0.0 {0.354456 0.883257 0.435341} C191 1188 0.0 -1 1 {} H 0.0 {0.36268 0.859306 0.452853} H759 1189 0.0 -1 1 {} H 0.0 {0.349968 0.909107 0.450346} H760 1190 0.0 -1 1 {} H 0.0 {0.327974 0.874092 0.424287} H761 1191 0.0 -1 8 {} O 0.0 {0.34749 0.82202 0.390935} O192 1192 0.0 -1 6 {} C 0.0 {0.3176 0.809252 0.354363} C192 1193 0.0 -1 1 {} H 0.0 {0.325473 0.779813 0.349328} H762 1194 0.0 -1 1 {} H 0.0 {0.289197 0.81161 0.364777} H763 1195 0.0 -1 1 {} H 0.0 {0.320078 0.819182 0.327068} H764 1196 0.0 -1 1 {} H 0.0 {0.23497 0.00230368 0.415312} H765 1197 0.0 -1 1 {} H 0.0 {0.373393 0.814177 0.381143} H766 1198 0.0 -1 1 {} H 0.0 {0.338262 0.945219 0.356595} H767 1199 0.0 -1 1 {} H 0.0 {0.403143 0.841461 0.342984} H768 1200 0.0 -1 14 {} Si 0.0 {0.267479 0.9876 0.625345} Si49 1201 0.0 -1 8 {} O 0.0 {0.273388 0.00688076 0.566323} O193 1202 0.0 -1 6 {} C 0.0 {0.23741 0.97515 0.563707} C193 1203 0.0 -1 1 {} H 0.0 {0.213599 0.972052 0.582795} H769 1204 0.0 -1 1 {} H 0.0 {0.22025 0.985462 0.541736} H770 1205 0.0 -1 1 {} H 0.0 {0.245928 0.94833 0.554138} H771 1206 0.0 -1 8 {} O 0.0 {0.292112 0.94497 0.658847} O194 1207 0.0 -1 6 {} C 0.0 {0.327041 0.953921 0.624004} C194 1208 0.0 -1 1 {} H 0.0 {0.327059 0.930585 0.603431} H772 1209 0.0 -1 1 {} H 0.0 {0.333112 0.9823 0.612255} H773 1210 0.0 -1 1 {} H 0.0 {0.348454 0.946252 0.645378} H774 1211 0.0 -1 8 {} O 0.0 {0.267714 0.0235879 0.649621} O195 1212 0.0 -1 6 {} C 0.0 {0.280924 0.0641728 0.627355} C195 1213 0.0 -1 1 {} H 0.0 {0.283139 0.0700894 0.598127} H775 1214 0.0 -1 1 {} H 0.0 {0.264019 0.0853231 0.640532} H776 1215 0.0 -1 1 {} H 0.0 {0.309332 0.0696096 0.634234} H777 1216 0.0 -1 8 {} O 0.0 {0.21649 0.961624 0.643667} O196 1217 0.0 -1 6 {} C 0.0 {0.169156 0.963203 0.651158} C196 1218 0.0 -1 1 {} H 0.0 {0.1581 0.934836 0.650535} H778 1219 0.0 -1 1 {} H 0.0 {0.16399 0.972007 0.679154} H779 1220 0.0 -1 1 {} H 0.0 {0.151996 0.975625 0.629742} H780 1221 0.0 -1 1 {} H 0.0 {0.279455 0.154661 0.628429} H781 1222 0.0 -1 1 {} H 0.0 {0.224503 0.956107 0.669639} H782 1223 0.0 -1 1 {} H 0.0 {0.260617 0.0295928 0.568511} H783 1224 0.0 -1 1 {} H 0.0 {0.303659 0.960358 0.679512} H784 1225 0.0 -1 14 {} Si 0.0 {0.597721 0.187426 0.352483} Si50 1226 0.0 -1 8 {} O 0.0 {0.554097 0.219858 0.329846} O197 1227 0.0 -1 6 {} C 0.0 {0.595672 0.241562 0.313927} C197 1228 0.0 -1 1 {} H 0.0 {0.581391 0.266504 0.300673} H785 1229 0.0 -1 1 {} H 0.0 {0.614612 0.253721 0.333814} H786 1230 0.0 -1 1 {} H 0.0 {0.610422 0.229356 0.290039} H787 1231 0.0 -1 8 {} O 0.0 {0.579862 0.138311 0.332934} O198 1232 0.0 -1 6 {} C 0.0 {0.625233 0.140389 0.312562} C198 1233 0.0 -1 1 {} H 0.0 {0.634166 0.111995 0.317062} H788 1234 0.0 -1 1 {} H 0.0 {0.618914 0.14603 0.283406} H789 1235 0.0 -1 1 {} H 0.0 {0.650527 0.155864 0.323336} H790 1236 0.0 -1 8 {} O 0.0 {0.58907 0.185161 0.407262} O199 1237 0.0 -1 6 {} C 0.0 {0.636363 0.203703 0.403901} C199 1238 0.0 -1 1 {} H 0.0 {0.652694 0.181121 0.415146} H791 1239 0.0 -1 1 {} H 0.0 {0.650776 0.216452 0.381284} H792 1240 0.0 -1 1 {} H 0.0 {0.632431 0.229174 0.421256} H793 1241 0.0 -1 8 {} O 0.0 {0.193097 0.887569 0.53975} O200 1242 0.0 -1 6 {} C 0.0 {0.178472 0.908043 0.582401} C200 1243 0.0 -1 1 {} H 0.0 {0.186586 0.937115 0.585631} H794 1244 0.0 -1 1 {} H 0.0 {0.148863 0.907708 0.582079} H795 1245 0.0 -1 1 {} H 0.0 {0.188344 0.891435 0.604111} H796 1246 0.0 -1 1 {} H 0.0 {0.107212 0.848217 0.733584} H797 1247 0.0 -1 1 {} H 0.0 {0.223338 0.88466 0.54609} H798 1248 0.0 -1 1 {} H 0.0 {0.549514 0.207105 0.306892} H799 1249 0.0 -1 1 {} H 0.0 {0.585322 0.123271 0.354814} H800 1250 0.0 -1 14 {} Si 0.0 {0.497335 0.176153 0.104695} Si51 1251 0.0 -1 8 {} O 0.0 {0.496629 0.117828 0.103294} O201 1252 0.0 -1 6 {} C 0.0 {0.527922 0.12543 0.0654754} C201 1253 0.0 -1 1 {} H 0.0 {0.518694 0.103753 0.0462096} H801 1254 0.0 -1 1 {} H 0.0 {0.530231 0.145041 0.0442179} H802 1255 0.0 -1 1 {} H 0.0 {0.557075 0.125091 0.0749159} H803 1256 0.0 -1 8 {} O 0.0 {0.494879 0.231307 0.0846702} O202 1257 0.0 -1 6 {} C 0.0 {0.456721 0.210585 0.0587066} C202 1258 0.0 -1 1 {} H 0.0 {0.430865 0.223061 0.0669949} H804 1259 0.0 -1 1 {} H 0.0 {0.46687 0.223026 0.0316057} H805 1260 0.0 -1 1 {} H 0.0 {0.453468 0.180824 0.0525836} H806 1261 0.0 -1 8 {} O 0.0 {0.441061 0.183841 0.124834} O203 1262 0.0 -1 6 {} C 0.0 {0.396941 0.167113 0.110458} C203 1263 0.0 -1 1 {} H 0.0 {0.374753 0.184603 0.12279} H807 1264 0.0 -1 1 {} H 0.0 {0.394854 0.172364 0.0817301} H808 1265 0.0 -1 1 {} H 0.0 {0.390252 0.139657 0.114946} H809 1266 0.0 -1 8 {} O 0.0 {0.520456 0.190472 0.15789} O204 1267 0.0 -1 6 {} C 0.0 {0.555039 0.205339 0.125834} C204 1268 0.0 -1 1 {} H 0.0 {0.554097 0.234452 0.132} H810 1269 0.0 -1 1 {} H 0.0 {0.581222 0.192159 0.135089} H811 1270 0.0 -1 1 {} H 0.0 {0.5552 0.200895 0.0966062} H812 1271 0.0 -1 1 {} H 0.0 {0.251682 0.222544 0.220844} H813 1272 0.0 -1 1 {} H 0.0 {0.507788 0.215269 0.159821} H814 1273 0.0 -1 1 {} H 0.0 {0.473151 0.11629 0.0872649} H815 1274 0.0 -1 1 {} H 0.0 {0.514744 0.232005 0.0650076} H816 1275 0.0 -1 14 {} Si 0.0 {0.422833 0.150115 0.271551} Si52 1276 0.0 -1 8 {} O 0.0 {0.444905 0.194652 0.30424} O205 1277 0.0 -1 6 {} C 0.0 {0.470705 0.155207 0.319898} C205 1278 0.0 -1 1 {} H 0.0 {0.498247 0.169028 0.319104} H817 1279 0.0 -1 1 {} H 0.0 {0.464341 0.147884 0.348658} H818 1280 0.0 -1 1 {} H 0.0 {0.480681 0.127236 0.311219} H819 1281 0.0 -1 8 {} O 0.0 {0.423442 0.0983846 0.244098} O206 1282 0.0 -1 6 {} C 0.0 {0.454501 0.123274 0.214525} C206 1283 0.0 -1 1 {} H 0.0 {0.470635 0.150282 0.218014} H820 1284 0.0 -1 1 {} H 0.0 {0.479596 0.105315 0.215073} H821 1285 0.0 -1 1 {} H 0.0 {0.439836 0.12507 0.188338} H822 1286 0.0 -1 8 {} O 0.0 {0.365459 0.155811 0.283278} O207 1287 0.0 -1 6 {} C 0.0 {0.371475 0.107609 0.292604} C207 1288 0.0 -1 1 {} H 0.0 {0.3609 0.0901911 0.269992} H823 1289 0.0 -1 1 {} H 0.0 {0.394453 0.0946485 0.306192} H824 1290 0.0 -1 1 {} H 0.0 {0.354367 0.107129 0.317797} H825 1291 0.0 -1 8 {} O 0.0 {0.42549 0.190197 0.227458} O208 1292 0.0 -1 6 {} C 0.0 {0.461029 0.222819 0.22927} C208 1293 0.0 -1 1 {} H 0.0 {0.484827 0.208958 0.21635} H826 1294 0.0 -1 1 {} H 0.0 {0.452484 0.248382 0.213147} H827 1295 0.0 -1 1 {} H 0.0 {0.467305 0.232434 0.257601} H828 1296 0.0 -1 1 {} H 0.0 {0.433506 0.31239 0.273761} H829 1297 0.0 -1 1 {} H 0.0 {0.405197 0.20829 0.234714} H830 1298 0.0 -1 1 {} H 0.0 {0.426083 0.196176 0.324752} H831 1299 0.0 -1 1 {} H 0.0 {0.442472 0.0820417 0.256908} H832 1300 0.0 -1 14 {} Si 0.0 {0.40045 0.0349097 0.62841} Si53 1301 0.0 -1 8 {} O 0.0 {0.392244 0.999343 0.584516} O209 1302 0.0 -1 6 {} C 0.0 {0.357009 0.0337776 0.574032} C209 1303 0.0 -1 1 {} H 0.0 {0.356109 0.0626824 0.581845} H833 1304 0.0 -1 1 {} H 0.0 {0.357627 0.0372165 0.544584} H834 1305 0.0 -1 1 {} H 0.0 {0.332655 0.0224753 0.584859} H835 1306 0.0 -1 8 {} O 0.0 {0.410229 0.0872442 0.597983} O210 1307 0.0 -1 6 {} C 0.0 {0.388832 0.105892 0.638306} C210 1308 0.0 -1 1 {} H 0.0 {0.407331 0.127837 0.646421} H836 1309 0.0 -1 1 {} H 0.0 {0.360802 0.117271 0.630767} H837 1310 0.0 -1 1 {} H 0.0 {0.382596 0.0921763 0.664413} H838 1311 0.0 -1 8 {} O 0.0 {0.394483 0.999445 0.676292} O211 1312 0.0 -1 6 {} C 0.0 {0.355304 0.0303311 0.679733} C211 1313 0.0 -1 1 {} H 0.0 {0.338372 0.0509709 0.663679} H839 1314 0.0 -1 1 {} H 0.0 {0.332389 0.0097373 0.680367} H840 1315 0.0 -1 1 {} H 0.0 {0.360991 0.0444634 0.704858} H841 1316 0.0 -1 8 {} O 0.0 {0.45245 0.0106067 0.627012} O212 1317 0.0 -1 6 {} C 0.0 {0.490015 0.0351126 0.648311} C212 1318 0.0 -1 1 {} H 0.0 {0.512051 0.0394167 0.629033} H842 1319 0.0 -1 1 {} H 0.0 {0.482054 0.0622846 0.656264} H843 1320 0.0 -1 1 {} H 0.0 {0.500922 0.0208978 0.672146} H844 1321 0.0 -1 1 {} H 0.0 {0.493035 0.313445 0.433123} H845 1322 0.0 -1 1 {} H 0.0 {0.452554 0.989143 0.64328} H846 1323 0.0 -1 1 {} H 0.0 {0.412783 0.00494708 0.566836} H847 1324 0.0 -1 1 {} H 0.0 {0.436343 0.0901377 0.606157} H848 1325 0.0 -1 14 {} Si 0.0 {0.350158 0.142103 0.795449} Si54 1326 0.0 -1 8 {} O 0.0 {0.296701 0.115255 0.796146} O213 1327 0.0 -1 6 {} C 0.0 {0.305972 0.120129 0.844981} C213 1328 0.0 -1 1 {} H 0.0 {0.306221 0.0933561 0.856481} H849 1329 0.0 -1 1 {} H 0.0 {0.331858 0.130446 0.860414} H850 1330 0.0 -1 1 {} H 0.0 {0.285581 0.139693 0.857279} H851 1331 0.0 -1 8 {} O 0.0 {0.402796 0.166495 0.811267} O214 1332 0.0 -1 6 {} C 0.0 {0.403485 0.123363 0.835404} C214 1333 0.0 -1 1 {} H 0.0 {0.428788 0.109298 0.82823} H852 1334 0.0 -1 1 {} H 0.0 {0.398084 0.127139 0.865269} H853 1335 0.0 -1 1 {} H 0.0 {0.386035 0.100245 0.826443} H854 1336 0.0 -1 8 {} O 0.0 {0.372585 0.105968 0.754819} O215 1337 0.0 -1 6 {} C 0.0 {0.415698 0.0834846 0.746956} C215 1338 0.0 -1 1 {} H 0.0 {0.435732 0.103675 0.756551} H855 1339 0.0 -1 1 {} H 0.0 {0.420831 0.0582446 0.761096} H856 1340 0.0 -1 1 {} H 0.0 {0.416368 0.0771928 0.717103} H857 1341 0.0 -1 8 {} O 0.0 {0.34121 0.179044 0.752083} O216 1342 0.0 -1 6 {} C 0.0 {0.341438 0.211748 0.789303} C216 1343 0.0 -1 1 {} H 0.0 {0.334758 0.202551 0.81749} H858 1344 0.0 -1 1 {} H 0.0 {0.366932 0.228915 0.79143} H859 1345 0.0 -1 1 {} H 0.0 {0.314311 0.22727 0.784162} H860 1346 0.0 -1 1 {} H 0.0 {0.30827 0.318335 0.658059} H861 1347 0.0 -1 1 {} H 0.0 {0.313244 0.176501 0.750577} H862 1348 0.0 -1 1 {} H 0.0 {0.304368 0.0901005 0.792521} H863 1349 0.0 -1 1 {} H 0.0 {0.418191 0.158463 0.789013} H864 1350 0.0 -1 14 {} Si 0.0 {0.236558 0.115016 0.0985288} Si55 1351 0.0 -1 8 {} O 0.0 {0.281568 0.141584 0.067554} O217 1352 0.0 -1 6 {} C 0.0 {0.303801 0.134741 0.110824} C217 1353 0.0 -1 1 {} H 0.0 {0.327037 0.117204 0.102894} H865 1354 0.0 -1 1 {} H 0.0 {0.315182 0.163167 0.116312} H866 1355 0.0 -1 1 {} H 0.0 {0.294448 0.128342 0.138665} H867 1356 0.0 -1 8 {} O 0.0 {0.202699 0.127607 0.0506893} O218 1357 0.0 -1 6 {} C 0.0 {0.154619 0.126333 0.0442295} C218 1358 0.0 -1 1 {} H 0.0 {0.145411 0.139772 0.0688807} H868 1359 0.0 -1 1 {} H 0.0 {0.144368 0.138977 0.0184069} H869 1360 0.0 -1 1 {} H 0.0 {0.141892 0.0984323 0.0459319} H870 1361 0.0 -1 8 {} O 0.0 {0.232287 0.0608129 0.0842187} O219 1362 0.0 -1 6 {} C 0.0 {0.248714 0.0522434 0.131127} C219 1363 0.0 -1 1 {} H 0.0 {0.276521 0.0397107 0.125691} H871 1364 0.0 -1 1 {} H 0.0 {0.253856 0.0713304 0.154503} H872 1365 0.0 -1 1 {} H 0.0 {0.229003 0.0317604 0.139332} H873 1366 0.0 -1 8 {} O 0.0 {0.18979 0.112158 0.134187} O220 1367 0.0 -1 6 {} C 0.0 {0.218844 0.147762 0.154763} C220 1368 0.0 -1 1 {} H 0.0 {0.198225 0.169138 0.152431} H874 1369 0.0 -1 1 {} H 0.0 {0.222989 0.134544 0.180071} H875 1370 0.0 -1 1 {} H 0.0 {0.243501 0.164644 0.149817} H876 1371 0.0 -1 1 {} H 0.0 {0.27811 0.228577 0.131253} H877 1372 0.0 -1 1 {} H 0.0 {0.171871 0.129545 0.121454} H878 1373 0.0 -1 1 {} H 0.0 {0.277236 0.168422 0.0681131} H879 1374 0.0 -1 1 {} H 0.0 {0.211376 0.110215 0.0318035} H880 1375 0.0 -1 14 {} Si 0.0 {0.326269 0.24222 0.222092} Si56 1376 0.0 -1 8 {} O 0.0 {0.378764 0.264278 0.240013} O221 1377 0.0 -1 6 {} C 0.0 {0.36287 0.242358 0.281508} C221 1378 0.0 -1 1 {} H 0.0 {0.349358 0.216418 0.282888} H881 1379 0.0 -1 1 {} H 0.0 {0.389321 0.241479 0.294561} H882 1380 0.0 -1 1 {} H 0.0 {0.350708 0.260587 0.302975} H883 1381 0.0 -1 8 {} O 0.0 {0.335022 0.217985 0.167519} O222 1382 0.0 -1 6 {} C 0.0 {0.334024 0.178063 0.197263} C222 1383 0.0 -1 1 {} H 0.0 {0.313079 0.163487 0.181343} H884 1384 0.0 -1 1 {} H 0.0 {0.359665 0.164666 0.203947} H885 1385 0.0 -1 1 {} H 0.0 {0.323668 0.179171 0.225497} H886 1386 0.0 -1 8 {} O 0.0 {0.271959 0.218257 0.239361} O223 1387 0.0 -1 6 {} C 0.0 {0.271248 0.261234 0.262836} C223 1388 0.0 -1 1 {} H 0.0 {0.293209 0.280174 0.256212} H887 1389 0.0 -1 1 {} H 0.0 {0.244227 0.270678 0.254476} H888 1390 0.0 -1 1 {} H 0.0 {0.274179 0.259453 0.293318} H889 1391 0.0 -1 8 {} O 0.0 {0.298664 0.286791 0.192056} O224 1392 0.0 -1 6 {} C 0.0 {0.338826 0.308659 0.175565} C224 1393 0.0 -1 1 {} H 0.0 {0.364646 0.297191 0.177081} H890 1394 0.0 -1 1 {} H 0.0 {0.332861 0.310724 0.146079} H891 1395 0.0 -1 1 {} H 0.0 {0.340776 0.335799 0.189108} H892 1396 0.0 -1 1 {} H 0.0 {0.338716 0.500735 0.212684} H893 1397 0.0 -1 1 {} H 0.0 {0.292068 0.272728 0.168244} H894 1398 0.0 -1 1 {} H 0.0 {0.372889 0.290374 0.24364} H895 1399 0.0 -1 1 {} H 0.0 {0.311071 0.215928 0.156022} H896 1400 0.0 -1 14 {} Si 0.0 {0.445825 0.380094 0.275824} Si57 1401 0.0 -1 8 {} O 0.0 {0.428991 0.398552 0.329299} O225 1402 0.0 -1 6 {} C 0.0 {0.468027 0.428099 0.323819} C225 1403 0.0 -1 1 {} H 0.0 {0.495 0.415703 0.316105} H897 1404 0.0 -1 1 {} H 0.0 {0.463669 0.454217 0.311328} H898 1405 0.0 -1 1 {} H 0.0 {0.475948 0.431719 0.353274} H899 1406 0.0 -1 8 {} O 0.0 {0.483606 0.351972 0.240703} O226 1407 0.0 -1 6 {} C 0.0 {0.502871 0.397817 0.243665} C226 1408 0.0 -1 1 {} H 0.0 {0.490219 0.421317 0.256971} H900 1409 0.0 -1 1 {} H 0.0 {0.52676 0.39137 0.261251} H901 1410 0.0 -1 1 {} H 0.0 {0.507908 0.405901 0.214938} H902 1411 0.0 -1 8 {} O 0.0 {0.439568 0.325293 0.297072} O227 1412 0.0 -1 6 {} C 0.0 {0.3938 0.321409 0.314319} C227 1413 0.0 -1 1 {} H 0.0 {0.390246 0.292727 0.32155} H903 1414 0.0 -1 1 {} H 0.0 {0.389266 0.335663 0.341602} H904 1415 0.0 -1 1 {} H 0.0 {0.372681 0.331486 0.294119} H905 1416 0.0 -1 8 {} O 0.0 {0.391418 0.379339 0.250512} O228 1417 0.0 -1 6 {} C 0.0 {0.400857 0.428493 0.251797} C228 1418 0.0 -1 1 {} H 0.0 {0.423637 0.449048 0.255854} H906 1419 0.0 -1 1 {} H 0.0 {0.393554 0.433989 0.221337} H907 1420 0.0 -1 1 {} H 0.0 {0.37754 0.441178 0.266474} H908 1421 0.0 -1 1 {} H 0.0 {0.443373 0.543366 0.273002} H909 1422 0.0 -1 1 {} H 0.0 {0.399196 0.373054 0.222095} H910 1423 0.0 -1 1 {} H 0.0 {0.441738 0.376997 0.342187} H911 1424 0.0 -1 1 {} H 0.0 {0.499588 0.34046 0.261496} H912 1425 0.0 -1 14 {} Si 0.0 {0.460355 0.377715 0.451178} Si58 1426 0.0 -1 8 {} O 0.0 {0.491536 0.37407 0.501409} O229 1427 0.0 -1 6 {} C 0.0 {0.53233 0.383089 0.474464} C229 1428 0.0 -1 1 {} H 0.0 {0.552323 0.365281 0.489542} H913 1429 0.0 -1 1 {} H 0.0 {0.533638 0.380087 0.445973} H914 1430 0.0 -1 1 {} H 0.0 {0.541948 0.411811 0.476784} H915 1431 0.0 -1 8 {} O 0.0 {0.479086 0.43531 0.443973} O230 1432 0.0 -1 6 {} C 0.0 {0.434 0.442193 0.426284} C230 1433 0.0 -1 1 {} H 0.0 {0.40852 0.427576 0.436225} H916 1434 0.0 -1 1 {} H 0.0 {0.432751 0.472067 0.429534} H917 1435 0.0 -1 1 {} H 0.0 {0.434732 0.439378 0.396357} H918 1436 0.0 -1 8 {} O 0.0 {0.491204 0.337071 0.417755} O231 1437 0.0 -1 6 {} C 0.0 {0.449151 0.334496 0.393093} C231 1438 0.0 -1 1 {} H 0.0 {0.425808 0.350974 0.397064} H919 1439 0.0 -1 1 {} H 0.0 {0.459817 0.339551 0.365793} H920 1440 0.0 -1 1 {} H 0.0 {0.43726 0.306522 0.395832} H921 1441 0.0 -1 8 {} O 0.0 {0.420304 0.33765 0.469205} O232 1442 0.0 -1 6 {} C 0.0 {0.417858 0.369837 0.507161} C232 1443 0.0 -1 1 {} H 0.0 {0.43057 0.352589 0.528821} H922 1444 0.0 -1 1 {} H 0.0 {0.428592 0.398342 0.509041} H923 1445 0.0 -1 1 {} H 0.0 {0.387662 0.374275 0.507568} H924 1446 0.0 -1 1 {} H 0.0 {0.387584 0.568379 0.340725} H925 1447 0.0 -1 1 {} H 0.0 {0.436139 0.31819 0.479787} H926 1448 0.0 -1 1 {} H 0.0 {0.492971 0.346908 0.500045} H927 1449 0.0 -1 1 {} H 0.0 {0.475675 0.447111 0.468789} H928 1450 0.0 -1 14 {} Si 0.0 {0.370704 0.290429 0.678729} Si59 1451 0.0 -1 8 {} O 0.0 {0.416161 0.309572 0.71261} O233 1452 0.0 -1 6 {} C 0.0 {0.392362 0.352807 0.709775} C233 1453 0.0 -1 1 {} H 0.0 {0.368848 0.355411 0.692324} H929 1454 0.0 -1 1 {} H 0.0 {0.37932 0.359162 0.735591} H930 1455 0.0 -1 1 {} H 0.0 {0.41288 0.371622 0.699217} H931 1456 0.0 -1 8 {} O 0.0 {0.399317 0.239193 0.659829} O234 1457 0.0 -1 6 {} C 0.0 {0.395612 0.227326 0.707608} C234 1458 0.0 -1 1 {} H 0.0 {0.422186 0.230035 0.720825} H932 1459 0.0 -1 1 {} H 0.0 {0.377113 0.241922 0.727581} H933 1460 0.0 -1 1 {} H 0.0 {0.381379 0.199034 0.707161} H934 1461 0.0 -1 8 {} O 0.0 {0.311479 0.291414 0.660706} O235 1462 0.0 -1 6 {} C 0.0 {0.31 0.285904 0.709859} C235 1463 0.0 -1 1 {} H 0.0 {0.331098 0.295168 0.729755} H935 1464 0.0 -1 1 {} H 0.0 {0.289557 0.30603 0.717301} H936 1465 0.0 -1 1 {} H 0.0 {0.301228 0.257464 0.713445} H937 1466 0.0 -1 8 {} O 0.0 {0.397807 0.322951 0.633989} O236 1467 0.0 -1 6 {} C 0.0 {0.364703 0.298553 0.607397} C236 1468 0.0 -1 1 {} H 0.0 {0.382418 0.287833 0.585938} H938 1469 0.0 -1 1 {} H 0.0 {0.355945 0.270354 0.616534} H939 1470 0.0 -1 1 {} H 0.0 {0.338061 0.311178 0.597236} H940 1471 0.0 -1 1 {} H 0.0 {0.364973 0.520506 0.814875} H941 1472 0.0 -1 1 {} H 0.0 {0.418652 0.306387 0.631156} H942 1473 0.0 -1 1 {} H 0.0 {0.435914 0.314433 0.693097} H943 1474 0.0 -1 1 {} H 0.0 {0.37789 0.225969 0.648383} H944 1475 0.0 -1 14 {} Si 0.0 {0.24224 0.260449 0.0835} Si60 1476 0.0 -1 8 {} O 0.0 {0.215701 0.308183 0.0573716} O237 1477 0.0 -1 6 {} C 0.0 {0.245093 0.327348 0.0922745} C237 1478 0.0 -1 1 {} H 0.0 {0.258574 0.312654 0.115871} H945 1479 0.0 -1 1 {} H 0.0 {0.264185 0.342368 0.0763463} H946 1480 0.0 -1 1 {} H 0.0 {0.2269 0.345817 0.106374} H947 1481 0.0 -1 8 {} O 0.0 {0.294637 0.280852 0.066917} O238 1482 0.0 -1 6 {} C 0.0 {0.337958 0.258633 0.0716329} C238 1483 0.0 -1 1 {} H 0.0 {0.337865 0.231908 0.0584362} H948 1484 0.0 -1 1 {} H 0.0 {0.357933 0.274662 0.0557083} H949 1485 0.0 -1 1 {} H 0.0 {0.346699 0.254699 0.0996057} H950 1486 0.0 -1 8 {} O 0.0 {0.253045 0.215403 0.12205} O239 1487 0.0 -1 6 {} C 0.0 {0.221237 0.244763 0.146451} C239 1488 0.0 -1 1 {} H 0.0 {0.236221 0.248099 0.173496} H951 1489 0.0 -1 1 {} H 0.0 {0.213343 0.273696 0.142418} H952 1490 0.0 -1 1 {} H 0.0 {0.196973 0.228445 0.144904} H953 1491 0.0 -1 8 {} O 0.0 {0.244369 0.225379 0.0359671} O240 1492 0.0 -1 6 {} C 0.0 {0.196006 0.237241 0.0361284} C240 1493 0.0 -1 1 {} H 0.0 {0.183835 0.249398 0.0615243} H954 1494 0.0 -1 1 {} H 0.0 {0.189887 0.255698 0.0130587} H955 1495 0.0 -1 1 {} H 0.0 {0.185316 0.208329 0.0338867} H956 1496 0.0 -1 1 {} H 0.0 {0.344919 0.374308 0.810508} H957 1497 0.0 -1 1 {} H 0.0 {0.245043 0.202259 0.0519555} H958 1498 0.0 -1 1 {} H 0.0 {0.191847 0.311481 0.0704659} H959 1499 0.0 -1 1 {} H 0.0 {0.294184 0.283451 0.0391663} H960 1500 0.0 -1 14 {} Si 0.0 {0.286131 0.561299 0.16515} Si61 1501 0.0 -1 8 {} O 0.0 {0.312297 0.554446 0.219269} O241 1502 0.0 -1 6 {} C 0.0 {0.271471 0.526287 0.221961} C241 1503 0.0 -1 1 {} H 0.0 {0.270624 0.524919 0.25387} H961 1504 0.0 -1 1 {} H 0.0 {0.247526 0.542389 0.217183} H962 1505 0.0 -1 1 {} H 0.0 {0.269316 0.499169 0.21011} H963 1506 0.0 -1 8 {} O 0.0 {0.239619 0.524511 0.151977} O242 1507 0.0 -1 6 {} C 0.0 {0.272179 0.501056 0.125627} C242 1508 0.0 -1 1 {} H 0.0 {0.298658 0.513543 0.119702} H964 1509 0.0 -1 1 {} H 0.0 {0.277392 0.475564 0.14112} H965 1510 0.0 -1 1 {} H 0.0 {0.262681 0.498977 0.0981094} H966 1511 0.0 -1 8 {} O 0.0 {0.272006 0.60251 0.161317} O243 1512 0.0 -1 6 {} C 0.0 {0.22371 0.60229 0.155481} C243 1513 0.0 -1 1 {} H 0.0 {0.206872 0.582314 0.16977} H967 1514 0.0 -1 1 {} H 0.0 {0.216501 0.630232 0.165282} H968 1515 0.0 -1 1 {} H 0.0 {0.216783 0.600683 0.12718} H969 1516 0.0 -1 8 {} O 0.0 {0.335076 0.568631 0.13049} O244 1517 0.0 -1 6 {} C 0.0 {0.338433 0.547257 0.0879959} C244 1518 0.0 -1 1 {} H 0.0 {0.337523 0.571515 0.0678552} H970 1519 0.0 -1 1 {} H 0.0 {0.364115 0.533309 0.0858799} H971 1520 0.0 -1 1 {} H 0.0 {0.316623 0.526353 0.0817602} H972 1521 0.0 -1 1 {} H 0.0 {0.294625 0.750602 0.170261} H973 1522 0.0 -1 1 {} H 0.0 {0.327414 0.595904 0.122258} H974 1523 0.0 -1 1 {} H 0.0 {0.302338 0.577964 0.232801} H975 1524 0.0 -1 1 {} H 0.0 {0.226428 0.536684 0.128617} H976 1525 0.0 -1 14 {} Si 0.0 {0.419221 0.516835 0.211674} Si62 1526 0.0 -1 8 {} O 0.0 {0.352231 0.474799 0.210821} O245 1527 0.0 -1 6 {} C 0.0 {0.373875 0.484103 0.166728} C245 1528 0.0 -1 1 {} H 0.0 {0.352134 0.500346 0.152215} H977 1529 0.0 -1 1 {} H 0.0 {0.396436 0.500895 0.158849} H978 1530 0.0 -1 1 {} H 0.0 {0.380327 0.456551 0.154603} H979 1531 0.0 -1 8 {} O 0.0 {0.444303 0.563827 0.183583} O246 1532 0.0 -1 6 {} C 0.0 {0.396301 0.575407 0.184661} C246 1533 0.0 -1 1 {} H 0.0 {0.375893 0.553947 0.191022} H980 1534 0.0 -1 1 {} H 0.0 {0.389176 0.599484 0.203292} H981 1535 0.0 -1 1 {} H 0.0 {0.394571 0.58109 0.153395} H982 1536 0.0 -1 8 {} O 0.0 {0.439186 0.516233 0.267347} O247 1537 0.0 -1 6 {} C 0.0 {0.389088 0.519932 0.270198} C247 1538 0.0 -1 1 {} H 0.0 {0.379149 0.494245 0.281805} H983 1539 0.0 -1 1 {} H 0.0 {0.386228 0.540886 0.293217} H984 1540 0.0 -1 1 {} H 0.0 {0.3678 0.525972 0.250896} H985 1541 0.0 -1 8 {} O 0.0 {0.450707 0.472319 0.188225} O248 1542 0.0 -1 6 {} C 0.0 {0.488391 0.497876 0.207317} C248 1543 0.0 -1 1 {} H 0.0 {0.486776 0.52207 0.224199} H986 1544 0.0 -1 1 {} H 0.0 {0.498802 0.473366 0.225378} H987 1545 0.0 -1 1 {} H 0.0 {0.504469 0.503089 0.182412} H988 1546 0.0 -1 1 {} H 0.0 {0.451251 0.649824 0.247621} H989 1547 0.0 -1 1 {} H 0.0 {0.451713 0.480181 0.162056} H990 1548 0.0 -1 1 {} H 0.0 {0.328222 0.458219 0.199523} H991 1549 0.0 -1 1 {} H 0.0 {0.444702 0.557473 0.158681} H992 1550 0.0 -1 14 {} Si 0.0 {0.451181 0.592089 0.360759} Si63 1551 0.0 -1 8 {} O 0.0 {0.502074 0.61579 0.386211} O249 1552 0.0 -1 6 {} C 0.0 {0.469191 0.632857 0.417294} C249 1553 0.0 -1 1 {} H 0.0 {0.465921 0.660925 0.41243} H993 1554 0.0 -1 1 {} H 0.0 {0.441475 0.624111 0.41249} H994 1555 0.0 -1 1 {} H 0.0 {0.47371 0.624354 0.446891} H995 1556 0.0 -1 8 {} O 0.0 {0.466147 0.536227 0.34939} O250 1557 0.0 -1 6 {} C 0.0 {0.434944 0.531293 0.388179} C250 1558 0.0 -1 1 {} H 0.0 {0.450268 0.517275 0.408043} H996 1559 0.0 -1 1 {} H 0.0 {0.423465 0.552328 0.408107} H997 1560 0.0 -1 1 {} H 0.0 {0.410734 0.514911 0.383411} H998 1561 0.0 -1 8 {} O 0.0 {0.390201 0.583807 0.362796} O251 1562 0.0 -1 6 {} C 0.0 {0.390065 0.628546 0.344118} C251 1563 0.0 -1 1 {} H 0.0 {0.41599 0.644377 0.338911} H999 1564 0.0 -1 1 {} H 0.0 {0.379264 0.625493 0.314558} H1000 1565 0.0 -1 1 {} H 0.0 {0.373039 0.645197 0.362452} H1001 1566 0.0 -1 8 {} O 0.0 {0.451941 0.603931 0.299385} O252 1567 0.0 -1 6 {} C 0.0 {0.499332 0.597543 0.306273} C252 1568 0.0 -1 1 {} H 0.0 {0.5118 0.588534 0.330949} H1002 1569 0.0 -1 1 {} H 0.0 {0.507731 0.576609 0.286166} H1003 1570 0.0 -1 1 {} H 0.0 {0.509447 0.626485 0.301267} H1004 1571 0.0 -1 1 {} H 0.0 {0.417526 0.66825 0.522276} H1005 1572 0.0 -1 1 {} H 0.0 {0.446602 0.580132 0.286657} H1006 1573 0.0 -1 1 {} H 0.0 {0.509155 0.59351 0.400444} H1007 1574 0.0 -1 1 {} H 0.0 {0.450388 0.527848 0.330013} H1008 1575 0.0 -1 14 {} Si 0.0 {0.385793 0.485107 0.7577} Si64 1576 0.0 -1 8 {} O 0.0 {0.444944 0.473894 0.752711} O253 1577 0.0 -1 6 {} C 0.0 {0.432938 0.472367 0.704741} C253 1578 0.0 -1 1 {} H 0.0 {0.404001 0.474869 0.693927} H1009 1579 0.0 -1 1 {} H 0.0 {0.446619 0.495623 0.692884} H1010 1580 0.0 -1 1 {} H 0.0 {0.443876 0.446824 0.69212} H1011 1581 0.0 -1 8 {} O 0.0 {0.325923 0.469143 0.746739} O254 1582 0.0 -1 6 {} C 0.0 {0.346871 0.425454 0.752416} C254 1583 0.0 -1 1 {} H 0.0 {0.348124 0.410096 0.725925} H1012 1584 0.0 -1 1 {} H 0.0 {0.375983 0.42375 0.760781} H1013 1585 0.0 -1 1 {} H 0.0 {0.333662 0.411615 0.776881} H1014 1586 0.0 -1 8 {} O 0.0 {0.391553 0.519595 0.805031} O255 1587 0.0 -1 6 {} C 0.0 {0.405892 0.478986 0.82694} C255 1588 0.0 -1 1 {} H 0.0 {0.399177 0.45343 0.813253} H1015 1589 0.0 -1 1 {} H 0.0 {0.433959 0.481306 0.833466} H1016 1590 0.0 -1 1 {} H 0.0 {0.386483 0.476304 0.851689} H1017 1591 0.0 -1 8 {} O 0.0 {0.387277 0.530824 0.716401} O256 1592 0.0 -1 6 {} C 0.0 {0.345852 0.542488 0.739726} C256 1593 0.0 -1 1 {} H 0.0 {0.339121 0.526979 0.76597} H1018 1594 0.0 -1 1 {} H 0.0 {0.350279 0.572398 0.74545} H1019 1595 0.0 -1 1 {} H 0.0 {0.32375 0.538553 0.721198} H1020 1596 0.0 -1 1 {} H 0.0 {0.155283 0.670382 0.871421} H1021 1597 0.0 -1 1 {} H 0.0 {0.402955 0.549894 0.727451} H1022 1598 0.0 -1 1 {} H 0.0 {0.455316 0.499308 0.755022} H1023 1599 0.0 -1 1 {} H 0.0 {0.31454 0.471586 0.771402} H1024 1600 0.0 -1 14 {} Si 0.0 {0.40156 0.334552 0.825679} Si65 1601 0.0 -1 8 {} O 0.0 {0.425977 0.366554 0.866859} O257 1602 0.0 -1 6 {} C 0.0 {0.412071 0.32934 0.895137} C257 1603 0.0 -1 1 {} H 0.0 {0.438733 0.324737 0.90833} H1025 1604 0.0 -1 1 {} H 0.0 {0.38586 0.338322 0.908672} H1026 1605 0.0 -1 1 {} H 0.0 {0.407385 0.302279 0.881679} H1027 1606 0.0 -1 8 {} O 0.0 {0.444624 0.309281 0.796758} O258 1607 0.0 -1 6 {} C 0.0 {0.421211 0.267179 0.810854} C258 1608 0.0 -1 1 {} H 0.0 {0.420716 0.25452 0.783726} H1028 1609 0.0 -1 1 {} H 0.0 {0.438179 0.251878 0.829753} H1029 1610 0.0 -1 1 {} H 0.0 {0.393298 0.265011 0.820004} H1030 1611 0.0 -1 8 {} O 0.0 {0.351914 0.350189 0.796897} O259 1612 0.0 -1 6 {} C 0.0 {0.333316 0.315984 0.826075} C259 1613 0.0 -1 1 {} H 0.0 {0.303987 0.322032 0.822041} H1031 1614 0.0 -1 1 {} H 0.0 {0.338234 0.287695 0.817846} H1032 1615 0.0 -1 1 {} H 0.0 {0.3373 0.319967 0.855135} H1033 1616 0.0 -1 8 {} O 0.0 {0.417467 0.378418 0.790451} O260 1617 0.0 -1 6 {} C 0.0 {0.459754 0.38934 0.767529} C260 1618 0.0 -1 1 {} H 0.0 {0.479168 0.396403 0.79228} H1034 1619 0.0 -1 1 {} H 0.0 {0.472294 0.366616 0.753124} H1035 1620 0.0 -1 1 {} H 0.0 {0.457462 0.413949 0.749865} H1036 1621 0.0 -1 1 {} H 0.0 {0.59159 0.379866 0.895002} H1037 1622 0.0 -1 1 {} H 0.0 {0.411953 0.400105 0.804505} H1038 1623 0.0 -1 1 {} H 0.0 {0.45241 0.3594 0.862961} H1039 1624 0.0 -1 1 {} H 0.0 {0.434218 0.311481 0.771643} H1040 1625 0.0 -1 14 {} Si 0.0 {0.308126 0.699921 0.125121} Si66 1626 0.0 -1 8 {} O 0.0 {0.276857 0.675319 0.150969} O261 1627 0.0 -1 6 {} C 0.0 {0.24521 0.671194 0.108929} C261 1628 0.0 -1 1 {} H 0.0 {0.247199 0.68823 0.0850938} H1041 1629 0.0 -1 1 {} H 0.0 {0.245583 0.641386 0.0995244} H1042 1630 0.0 -1 1 {} H 0.0 {0.220416 0.67815 0.123168} H1043 1631 0.0 -1 8 {} O 0.0 {0.358402 0.668498 0.120276} O262 1632 0.0 -1 6 {} C 0.0 {0.343992 0.674064 0.072275} C262 1633 0.0 -1 1 {} H 0.0 {0.371932 0.673891 0.0635134} H1044 1634 0.0 -1 1 {} H 0.0 {0.3268 0.65077 0.064501} H1045 1635 0.0 -1 1 {} H 0.0 {0.333069 0.700743 0.062744} H1046 1636 0.0 -1 8 {} O 0.0 {0.318851 0.745027 0.158321} O263 1637 0.0 -1 6 {} C 0.0 {0.309466 0.763936 0.112594} C263 1638 0.0 -1 1 {} H 0.0 {0.2911 0.786483 0.122102} H1047 1639 0.0 -1 1 {} H 0.0 {0.336721 0.77357 0.101204} H1048 1640 0.0 -1 1 {} H 0.0 {0.290229 0.759978 0.0905532} H1049 1641 0.0 -1 8 {} O 0.0 {0.614141 0.360967 0.885756} O264 1642 0.0 -1 6 {} C 0.0 {0.606087 0.324724 0.915311} C264 1643 0.0 -1 1 {} H 0.0 {0.624166 0.301385 0.908585} H1050 1644 0.0 -1 1 {} H 0.0 {0.609133 0.330034 0.944237} H1051 1645 0.0 -1 1 {} H 0.0 {0.577751 0.314912 0.910873} H1052 1646 0.0 -1 1 {} H 0.0 {0.986533 0.186792 0.778977} H1053 1647 0.0 -1 1 {} H 0.0 {0.636793 0.372467 0.900868} H1054 1648 0.0 -1 1 {} H 0.0 {0.281171 0.645983 0.154005} H1055 1649 0.0 -1 1 {} H 0.0 {0.378496 0.686947 0.120971} H1056 1650 0.0 -1 14 {} Si 0.0 {0.482389 0.709189 0.267752} Si67 1651 0.0 -1 8 {} O 0.0 {0.450212 0.69341 0.314856} O265 1652 0.0 -1 6 {} C 0.0 {0.497049 0.689836 0.333108} C265 1653 0.0 -1 1 {} H 0.0 {0.496023 0.712194 0.354867} H1057 1654 0.0 -1 1 {} H 0.0 {0.494862 0.660857 0.34258} H1058 1655 0.0 -1 1 {} H 0.0 {0.524069 0.691502 0.321582} H1059 1656 0.0 -1 8 {} O 0.0 {0.517297 0.733234 0.226927} O266 1657 0.0 -1 6 {} C 0.0 {0.520321 0.769205 0.262245} C266 1658 0.0 -1 1 {} H 0.0 {0.54893 0.766973 0.27422} H1060 1659 0.0 -1 1 {} H 0.0 {0.513275 0.793525 0.246127} H1061 1660 0.0 -1 1 {} H 0.0 {0.499842 0.769741 0.284463} H1062 1661 0.0 -1 8 {} O 0.0 {0.460491 0.669283 0.230885} O267 1662 0.0 -1 6 {} C 0.0 {0.508621 0.656507 0.231725} C267 1663 0.0 -1 1 {} H 0.0 {0.523285 0.667863 0.207119} H1063 1664 0.0 -1 1 {} H 0.0 {0.522443 0.65845 0.258807} H1064 1665 0.0 -1 1 {} H 0.0 {0.501428 0.62721 0.232278} H1065 1666 0.0 -1 8 {} O 0.0 {0.437824 0.743355 0.247596} O268 1667 0.0 -1 6 {} C 0.0 {0.438869 0.780767 0.215652} C268 1668 0.0 -1 1 {} H 0.0 {0.465454 0.778161 0.202017} H1066 1669 0.0 -1 1 {} H 0.0 {0.415859 0.782387 0.198998} H1067 1670 0.0 -1 1 {} H 0.0 {0.44047 0.806202 0.233064} H1068 1671 0.0 -1 1 {} H 0.0 {0.329562 0.0544804 0.160961} H1069 1672 0.0 -1 1 {} H 0.0 {0.422684 0.72413 0.234405} H1070 1673 0.0 -1 1 {} H 0.0 {0.447209 0.665907 0.312727} H1071 1674 0.0 -1 1 {} H 0.0 {0.498569 0.744525 0.211098} H1072 1675 0.0 -1 14 {} Si 0.0 {0.374565 0.713231 0.492242} Si68 1676 0.0 -1 8 {} O 0.0 {0.326036 0.750185 0.499283} O269 1677 0.0 -1 6 {} C 0.0 {0.337878 0.737701 0.544532} C269 1678 0.0 -1 1 {} H 0.0 {0.354895 0.714439 0.554339} H1073 1679 0.0 -1 1 {} H 0.0 {0.348859 0.760968 0.558959} H1074 1680 0.0 -1 1 {} H 0.0 {0.312146 0.729187 0.556767} H1075 1681 0.0 -1 8 {} O 0.0 {0.37926 0.728893 0.436064} O270 1682 0.0 -1 6 {} C 0.0 {0.381583 0.774187 0.458605} C270 1683 0.0 -1 1 {} H 0.0 {0.357277 0.788302 0.450542} H1076 1684 0.0 -1 1 {} H 0.0 {0.385124 0.784253 0.486468} H1077 1685 0.0 -1 1 {} H 0.0 {0.409074 0.780106 0.445838} H1078 1686 0.0 -1 8 {} O 0.0 {0.423671 0.684103 0.498305} O271 1687 0.0 -1 6 {} C 0.0 {0.433705 0.725382 0.523475} C271 1688 0.0 -1 1 {} H 0.0 {0.444678 0.713649 0.550369} H1079 1689 0.0 -1 1 {} H 0.0 {0.455912 0.73904 0.506085} H1080 1690 0.0 -1 1 {} H 0.0 {0.412435 0.744421 0.533403} H1081 1691 0.0 -1 8 {} O 0.0 {0.349349 0.661731 0.47154} O272 1692 0.0 -1 6 {} C 0.0 {0.354079 0.652839 0.423502} C272 1693 0.0 -1 1 {} H 0.0 {0.346285 0.676625 0.406239} H1082 1694 0.0 -1 1 {} H 0.0 {0.381466 0.646897 0.417594} H1083 1695 0.0 -1 1 {} H 0.0 {0.336305 0.627187 0.419825} H1084 1696 0.0 -1 1 {} H 0.0 {0.463403 0.969736 0.336213} H1085 1697 0.0 -1 1 {} H 0.0 {0.366539 0.642219 0.481052} H1086 1698 0.0 -1 1 {} H 0.0 {0.304979 0.73342 0.493625} H1087 1699 0.0 -1 1 {} H 0.0 {0.353275 0.729104 0.428972} H1088 1700 0.0 -1 14 {} Si 0.0 {0.211601 0.647163 0.846258} Si69 1701 0.0 -1 8 {} O 0.0 {0.234399 0.593889 0.860957} O273 1702 0.0 -1 6 {} C 0.0 {0.276707 0.617105 0.851208} C273 1703 0.0 -1 1 {} H 0.0 {0.282244 0.61259 0.821588} H1089 1704 0.0 -1 1 {} H 0.0 {0.285717 0.644644 0.861621} H1090 1705 0.0 -1 1 {} H 0.0 {0.294711 0.599472 0.868045} H1091 1706 0.0 -1 8 {} O 0.0 {0.174027 0.61504 0.816788} O274 1707 0.0 -1 6 {} C 0.0 {0.156302 0.569467 0.828399} C274 1708 0.0 -1 1 {} H 0.0 {0.18114 0.553386 0.833681} H1092 1709 0.0 -1 1 {} H 0.0 {0.137268 0.571341 0.852499} H1093 1710 0.0 -1 1 {} H 0.0 {0.138515 0.562164 0.804761} H1094 1711 0.0 -1 8 {} O 0.0 {0.169651 0.654339 0.887304} O275 1712 0.0 -1 6 {} C 0.0 {0.203462 0.686823 0.90194} C275 1713 0.0 -1 1 {} H 0.0 {0.22606 0.700546 0.883451} H1095 1714 0.0 -1 1 {} H 0.0 {0.188482 0.713132 0.90615} H1096 1715 0.0 -1 1 {} H 0.0 {0.218276 0.676982 0.926883} H1097 1716 0.0 -1 8 {} O 0.0 {0.248565 0.668681 0.804783} O276 1717 0.0 -1 6 {} C 0.0 {0.205252 0.678481 0.783637} C276 1718 0.0 -1 1 {} H 0.0 {0.177449 0.675257 0.793765} H1098 1719 0.0 -1 1 {} H 0.0 {0.208939 0.709555 0.776734} H1099 1720 0.0 -1 1 {} H 0.0 {0.204018 0.661447 0.757778} H1100 1721 0.0 -1 1 {} H 0.0 {0.0724688 0.973877 0.162061} H1101 1722 0.0 -1 1 {} H 0.0 {0.257797 0.692486 0.813252} H1102 1723 0.0 -1 1 {} H 0.0 {0.235605 0.594364 0.888659} H1103 1724 0.0 -1 1 {} H 0.0 {0.187204 0.60634 0.792044} H1104 1725 0.0 -1 14 {} Si 0.0 {0.524542 0.405297 0.89326} Si70 1726 0.0 -1 8 {} O 0.0 {0.512577 0.349261 0.885858} O277 1727 0.0 -1 6 {} C 0.0 {0.526376 0.35717 0.839185} C277 1728 0.0 -1 1 {} H 0.0 {0.499928 0.350379 0.825338} H1105 1729 0.0 -1 1 {} H 0.0 {0.535911 0.381322 0.823383} H1106 1730 0.0 -1 1 {} H 0.0 {0.550737 0.338164 0.83615} H1107 1731 0.0 -1 8 {} O 0.0 {0.476431 0.416258 0.92715} O278 1732 0.0 -1 6 {} C 0.0 {0.466174 0.441801 0.885888} C278 1733 0.0 -1 1 {} H 0.0 {0.463066 0.429974 0.856749} H1108 1734 0.0 -1 1 {} H 0.0 {0.435116 0.445034 0.892357} H1109 1735 0.0 -1 1 {} H 0.0 {0.478595 0.46701 0.883474} H1110 1736 0.0 -1 8 {} O 0.0 {0.563814 0.409614 0.91383} O279 1737 0.0 -1 6 {} C 0.0 {0.570144 0.398972 0.960291} C279 1738 0.0 -1 1 {} H 0.0 {0.598576 0.406561 0.961467} H1111 1739 0.0 -1 1 {} H 0.0 {0.55571 0.415638 0.980686} H1112 1740 0.0 -1 1 {} H 0.0 {0.569228 0.36996 0.969204} H1113 1741 0.0 -1 8 {} O 0.0 {0.532511 0.441673 0.846274} O280 1742 0.0 -1 6 {} C 0.0 {0.529733 0.441151 0.79632} C280 1743 0.0 -1 1 {} H 0.0 {0.54119 0.418087 0.782017} H1114 1744 0.0 -1 1 {} H 0.0 {0.499743 0.443005 0.789943} H1115 1745 0.0 -1 1 {} H 0.0 {0.545932 0.464783 0.786366} H1116 1746 0.0 -1 1 {} H 0.0 {0.567867 0.135747 0.145504} H1117 1747 0.0 -1 1 {} H 0.0 {0.556669 0.456217 0.850284} H1118 1748 0.0 -1 1 {} H 0.0 {0.536359 0.338887 0.894093} H1119 1749 0.0 -1 1 {} H 0.0 {0.458275 0.396484 0.923261} H1120 1750 0.0 -1 14 {} Si 0.0 {0.463016 0.805681 0.402084} Si71 1751 0.0 -1 8 {} O 0.0 {0.49134 0.84139 0.364694} O281 1752 0.0 -1 6 {} C 0.0 {0.531593 0.820895 0.384314} C281 1753 0.0 -1 1 {} H 0.0 {0.534686 0.810924 0.412737} H1121 1754 0.0 -1 1 {} H 0.0 {0.541877 0.800027 0.366416} H1122 1755 0.0 -1 1 {} H 0.0 {0.550947 0.844806 0.386948} H1123 1756 0.0 -1 8 {} O 0.0 {0.486103 0.77512 0.449095} O282 1757 0.0 -1 6 {} C 0.0 {0.468316 0.741021 0.419605} C282 1758 0.0 -1 1 {} H 0.0 {0.461116 0.737843 0.390215} H1124 1759 0.0 -1 1 {} H 0.0 {0.49537 0.72466 0.415305} H1125 1760 0.0 -1 1 {} H 0.0 {0.449136 0.725836 0.437071} H1126 1761 0.0 -1 8 {} O 0.0 {0.435501 0.833289 0.42114} O283 1762 0.0 -1 6 {} C 0.0 {0.447002 0.854043 0.462838} C283 1763 0.0 -1 1 {} H 0.0 {0.422318 0.870754 0.46652} H1127 1764 0.0 -1 1 {} H 0.0 {0.447087 0.833469 0.483098} H1128 1765 0.0 -1 1 {} H 0.0 {0.470038 0.874326 0.46418} H1129 1766 0.0 -1 8 {} O 0.0 {0.421472 0.779713 0.365676} O284 1767 0.0 -1 6 {} C 0.0 {0.398144 0.767833 0.323783} C284 1768 0.0 -1 1 {} H 0.0 {0.367545 0.770553 0.324312} H1130 1769 0.0 -1 1 {} H 0.0 {0.410241 0.788071 0.303814} H1131 1770 0.0 -1 1 {} H 0.0 {0.405815 0.738498 0.316241} H1132 1771 0.0 -1 1 {} H 0.0 {0.442231 0.174187 0.150175} H1133 1772 0.0 -1 1 {} H 0.0 {0.407389 0.762982 0.384099} H1134 1773 0.0 -1 1 {} H 0.0 {0.49241 0.86564 0.377245} H1135 1774 0.0 -1 1 {} H 0.0 {0.464636 0.774996 0.467323} H1136 1775 0.0 -1 14 {} Si 0.0 {0.301037 0.0633776 0.221505} Si72 1776 0.0 -1 8 {} O 0.0 {0.288743 0.0105973 0.208176} O285 1777 0.0 -1 6 {} C 0.0 {0.31521 0.0124172 0.251593} C285 1778 0.0 -1 1 {} H 0.0 {0.296654 0.00514438 0.274508} H1137 1779 0.0 -1 1 {} H 0.0 {0.335628 0.989642 0.242124} H1138 1780 0.0 -1 1 {} H 0.0 {0.336245 0.0304743 0.263814} H1139 1781 0.0 -1 8 {} O 0.0 {0.248766 0.0893758 0.227735} O286 1782 0.0 -1 6 {} C 0.0 {0.277334 0.105139 0.265963} C286 1783 0.0 -1 1 {} H 0.0 {0.302909 0.0946383 0.280468} H1140 1784 0.0 -1 1 {} H 0.0 {0.283562 0.134502 0.258891} H1141 1785 0.0 -1 1 {} H 0.0 {0.255696 0.101424 0.287324} H1142 1786 0.0 -1 8 {} O 0.0 {0.319465 0.0788346 0.171556} O287 1787 0.0 -1 6 {} C 0.0 {0.361277 0.0922846 0.197761} C287 1788 0.0 -1 1 {} H 0.0 {0.374595 0.110952 0.177537} H1143 1789 0.0 -1 1 {} H 0.0 {0.358762 0.111153 0.220109} H1144 1790 0.0 -1 1 {} H 0.0 {0.37846 0.0698609 0.205489} H1145 1791 0.0 -1 8 {} O 0.0 {0.984653 0.159752 0.779006} O288 1792 0.0 -1 6 {} C 0.0 {0.0137589 0.151191 0.817824} C288 1793 0.0 -1 1 {} H 0.0 {0.0423752 0.151618 0.81345} H1146 1794 0.0 -1 1 {} H 0.0 {0.00717356 0.171811 0.838994} H1147 1795 0.0 -1 1 {} H 0.0 {0.00702359 0.123206 0.828306} H1148 1796 0.0 -1 1 {} H 0.0 {0.366998 0.16745 0.30822} H1149 1797 0.0 -1 1 {} H 0.0 {0.00117489 0.15412 0.757425} H1150 1798 0.0 -1 1 {} H 0.0 {0.309513 0.00347831 0.190912} H1151 1799 0.0 -1 1 {} H 0.0 {0.249102 0.1108 0.213691} H1152 1800 0.0 -1 14 {} Si 0.0 {0.47759 0.000892194 0.273169} Si73 1801 0.0 -1 8 {} O 0.0 {0.509587 0.024763 0.225376} O289 1802 0.0 -1 6 {} C 0.0 {0.49499 0.985919 0.199491} C289 1803 0.0 -1 1 {} H 0.0 {0.478727 0.994808 0.176955} H1153 1804 0.0 -1 1 {} H 0.0 {0.521678 0.97619 0.190992} H1154 1805 0.0 -1 1 {} H 0.0 {0.479154 0.960056 0.208618} H1155 1806 0.0 -1 8 {} O 0.0 {0.431848 0.00254148 0.23718} O290 1807 0.0 -1 6 {} C 0.0 {0.403858 0.999956 0.277477} C290 1808 0.0 -1 1 {} H 0.0 {0.393457 0.971109 0.277211} H1156 1809 0.0 -1 1 {} H 0.0 {0.415793 0.00423578 0.303771} H1157 1810 0.0 -1 1 {} H 0.0 {0.383412 0.0222688 0.273445} H1158 1811 0.0 -1 8 {} O 0.0 {0.459476 0.958395 0.312684} O291 1812 0.0 -1 6 {} C 0.0 {0.506481 0.944348 0.304064} C291 1813 0.0 -1 1 {} H 0.0 {0.503312 0.917299 0.294071} H1159 1814 0.0 -1 1 {} H 0.0 {0.522379 0.958322 0.282833} H1160 1815 0.0 -1 1 {} H 0.0 {0.522098 0.945395 0.330144} H1161 1816 0.0 -1 8 {} O 0.0 {0.466134 0.0507533 0.303451} O292 1817 0.0 -1 6 {} C 0.0 {0.514999 0.0566117 0.298832} C292 1818 0.0 -1 1 {} H 0.0 {0.519972 0.0793971 0.280675} H1162 1819 0.0 -1 1 {} H 0.0 {0.520525 0.0618485 0.328714} H1163 1820 0.0 -1 1 {} H 0.0 {0.539186 0.0390545 0.287493} H1164 1821 0.0 -1 1 {} H 0.0 {0.381832 0.977003 0.665766} H1165 1822 0.0 -1 1 {} H 0.0 {0.467418 0.0404294 0.326789} H1166 1823 0.0 -1 1 {} H 0.0 {0.49324 0.0438094 0.213998} H1167 1824 0.0 -1 1 {} H 0.0 {0.429476 0.0302245 0.231883} H1168 1825 0.0 -1 14 {} Si 0.0 {0.304647 0.888957 0.532416} Si74 1826 0.0 -1 8 {} O 0.0 {0.315998 0.942645 0.514075} O293 1827 0.0 -1 6 {} C 0.0 {0.36201 0.935879 0.531762} C293 1828 0.0 -1 1 {} H 0.0 {0.366709 0.963975 0.546193} H1169 1829 0.0 -1 1 {} H 0.0 {0.371449 0.914645 0.55098} H1170 1830 0.0 -1 1 {} H 0.0 {0.378705 0.931641 0.507581} H1171 1831 0.0 -1 8 {} O 0.0 {0.3415 0.858577 0.568999} O294 1832 0.0 -1 6 {} C 0.0 {0.352969 0.838096 0.525168} C294 1833 0.0 -1 1 {} H 0.0 {0.330436 0.823987 0.512438} H1172 1834 0.0 -1 1 {} H 0.0 {0.372415 0.852764 0.505396} H1173 1835 0.0 -1 1 {} H 0.0 {0.369278 0.814525 0.532701} H1174 1836 0.0 -1 8 {} O 0.0 {0.26755 0.889443 0.555093} O295 1837 0.0 -1 6 {} C 0.0 {0.266066 0.87965 0.601743} C295 1838 0.0 -1 1 {} H 0.0 {0.291606 0.871019 0.615789} H1175 1839 0.0 -1 1 {} H 0.0 {0.25597 0.90333 0.616344} H1176 1840 0.0 -1 1 {} H 0.0 {0.246666 0.855553 0.605232} H1177 1841 0.0 -1 8 {} O 0.0 {0.283654 0.862375 0.483925} O296 1842 0.0 -1 6 {} C 0.0 {0.281935 0.817601 0.462519} C296 1843 0.0 -1 1 {} H 0.0 {0.309624 0.815175 0.448577} H1178 1844 0.0 -1 1 {} H 0.0 {0.277916 0.795423 0.481987} H1179 1845 0.0 -1 1 {} H 0.0 {0.259834 0.818529 0.442007} H1180 1846 0.0 -1 1 {} H 0.0 {0.370191 0.122136 0.732148} H1181 1847 0.0 -1 1 {} H 0.0 {0.258831 0.871053 0.486692} H1182 1848 0.0 -1 1 {} H 0.0 {0.309128 0.959992 0.535115} H1183 1849 0.0 -1 1 {} H 0.0 {0.326924 0.840012 0.579319} H1184 1850 0.0 -1 14 {} Si 0.0 {0.591398 0.114332 0.206179} Si75 1851 0.0 -1 8 {} O 0.0 {0.587975 0.168123 0.224964} O297 1852 0.0 -1 6 {} C 0.0 {0.548193 0.146007 0.247702} C297 1853 0.0 -1 1 {} H 0.0 {0.524423 0.164195 0.237247} H1185 1854 0.0 -1 1 {} H 0.0 {0.539985 0.117768 0.250202} H1186 1855 0.0 -1 1 {} H 0.0 {0.557514 0.152843 0.27661} H1187 1856 0.0 -1 8 {} O 0.0 {0.645629 0.0971845 0.214524} O298 1857 0.0 -1 6 {} C 0.0 {0.618594 0.0650267 0.242626} C298 1858 0.0 -1 1 {} H 0.0 {0.626025 0.0692824 0.272529} H1188 1859 0.0 -1 1 {} H 0.0 {0.588149 0.0600683 0.239302} H1189 1860 0.0 -1 1 {} H 0.0 {0.630424 0.0386055 0.235096} H1190 1861 0.0 -1 8 {} O 0.0 {0.587202 0.115865 0.150302} O299 1862 0.0 -1 6 {} C 0.0 {0.554728 0.0803754 0.16696} C299 1863 0.0 -1 1 {} H 0.0 {0.544649 0.0690931 0.192413} H1191 1864 0.0 -1 1 {} H 0.0 {0.52755 0.0874001 0.155404} H1192 1865 0.0 -1 1 {} H 0.0 {0.563665 0.0533239 0.15497} H1193 1866 0.0 -1 8 {} O 0.0 {0.0794501 0.00254733 0.168947} O300 1867 0.0 -1 6 {} C 0.0 {0.0344382 0.0209563 0.170206} C300 1868 0.0 -1 1 {} H 0.0 {0.0254291 0.0222731 0.142333} H1194 1869 0.0 -1 1 {} H 0.0 {0.0145024 0.0067527 0.188748} H1195 1870 0.0 -1 1 {} H 0.0 {0.0348576 0.0478442 0.182794} H1196 1871 0.0 -1 1 {} H 0.0 {0.203754 0.0553969 0.083864} H1197 1872 0.0 -1 1 {} H 0.0 {0.0830291 0.995358 0.195425} H1198 1873 0.0 -1 1 {} H 0.0 {0.572994 0.178356 0.202993} H1199 1874 0.0 -1 1 {} H 0.0 {0.649621 0.0810833 0.192471} H1200 1875 0.0 -1 14 {} Si 0.0 {0.606162 0.270322 0.0208642} Si76 1876 0.0 -1 8 {} O 0.0 {0.567809 0.295402 0.984952} O301 1877 0.0 -1 6 {} C 0.0 {0.540109 0.296662 0.0270133} C301 1878 0.0 -1 1 {} H 0.0 {0.533306 0.326569 0.024492} H1201 1879 0.0 -1 1 {} H 0.0 {0.51547 0.279169 0.0213418} H1202 1880 0.0 -1 1 {} H 0.0 {0.551897 0.28726 0.053599} H1203 1881 0.0 -1 8 {} O 0.0 {0.656795 0.300639 0.0279745} O302 1882 0.0 -1 6 {} C 0.0 {0.635245 0.292896 0.0728538} C302 1883 0.0 -1 1 {} H 0.0 {0.611509 0.278033 0.0825572} H1204 1884 0.0 -1 1 {} H 0.0 {0.656261 0.27303 0.0854702} H1205 1885 0.0 -1 1 {} H 0.0 {0.631022 0.323326 0.0796765} H1206 1886 0.0 -1 8 {} O 0.0 {0.564669 0.227589 0.0326376} O303 1887 0.0 -1 6 {} C 0.0 {0.605474 0.20081 0.0394599} C303 1888 0.0 -1 1 {} H 0.0 {0.597022 0.183074 0.062639} H1207 1889 0.0 -1 1 {} H 0.0 {0.60667 0.18124 0.0166694} H1208 1890 0.0 -1 1 {} H 0.0 {0.634214 0.211036 0.0444151} H1209 1891 0.0 -1 8 {} O 0.0 {0.62372 0.236763 0.975648} O304 1892 0.0 -1 6 {} C 0.0 {0.665123 0.252696 0.957377} C304 1893 0.0 -1 1 {} H 0.0 {0.669268 0.245946 0.928547} H1210 1894 0.0 -1 1 {} H 0.0 {0.66456 0.282918 0.956827} H1211 1895 0.0 -1 1 {} H 0.0 {0.688526 0.241535 0.972025} H1212 1896 0.0 -1 1 {} H 0.0 {0.817679 0.441327 0.165693} H1213 1897 0.0 -1 1 {} H 0.0 {0.606937 0.240973 0.9523} H1214 1898 0.0 -1 1 {} H 0.0 {0.556716 0.273807 0.972926} H1215 1899 0.0 -1 1 {} H 0.0 {0.676612 0.279389 0.0278568} H1216 1900 0.0 -1 14 {} Si 0.0 {0.744278 0.385589 0.30743} Si77 1901 0.0 -1 8 {} O 0.0 {0.762987 0.371227 0.253637} O305 1902 0.0 -1 6 {} C 0.0 {0.715176 0.380569 0.246543} C305 1903 0.0 -1 1 {} H 0.0 {0.716927 0.403244 0.224981} H1217 1904 0.0 -1 1 {} H 0.0 {0.707782 0.354818 0.231638} H1218 1905 0.0 -1 1 {} H 0.0 {0.692824 0.389088 0.265538} H1219 1906 0.0 -1 8 {} O 0.0 {0.775937 0.434392 0.319974} O306 1907 0.0 -1 6 {} C 0.0 {0.730501 0.452291 0.326784} C306 1908 0.0 -1 1 {} H 0.0 {0.726805 0.474935 0.30676} H1220 1909 0.0 -1 1 {} H 0.0 {0.704394 0.436419 0.322709} H1221 1910 0.0 -1 1 {} H 0.0 {0.731634 0.459154 0.358082} H1222 1911 0.0 -1 8 {} O 0.0 {0.698827 0.349124 0.314626} O307 1912 0.0 -1 6 {} C 0.0 {0.718074 0.349644 0.360766} C307 1913 0.0 -1 1 {} H 0.0 {0.697899 0.364944 0.377788} H1223 1914 0.0 -1 1 {} H 0.0 {0.71672 0.319444 0.365015} H1224 1915 0.0 -1 1 {} H 0.0 {0.743176 0.354407 0.374533} H1225 1916 0.0 -1 8 {} O 0.0 {0.79253 0.354108 0.327451} O308 1917 0.0 -1 6 {} C 0.0 {0.797711 0.306478 0.332146} C308 1918 0.0 -1 1 {} H 0.0 {0.769898 0.296595 0.344013} H1226 1919 0.0 -1 1 {} H 0.0 {0.79984 0.291757 0.30549} H1227 1920 0.0 -1 1 {} H 0.0 {0.81913 0.298892 0.350726} H1228 1921 0.0 -1 1 {} H 0.0 {0.648611 0.361369 0.360941} H1229 1922 0.0 -1 1 {} H 0.0 {0.81081 0.358864 0.30818} H1230 1923 0.0 -1 1 {} H 0.0 {0.761486 0.343548 0.256149} H1231 1924 0.0 -1 1 {} H 0.0 {0.784226 0.428774 0.345804} H1232 1925 0.0 -1 14 {} Si 0.0 {0.505668 0.242058 0.465851} Si78 1926 0.0 -1 8 {} O 0.0 {0.46065 0.255193 0.43361} O309 1927 0.0 -1 6 {} C 0.0 {0.49117 0.237937 0.396684} C309 1928 0.0 -1 1 {} H 0.0 {0.514319 0.218329 0.396155} H1233 1929 0.0 -1 1 {} H 0.0 {0.471099 0.222118 0.379478} H1234 1930 0.0 -1 1 {} H 0.0 {0.503271 0.263094 0.382391} H1235 1931 0.0 -1 8 {} O 0.0 {0.479307 0.199273 0.495254} O310 1932 0.0 -1 6 {} C 0.0 {0.524825 0.17926 0.485416} C310 1933 0.0 -1 1 {} H 0.0 {0.514294 0.155294 0.471655} H1236 1934 0.0 -1 1 {} H 0.0 {0.546066 0.190602 0.468602} H1237 1935 0.0 -1 1 {} H 0.0 {0.537741 0.175998 0.512555} H1238 1936 0.0 -1 8 {} O 0.0 {0.550895 0.265414 0.431624} O311 1937 0.0 -1 6 {} C 0.0 {0.565391 0.27869 0.477021} C311 1938 0.0 -1 1 {} H 0.0 {0.567422 0.307671 0.482675} H1239 1939 0.0 -1 1 {} H 0.0 {0.547741 0.268414 0.500334} H1240 1940 0.0 -1 1 {} H 0.0 {0.591829 0.265889 0.480678} H1241 1941 0.0 -1 8 {} O 0.0 {0.489674 0.286466 0.502154} O312 1942 0.0 -1 6 {} C 0.0 {0.469653 0.270698 0.54411} C312 1943 0.0 -1 1 {} H 0.0 {0.443942 0.254572 0.537862} H1242 1944 0.0 -1 1 {} H 0.0 {0.48917 0.254054 0.559907} H1243 1945 0.0 -1 1 {} H 0.0 {0.461344 0.295287 0.560803} H1244 1946 0.0 -1 1 {} H 0.0 {0.54732 0.461298 0.520415} H1245 1947 0.0 -1 1 {} H 0.0 {0.467088 0.298979 0.493206} H1246 1948 0.0 -1 1 {} H 0.0 {0.444324 0.23393 0.439458} H1247 1949 0.0 -1 1 {} H 0.0 {0.465596 0.184852 0.475567} H1248 1950 0.0 -1 14 {} Si 0.0 {0.419774 0.112878 0.433296} Si79 1951 0.0 -1 8 {} O 0.0 {0.419442 0.17435 0.436675} O313 1952 0.0 -1 6 {} C 0.0 {0.386402 0.166431 0.471654} C313 1953 0.0 -1 1 {} H 0.0 {0.366012 0.185451 0.461785} H1249 1954 0.0 -1 1 {} H 0.0 {0.368484 0.143209 0.476377} H1250 1955 0.0 -1 1 {} H 0.0 {0.398284 0.173098 0.497965} H1251 1956 0.0 -1 8 {} O 0.0 {0.432188 0.0567675 0.447711} O314 1957 0.0 -1 6 {} C 0.0 {0.415432 0.0750884 0.490154} C314 1958 0.0 -1 1 {} H 0.0 {0.414894 0.102216 0.50306} H1252 1959 0.0 -1 1 {} H 0.0 {0.390526 0.0604405 0.49784} H1253 1960 0.0 -1 1 {} H 0.0 {0.439931 0.0675027 0.507837} H1254 1961 0.0 -1 8 {} O 0.0 {0.412941 0.1015 0.378895} O315 1962 0.0 -1 6 {} C 0.0 {0.37709 0.0710582 0.398137} C315 1963 0.0 -1 1 {} H 0.0 {0.352732 0.087447 0.386585} H1255 1964 0.0 -1 1 {} H 0.0 {0.384456 0.0497032 0.377819} H1256 1965 0.0 -1 1 {} H 0.0 {0.368256 0.0600096 0.42392} H1257 1966 0.0 -1 8 {} O 0.0 {0.475709 0.129208 0.425103} O316 1967 0.0 -1 6 {} C 0.0 {0.512482 0.122726 0.393655} C316 1968 0.0 -1 1 {} H 0.0 {0.510423 0.145697 0.374697} H1258 1969 0.0 -1 1 {} H 0.0 {0.537621 0.121368 0.407876} H1259 1970 0.0 -1 1 {} H 0.0 {0.506907 0.0976528 0.376856} H1260 1971 0.0 -1 1 {} H 0.0 {0.431962 0.189305 0.65974} H1261 1972 0.0 -1 1 {} H 0.0 {0.479312 0.156642 0.433141} H1262 1973 0.0 -1 1 {} H 0.0 {0.402943 0.176634 0.41591} H1263 1974 0.0 -1 1 {} H 0.0 {0.45943 0.057492 0.452645} H1264 1975 0.0 -1 14 {} Si 0.0 {0.383167 0.203247 0.955979} Si80 1976 0.0 -1 8 {} O 0.0 {0.436431 0.195398 0.975844} O317 1977 0.0 -1 6 {} C 0.0 {0.418163 0.14895 0.982515} C317 1978 0.0 -1 1 {} H 0.0 {0.409874 0.143144 0.0115423} H1265 1979 0.0 -1 1 {} H 0.0 {0.394856 0.140452 0.962624} H1266 1980 0.0 -1 1 {} H 0.0 {0.441711 0.132412 0.975681} H1267 1981 0.0 -1 8 {} O 0.0 {0.324632 0.202058 0.942753} O318 1982 0.0 -1 6 {} C 0.0 {0.325031 0.190557 0.990921} C318 1983 0.0 -1 1 {} H 0.0 {0.316493 0.16054 0.990975} H1268 1984 0.0 -1 1 {} H 0.0 {0.347261 0.189325 0.0109986} H1269 1985 0.0 -1 1 {} H 0.0 {0.306325 0.210187 0.00542403} H1270 1986 0.0 -1 8 {} O 0.0 {0.377254 0.247764 0.994139} O319 1987 0.0 -1 6 {} C 0.0 {0.3611 0.293166 0.983612} C319 1988 0.0 -1 1 {} H 0.0 {0.380845 0.313474 0.994021} H1271 1989 0.0 -1 1 {} H 0.0 {0.364274 0.292663 0.953281} H1272 1990 0.0 -1 1 {} H 0.0 {0.332803 0.297131 0.992518} H1273 1991 0.0 -1 8 {} O 0.0 {0.391401 0.2367 0.908175} O320 1992 0.0 -1 6 {} C 0.0 {0.37324 0.197141 0.884076} C320 1993 0.0 -1 1 {} H 0.0 {0.397686 0.196376 0.864244} H1274 1994 0.0 -1 1 {} H 0.0 {0.373279 0.167989 0.893799} H1275 1995 0.0 -1 1 {} H 0.0 {0.345057 0.201712 0.873273} H1276 1996 0.0 -1 1 {} H 0.0 {0.477715 0.242954 0.876204} H1277 1997 0.0 -1 1 {} H 0.0 {0.419723 0.233305 0.904362} H1278 1998 0.0 -1 1 {} H 0.0 {0.452081 0.19152 0.952434} H1279 1999 0.0 -1 1 {} H 0.0 {0.319136 0.22842 0.945927} H1280 2000 0.0 -1 14 {} Si 0.0 {0.793436 0.421259 0.103364} Si81 2001 0.0 -1 8 {} O 0.0 {0.75904 0.397019 0.0617603} O321 2002 0.0 -1 6 {} C 0.0 {0.793495 0.362711 0.0639193} C321 2003 0.0 -1 1 {} H 0.0 {0.782926 0.337559 0.0749495} H1281 2004 0.0 -1 1 {} H 0.0 {0.797326 0.360409 0.0335165} H1282 2005 0.0 -1 1 {} H 0.0 {0.824047 0.367106 0.0721081} H1283 2006 0.0 -1 8 {} O 0.0 {0.768604 0.475508 0.103599} O322 2007 0.0 -1 6 {} C 0.0 {0.728811 0.448256 0.111641} C322 2008 0.0 -1 1 {} H 0.0 {0.715442 0.464165 0.133754} H1284 2009 0.0 -1 1 {} H 0.0 {0.711907 0.447167 0.0870652} H1285 2010 0.0 -1 1 {} H 0.0 {0.732922 0.420497 0.121769} H1286 2011 0.0 -1 8 {} O 0.0 {0.829651 0.423963 0.150486} O323 2012 0.0 -1 6 {} C 0.0 {0.799658 0.385391 0.161517} C323 2013 0.0 -1 1 {} H 0.0 {0.771134 0.38302 0.15181} H1287 2014 0.0 -1 1 {} H 0.0 {0.813009 0.357697 0.159545} H1288 2015 0.0 -1 1 {} H 0.0 {0.790354 0.394136 0.190159} H1289 2016 0.0 -1 8 {} O 0.0 {0.834136 0.435302 0.0651128} O324 2017 0.0 -1 6 {} C 0.0 {0.880688 0.440231 0.079475} C324 2018 0.0 -1 1 {} H 0.0 {0.879671 0.461348 0.100953} H1290 2019 0.0 -1 1 {} H 0.0 {0.88936 0.414631 0.0920411} H1291 2020 0.0 -1 1 {} H 0.0 {0.897212 0.449838 0.0560843} H1292 2021 0.0 -1 1 {} H 0.0 {0.419485 0.344223 0.193171} H1293 2022 0.0 -1 1 {} H 0.0 {0.827438 0.46323 0.0648335} H1294 2023 0.0 -1 1 {} H 0.0 {0.763101 0.408756 0.0384234} H1295 2024 0.0 -1 1 {} H 0.0 {0.775015 0.482221 0.131473} H1296 2025 0.0 -1 14 {} Si 0.0 {0.587934 0.357542 0.330988} Si82 2026 0.0 -1 8 {} O 0.0 {0.618862 0.385681 0.292595} O325 2027 0.0 -1 6 {} C 0.0 {0.62174 0.342249 0.268467} C325 2028 0.0 -1 1 {} H 0.0 {0.627135 0.314762 0.280753} H1297 2029 0.0 -1 1 {} H 0.0 {0.598766 0.340082 0.24804} H1298 2030 0.0 -1 1 {} H 0.0 {0.647856 0.348337 0.254151} H1299 2031 0.0 -1 8 {} O 0.0 {0.552105 0.324426 0.297489} O326 2032 0.0 -1 6 {} C 0.0 {0.520489 0.335044 0.335567} C326 2033 0.0 -1 1 {} H 0.0 {0.497789 0.348031 0.319242} H1300 2034 0.0 -1 1 {} H 0.0 {0.514216 0.306478 0.343665} H1301 2035 0.0 -1 1 {} H 0.0 {0.525532 0.350615 0.361752} H1302 2036 0.0 -1 8 {} O 0.0 {0.62561 0.366133 0.375738} O327 2037 0.0 -1 6 {} C 0.0 {0.613476 0.318415 0.381261} C327 2038 0.0 -1 1 {} H 0.0 {0.602599 0.31919 0.409508} H1303 2039 0.0 -1 1 {} H 0.0 {0.592743 0.301771 0.366421} H1304 2040 0.0 -1 1 {} H 0.0 {0.639102 0.301556 0.37669} H1305 2041 0.0 -1 8 {} O 0.0 {0.557373 0.406146 0.345402} O328 2042 0.0 -1 6 {} C 0.0 {0.540644 0.425595 0.387725} C328 2043 0.0 -1 1 {} H 0.0 {0.5252 0.451037 0.382287} H1306 2044 0.0 -1 1 {} H 0.0 {0.520321 0.405655 0.397936} H1307 2045 0.0 -1 1 {} H 0.0 {0.560889 0.432685 0.408077} H1308 2046 0.0 -1 1 {} H 0.0 {0.584821 0.507256 0.473693} H1309 2047 0.0 -1 1 {} H 0.0 {0.580147 0.424313 0.340738} H1310 2048 0.0 -1 1 {} H 0.0 {0.645116 0.385481 0.301429} H1311 2049 0.0 -1 1 {} H 0.0 {0.545921 0.34248 0.27727} H1312 2050 0.0 -1 14 {} Si 0.0 {0.517296 0.461751 0.580268} Si83 2051 0.0 -1 8 {} O 0.0 {0.512747 0.404218 0.576553} O329 2052 0.0 -1 6 {} C 0.0 {0.562163 0.406146 0.581785} C329 2053 0.0 -1 1 {} H 0.0 {0.577777 0.427447 0.596565} H1313 2054 0.0 -1 1 {} H 0.0 {0.563396 0.383949 0.603334} H1314 2055 0.0 -1 1 {} H 0.0 {0.574331 0.398826 0.555512} H1315 2056 0.0 -1 8 {} O 0.0 {0.478533 0.479293 0.621413} O330 2057 0.0 -1 6 {} C 0.0 {0.52002 0.49599 0.643137} C330 2058 0.0 -1 1 {} H 0.0 {0.508281 0.523134 0.651502} H1316 2059 0.0 -1 1 {} H 0.0 {0.529348 0.477076 0.66434} H1317 2060 0.0 -1 1 {} H 0.0 {0.545517 0.505838 0.629253} H1318 2061 0.0 -1 8 {} O 0.0 {0.562486 0.464852 0.543583} O331 2062 0.0 -1 6 {} C 0.0 {0.554712 0.513747 0.550612} C331 2063 0.0 -1 1 {} H 0.0 {0.581498 0.520732 0.560172} H1319 2064 0.0 -1 1 {} H 0.0 {0.54722 0.522194 0.521749} H1320 2065 0.0 -1 1 {} H 0.0 {0.537707 0.528054 0.571522} H1321 2066 0.0 -1 8 {} O 0.0 {0.482871 0.471989 0.533772} O332 2067 0.0 -1 6 {} C 0.0 {0.480944 0.514527 0.507618} C332 2068 0.0 -1 1 {} H 0.0 {0.505019 0.516551 0.48694} H1322 2069 0.0 -1 1 {} H 0.0 {0.456844 0.509173 0.492975} H1323 2070 0.0 -1 1 {} H 0.0 {0.478578 0.53743 0.526148} H1324 2071 0.0 -1 1 {} H 0.0 {0.855312 0.36998 0.328346} H1325 2072 0.0 -1 1 {} H 0.0 {0.458578 0.474033 0.546793} H1326 2073 0.0 -1 1 {} H 0.0 {0.509824 0.400414 0.549771} H1327 2074 0.0 -1 1 {} H 0.0 {0.471637 0.503252 0.611289} H1328 2075 0.0 -1 14 {} Si 0.0 {0.498871 0.19406 0.660806} Si84 2076 0.0 -1 8 {} O 0.0 {0.481347 0.240707 0.630043} O333 2077 0.0 -1 6 {} C 0.0 {0.494845 0.260465 0.673487} C333 2078 0.0 -1 1 {} H 0.0 {0.506087 0.247399 0.696843} H1329 2079 0.0 -1 1 {} H 0.0 {0.515547 0.279891 0.666357} H1330 2080 0.0 -1 1 {} H 0.0 {0.468486 0.270952 0.684982} H1331 2081 0.0 -1 8 {} O 0.0 {0.554374 0.211259 0.677333} O334 2082 0.0 -1 6 {} C 0.0 {0.560038 0.162773 0.681648} C334 2083 0.0 -1 1 {} H 0.0 {0.567931 0.157892 0.710178} H1332 2084 0.0 -1 1 {} H 0.0 {0.535316 0.142646 0.679781} H1333 2085 0.0 -1 1 {} H 0.0 {0.579904 0.152265 0.661462} H1334 2086 0.0 -1 8 {} O 0.0 {0.448515 0.167245 0.65596} O335 2087 0.0 -1 6 {} C 0.0 {0.459058 0.156014 0.70396} C335 2088 0.0 -1 1 {} H 0.0 {0.477521 0.170983 0.721375} H1335 2089 0.0 -1 1 {} H 0.0 {0.431239 0.159071 0.715191} H1336 2090 0.0 -1 1 {} H 0.0 {0.467139 0.126704 0.705952} H1337 2091 0.0 -1 8 {} O 0.0 {0.518827 0.169528 0.609502} O336 2092 0.0 -1 6 {} C 0.0 {0.506175 0.131151 0.583344} C336 2093 0.0 -1 1 {} H 0.0 {0.516124 0.134201 0.554821} H1338 2094 0.0 -1 1 {} H 0.0 {0.5179 0.106554 0.594584} H1339 2095 0.0 -1 1 {} H 0.0 {0.47511 0.131725 0.585344} H1340 2096 0.0 -1 1 {} H 0.0 {0.645542 0.348607 0.999973} H1341 2097 0.0 -1 1 {} H 0.0 {0.499997 0.187937 0.599208} H1342 2098 0.0 -1 1 {} H 0.0 {0.454585 0.239898 0.634014} H1343 2099 0.0 -1 1 {} H 0.0 {0.56461 0.215587 0.652132} H1344 2100 0.0 -1 14 {} Si 0.0 {0.522341 0.206721 0.914793} Si85 2101 0.0 -1 8 {} O 0.0 {0.545811 0.17682 0.958262} O337 2102 0.0 -1 6 {} C 0.0 {0.521044 0.137689 0.938319} C337 2103 0.0 -1 1 {} H 0.0 {0.532576 0.119527 0.917257} H1345 2104 0.0 -1 1 {} H 0.0 {0.522399 0.123724 0.964551} H1346 2105 0.0 -1 1 {} H 0.0 {0.492832 0.139855 0.931178} H1347 2106 0.0 -1 8 {} O 0.0 {0.565376 0.24291 0.900075} O338 2107 0.0 -1 6 {} C 0.0 {0.58126 0.200719 0.878663} C338 2108 0.0 -1 1 {} H 0.0 {0.57179 0.174467 0.888717} H1348 2109 0.0 -1 1 {} H 0.0 {0.576794 0.202291 0.848396} H1349 2110 0.0 -1 1 {} H 0.0 {0.610995 0.201862 0.885393} H1350 2111 0.0 -1 8 {} O 0.0 {0.469825 0.226663 0.894138} O339 2112 0.0 -1 6 {} C 0.0 {0.474877 0.181883 0.872388} C339 2113 0.0 -1 1 {} H 0.0 {0.467225 0.18626 0.843562} H1351 2114 0.0 -1 1 {} H 0.0 {0.500057 0.165335 0.866706} H1352 2115 0.0 -1 1 {} H 0.0 {0.456139 0.1622 0.88456} H1353 2116 0.0 -1 8 {} O 0.0 {0.50961 0.245475 0.957534} O340 2117 0.0 -1 6 {} C 0.0 {0.477146 0.282699 0.955819} C340 2118 0.0 -1 1 {} H 0.0 {0.479524 0.295733 0.982848} H1354 2119 0.0 -1 1 {} H 0.0 {0.491309 0.300142 0.935263} H1355 2120 0.0 -1 1 {} H 0.0 {0.447113 0.274026 0.947641} H1356 2121 0.0 -1 1 {} H 0.0 {0.603676 0.414116 0.0518574} H1357 2122 0.0 -1 1 {} H 0.0 {0.496115 0.228795 0.975228} H1358 2123 0.0 -1 1 {} H 0.0 {0.531266 0.182662 0.981207} H1359 2124 0.0 -1 1 {} H 0.0 {0.580635 0.242395 0.922952} H1360 2125 0.0 -1 14 {} Si 0.0 {0.45005 0.328702 0.134145} Si86 2126 0.0 -1 8 {} O 0.0 {0.432456 0.300177 0.0839361} O341 2127 0.0 -1 6 {} C 0.0 {0.451523 0.340162 0.0624197} C341 2128 0.0 -1 1 {} H 0.0 {0.474615 0.329264 0.0472275} H1361 2129 0.0 -1 1 {} H 0.0 {0.433365 0.359948 0.0495027} H1362 2130 0.0 -1 1 {} H 0.0 {0.467085 0.361242 0.0797256} H1363 2131 0.0 -1 8 {} O 0.0 {0.50889 0.323076 0.112469} O342 2132 0.0 -1 6 {} C 0.0 {0.516701 0.331978 0.159584} C342 2133 0.0 -1 1 {} H 0.0 {0.538693 0.311624 0.1669} H1364 2134 0.0 -1 1 {} H 0.0 {0.523939 0.361284 0.163627} H1365 2135 0.0 -1 1 {} H 0.0 {0.49923 0.325918 0.185385} H1366 2136 0.0 -1 8 {} O 0.0 {0.407974 0.350461 0.169488} O343 2137 0.0 -1 6 {} C 0.0 {0.432926 0.392468 0.165225} C343 2138 0.0 -1 1 {} H 0.0 {0.46211 0.389175 0.153705} H1367 2139 0.0 -1 1 {} H 0.0 {0.419091 0.412465 0.148438} H1368 2140 0.0 -1 1 {} H 0.0 {0.436499 0.400859 0.193568} H1369 2141 0.0 -1 8 {} O 0.0 {0.463033 0.275231 0.159861} O344 2142 0.0 -1 6 {} C 0.0 {0.415265 0.266616 0.151127} C344 2143 0.0 -1 1 {} H 0.0 {0.416062 0.238141 0.137049} H1370 2144 0.0 -1 1 {} H 0.0 {0.404277 0.267111 0.178961} H1371 2145 0.0 -1 1 {} H 0.0 {0.397203 0.283024 0.135927} H1372 2146 0.0 -1 1 {} H 0.0 {0.429638 0.537031 0.117451} H1373 2147 0.0 -1 1 {} H 0.0 {0.472789 0.26212 0.139319} H1374 2148 0.0 -1 1 {} H 0.0 {0.453979 0.283499 0.0813982} H1375 2149 0.0 -1 1 {} H 0.0 {0.510754 0.294698 0.110681} H1376 2150 0.0 -1 14 {} Si 0.0 {0.586674 0.563761 0.435139} Si87 2151 0.0 -1 8 {} O 0.0 {0.572279 0.625627 0.438336} O345 2152 0.0 -1 6 {} C 0.0 {0.566291 0.611977 0.484757} C345 2153 0.0 -1 1 {} H 0.0 {0.584821 0.628517 0.501474} H1377 2154 0.0 -1 1 {} H 0.0 {0.537893 0.614263 0.489067} H1378 2155 0.0 -1 1 {} H 0.0 {0.568984 0.583009 0.494105} H1379 2156 0.0 -1 8 {} O 0.0 {0.580509 0.557703 0.376401} O346 2157 0.0 -1 6 {} C 0.0 {0.616407 0.592852 0.374412} C346 2158 0.0 -1 1 {} H 0.0 {0.646016 0.585752 0.375062} H1380 2159 0.0 -1 1 {} H 0.0 {0.605637 0.604922 0.347565} H1381 2160 0.0 -1 1 {} H 0.0 {0.617368 0.618082 0.389689} H1382 2161 0.0 -1 8 {} O 0.0 {0.603011 0.507647 0.452348} O347 2162 0.0 -1 6 {} C 0.0 {0.637099 0.539182 0.47171} C347 2163 0.0 -1 1 {} H 0.0 {0.634424 0.529037 0.500482} H1383 2164 0.0 -1 1 {} H 0.0 {0.660852 0.528867 0.456831} H1384 2165 0.0 -1 1 {} H 0.0 {0.640823 0.570133 0.473723} H1385 2166 0.0 -1 8 {} O 0.0 {0.531407 0.548396 0.4511} O348 2167 0.0 -1 6 {} C 0.0 {0.534005 0.512656 0.418397} C348 2168 0.0 -1 1 {} H 0.0 {0.558791 0.504029 0.405697} H1386 2169 0.0 -1 1 {} H 0.0 {0.526971 0.489653 0.436697} H1387 2170 0.0 -1 1 {} H 0.0 {0.513955 0.516099 0.395523} H1388 2171 0.0 -1 1 {} H 0.0 {0.563917 0.443912 0.291981} H1389 2172 0.0 -1 1 {} H 0.0 {0.516304 0.567308 0.437205} H1390 2173 0.0 -1 1 {} H 0.0 {0.547503 0.625792 0.426489} H1391 2174 0.0 -1 1 {} H 0.0 {0.560927 0.575736 0.371384} H1392 2175 0.0 -1 14 {} Si 0.0 {0.878456 0.377404 0.395856} Si88 2176 0.0 -1 8 {} O 0.0 {0.821231 0.392687 0.401603} O349 2177 0.0 -1 6 {} C 0.0 {0.837714 0.436997 0.391321} C349 2178 0.0 -1 1 {} H 0.0 {0.863797 0.450563 0.385348} H1393 2179 0.0 -1 1 {} H 0.0 {0.824443 0.449354 0.365963} H1394 2180 0.0 -1 1 {} H 0.0 {0.829788 0.452522 0.415418} H1395 2181 0.0 -1 8 {} O 0.0 {0.86277 0.319387 0.388578} O350 2182 0.0 -1 6 {} C 0.0 {0.841104 0.328373 0.432548} C350 2183 0.0 -1 1 {} H 0.0 {0.842641 0.350401 0.452817} H1396 2184 0.0 -1 1 {} H 0.0 {0.812134 0.327603 0.423133} H1397 2185 0.0 -1 1 {} H 0.0 {0.849627 0.305811 0.450623} H1398 2186 0.0 -1 8 {} O 0.0 {0.878355 0.383921 0.334263} O351 2187 0.0 -1 6 {} C 0.0 {0.911038 0.348321 0.332699} C351 2188 0.0 -1 1 {} H 0.0 {0.93732 0.360164 0.324208} H1399 2189 0.0 -1 1 {} H 0.0 {0.920061 0.330551 0.355602} H1400 2190 0.0 -1 1 {} H 0.0 {0.899076 0.331248 0.312183} H1401 2191 0.0 -1 8 {} O 0.0 {0.938589 0.378119 0.404747} O352 2192 0.0 -1 6 {} C 0.0 {0.92131 0.406369 0.441893} C352 2193 0.0 -1 1 {} H 0.0 {0.936489 0.43165 0.434126} H1402 2194 0.0 -1 1 {} H 0.0 {0.894203 0.418157 0.445903} H1403 2195 0.0 -1 1 {} H 0.0 {0.927961 0.39576 0.468205} H1404 2196 0.0 -1 1 {} H 0.0 {0.104034 0.686044 0.621484} H1405 2197 0.0 -1 1 {} H 0.0 {0.943415 0.396368 0.386665} H1406 2198 0.0 -1 1 {} H 0.0 {0.815737 0.382362 0.375801} H1407 2199 0.0 -1 1 {} H 0.0 {0.886448 0.311124 0.396526} H1408 2200 0.0 -1 14 {} Si 0.0 {0.694823 0.394028 0.979062} Si89 2201 0.0 -1 8 {} O 0.0 {0.715358 0.348618 0.948409} O353 2202 0.0 -1 6 {} C 0.0 {0.738959 0.340367 0.991714} C353 2203 0.0 -1 1 {} H 0.0 {0.768578 0.334908 0.985411} H1409 2204 0.0 -1 1 {} H 0.0 {0.738109 0.360326 0.0121616} H1410 2205 0.0 -1 1 {} H 0.0 {0.722714 0.317701 0.0044054} H1411 2206 0.0 -1 8 {} O 0.0 {0.678857 0.416156 0.927391} O354 2207 0.0 -1 6 {} C 0.0 {0.64586 0.452486 0.930327} C354 2208 0.0 -1 1 {} H 0.0 {0.624947 0.443005 0.950892} H1412 2209 0.0 -1 1 {} H 0.0 {0.652596 0.48002 0.937659} H1413 2210 0.0 -1 1 {} H 0.0 {0.632645 0.45359 0.903257} H1414 2211 0.0 -1 8 {} O 0.0 {0.641075 0.375669 0.995976} O355 2212 0.0 -1 6 {} C 0.0 {0.661018 0.395515 0.0365939} C355 2213 0.0 -1 1 {} H 0.0 {0.690224 0.399048 0.0435366} H1415 2214 0.0 -1 1 {} H 0.0 {0.651816 0.423557 0.0450227} H1416 2215 0.0 -1 1 {} H 0.0 {0.657853 0.371879 0.0564866} H1417 2216 0.0 -1 8 {} O 0.0 {0.749763 0.41897 0.982697} O356 2217 0.0 -1 6 {} C 0.0 {0.722799 0.457237 0.99737} C356 2218 0.0 -1 1 {} H 0.0 {0.727162 0.463013 0.026947} H1418 2219 0.0 -1 1 {} H 0.0 {0.735284 0.475757 0.976214} H1419 2220 0.0 -1 1 {} H 0.0 {0.693156 0.460056 0.993394} H1420 2221 0.0 -1 1 {} H 0.0 {0.96504 0.479629 0.567154} H1421 2222 0.0 -1 1 {} H 0.0 {0.755567 0.426292 0.95628} H1422 2223 0.0 -1 1 {} H 0.0 {0.736072 0.363464 0.934408} H1423 2224 0.0 -1 1 {} H 0.0 {0.662219 0.397184 0.914414} H1424 2225 0.0 -1 14 {} Si 0.0 {0.588642 0.412744 0.123158} Si90 2226 0.0 -1 8 {} O 0.0 {0.648468 0.415609 0.126128} O357 2227 0.0 -1 6 {} C 0.0 {0.641461 0.462367 0.111791} C357 2228 0.0 -1 1 {} H 0.0 {0.614245 0.475416 0.110313} H1425 2229 0.0 -1 1 {} H 0.0 {0.658806 0.478736 0.131256} H1426 2230 0.0 -1 1 {} H 0.0 {0.647218 0.466399 0.0827205} H1427 2231 0.0 -1 8 {} O 0.0 {0.56287 0.402562 0.176704} O358 2232 0.0 -1 6 {} C 0.0 {0.544311 0.447305 0.163688} C358 2233 0.0 -1 1 {} H 0.0 {0.514562 0.441261 0.163416} H1428 2234 0.0 -1 1 {} H 0.0 {0.555204 0.466569 0.184059} H1429 2235 0.0 -1 1 {} H 0.0 {0.54613 0.463354 0.139004} H1430 2236 0.0 -1 8 {} O 0.0 {0.588366 0.432469 0.0665002} O359 2237 0.0 -1 6 {} C 0.0 {0.544859 0.408638 0.0646702} C359 2238 0.0 -1 1 {} H 0.0 {0.549329 0.388445 0.0426013} H1431 2239 0.0 -1 1 {} H 0.0 {0.526398 0.399933 0.0862878} H1432 2240 0.0 -1 1 {} H 0.0 {0.531069 0.432949 0.0573407} H1433 2241 0.0 -1 8 {} O 0.0 {0.593521 0.354725 0.106336} O360 2242 0.0 -1 6 {} C 0.0 {0.615632 0.345527 0.150409} C360 2243 0.0 -1 1 {} H 0.0 {0.615945 0.372593 0.165263} H1434 2244 0.0 -1 1 {} H 0.0 {0.596454 0.328512 0.164536} H1435 2245 0.0 -1 1 {} H 0.0 {0.644792 0.339361 0.147271} H1436 2246 0.0 -1 1 {} H 0.0 {0.0304873 0.854204 0.522588} H1437 2247 0.0 -1 1 {} H 0.0 {0.568634 0.343767 0.112137} H1438 2248 0.0 -1 1 {} H 0.0 {0.653396 0.404165 0.103626} H1439 2249 0.0 -1 1 {} H 0.0 {0.582864 0.412123 0.194877} H1440 2250 0.0 -1 14 {} Si 0.0 {0.479206 0.512804 0.0701422} Si91 2251 0.0 -1 8 {} O 0.0 {0.529097 0.517073 0.0394467} O361 2252 0.0 -1 6 {} C 0.0 {0.493036 0.509707 0.00581884} C361 2253 0.0 -1 1 {} H 0.0 {0.484082 0.536101 0.991936} H1441 2254 0.0 -1 1 {} H 0.0 {0.507856 0.489945 0.988098} H1442 2255 0.0 -1 1 {} H 0.0 {0.469002 0.490344 0.0103474} H1443 2256 0.0 -1 8 {} O 0.0 {0.491552 0.554432 0.108994} O362 2257 0.0 -1 6 {} C 0.0 {0.470183 0.599215 0.11378} C362 2258 0.0 -1 1 {} H 0.0 {0.469806 0.611746 0.0859751} H1444 2259 0.0 -1 1 {} H 0.0 {0.44407 0.595062 0.125937} H1445 2260 0.0 -1 1 {} H 0.0 {0.484574 0.617054 0.133744} H1446 2261 0.0 -1 8 {} O 0.0 {0.423882 0.520875 0.0980305} O363 2262 0.0 -1 6 {} C 0.0 {0.421424 0.550428 0.0590648} C363 2263 0.0 -1 1 {} H 0.0 {0.408286 0.539124 0.0344022} H1447 2264 0.0 -1 1 {} H 0.0 {0.404633 0.573901 0.0690083} H1448 2265 0.0 -1 1 {} H 0.0 {0.444566 0.567393 0.0503642} H1449 2266 0.0 -1 8 {} O 0.0 {0.482905 0.462182 0.101646} O364 2267 0.0 -1 6 {} C 0.0 {0.443601 0.453078 0.0725267} C364 2268 0.0 -1 1 {} H 0.0 {0.421807 0.471694 0.063616} H1450 2269 0.0 -1 1 {} H 0.0 {0.452265 0.4365 0.0495855} H1451 2270 0.0 -1 1 {} H 0.0 {0.424441 0.439761 0.0936441} H1452 2271 0.0 -1 1 {} H 0.0 {0.827874 0.032516 0.486798} H1453 2272 0.0 -1 1 {} H 0.0 {0.469156 0.471128 0.123545} H1454 2273 0.0 -1 1 {} H 0.0 {0.540809 0.491277 0.0449414} H1455 2274 0.0 -1 1 {} H 0.0 {0.480041 0.543173 0.130223} H1456 2275 0.0 -1 14 {} Si 0.0 {0.605979 0.494873 0.275993} Si92 2276 0.0 -1 8 {} O 0.0 {0.61823 0.531756 0.230594} O365 2277 0.0 -1 6 {} C 0.0 {0.593708 0.559572 0.263716} C365 2278 0.0 -1 1 {} H 0.0 {0.56905 0.568541 0.246581} H1457 2279 0.0 -1 1 {} H 0.0 {0.578952 0.551161 0.288576} H1458 2280 0.0 -1 1 {} H 0.0 {0.615732 0.579721 0.270121} H1459 2281 0.0 -1 8 {} O 0.0 {0.655971 0.470458 0.295663} O366 2282 0.0 -1 6 {} C 0.0 {0.642987 0.498331 0.335521} C366 2283 0.0 -1 1 {} H 0.0 {0.618336 0.513787 0.343526} H1460 2284 0.0 -1 1 {} H 0.0 {0.64381 0.476787 0.357621} H1461 2285 0.0 -1 1 {} H 0.0 {0.663849 0.520163 0.33616} H1462 2286 0.0 -1 8 {} O 0.0 {0.555811 0.464126 0.277424} O367 2287 0.0 -1 6 {} C 0.0 {0.542518 0.498422 0.310407} C367 2288 0.0 -1 1 {} H 0.0 {0.525 0.518852 0.296679} H1463 2289 0.0 -1 1 {} H 0.0 {0.528374 0.483948 0.334004} H1464 2290 0.0 -1 1 {} H 0.0 {0.563934 0.513897 0.32375} H1465 2291 0.0 -1 8 {} O 0.0 {0.611062 0.452474 0.235298} O368 2292 0.0 -1 6 {} C 0.0 {0.649723 0.454909 0.204396} C368 2293 0.0 -1 1 {} H 0.0 {0.648829 0.429371 0.189234} H1466 2294 0.0 -1 1 {} H 0.0 {0.646814 0.478371 0.185522} H1467 2295 0.0 -1 1 {} H 0.0 {0.673439 0.460791 0.22196} H1468 2296 0.0 -1 1 {} H 0.0 {0.866527 0.483964 0.156886} H1469 2297 0.0 -1 1 {} H 0.0 {0.618747 0.43121 0.249616} H1470 2298 0.0 -1 1 {} H 0.0 {0.595921 0.528107 0.213757} H1471 2299 0.0 -1 1 {} H 0.0 {0.646869 0.446257 0.302309} H1472 2300 0.0 -1 14 {} Si 0.0 {0.053202 0.636108 0.63961} Si93 2301 0.0 -1 8 {} O 0.0 {0.0186691 0.607369 0.680522} O369 2302 0.0 -1 6 {} C 0.0 {0.0346857 0.645226 0.708619} C369 2303 0.0 -1 1 {} H 0.0 {0.0605487 0.656656 0.7045} H1473 2304 0.0 -1 1 {} H 0.0 {0.014817 0.668243 0.710431} H1474 2305 0.0 -1 1 {} H 0.0 {0.0386068 0.627744 0.732979} H1475 2306 0.0 -1 8 {} O 0.0 {0.0500837 0.590854 0.602921} O370 2307 0.0 -1 6 {} C 0.0 {0.00120273 0.601779 0.609849} C370 2308 0.0 -1 1 {} H 0.0 {0.989605 0.611577 0.584003} H1476 2309 0.0 -1 1 {} H 0.0 {0.993737 0.571491 0.613631} H1477 2310 0.0 -1 1 {} H 0.0 {0.987214 0.617096 0.632285} H1478 2311 0.0 -1 8 {} O 0.0 {0.0842379 0.675799 0.606703} O371 2312 0.0 -1 6 {} C 0.0 {0.0456579 0.700178 0.626175} C371 2313 0.0 -1 1 {} H 0.0 {0.030574 0.699584 0.654268} H1479 2314 0.0 -1 1 {} H 0.0 {0.0609435 0.725633 0.62888} H1480 2315 0.0 -1 1 {} H 0.0 {0.0236701 0.700912 0.604201} H1481 2316 0.0 -1 8 {} O 0.0 {0.101516 0.613246 0.662244} O372 2317 0.0 -1 6 {} C 0.0 {0.132269 0.59643 0.628051} C372 2318 0.0 -1 1 {} H 0.0 {0.158448 0.589405 0.642351} H1482 2319 0.0 -1 1 {} H 0.0 {0.118128 0.57211 0.617522} H1483 2320 0.0 -1 1 {} H 0.0 {0.138143 0.61887 0.609988} H1484 2321 0.0 -1 1 {} H 0.0 {0.976088 0.81447 0.462488} H1485 2322 0.0 -1 1 {} H 0.0 {0.0952518 0.588379 0.672764} H1486 2323 0.0 -1 1 {} H 0.0 {0.0369609 0.587781 0.687511} H1487 2324 0.0 -1 1 {} H 0.0 {0.049763 0.569003 0.620854} H1488 2325 0.0 -1 14 {} Si 0.0 {0.990848 0.423188 0.592662} Si94 2326 0.0 -1 8 {} O 0.0 {0.942275 0.444162 0.618106} O373 2327 0.0 -1 6 {} C 0.0 {0.953911 0.408914 0.649987} C373 2328 0.0 -1 1 {} H 0.0 {0.974738 0.385417 0.645634} H1489 2329 0.0 -1 1 {} H 0.0 {0.965723 0.421608 0.675359} H1490 2330 0.0 -1 1 {} H 0.0 {0.93116 0.391385 0.656854} H1491 2331 0.0 -1 8 {} O 0.0 {0.959664 0.384085 0.561727} O374 2332 0.0 -1 6 {} C 0.0 {0.00324038 0.360335 0.563233} C374 2333 0.0 -1 1 {} H 0.0 {0.0025458 0.349697 0.533456} H1492 2334 0.0 -1 1 {} H 0.0 {0.0289916 0.372951 0.568086} H1493 2335 0.0 -1 1 {} H 0.0 {0.00325446 0.336932 0.584449} H1494 2336 0.0 -1 8 {} O 0.0 {0.977405 0.460055 0.549079} O375 2337 0.0 -1 6 {} C 0.0 {0.942925 0.454438 0.51488} C375 2338 0.0 -1 1 {} H 0.0 {0.932997 0.480891 0.505852} H1495 2339 0.0 -1 1 {} H 0.0 {0.953925 0.439259 0.491297} H1496 2340 0.0 -1 1 {} H 0.0 {0.920724 0.437273 0.526992} H1497 2341 0.0 -1 8 {} O 0.0 {0.0451724 0.451146 0.590581} O376 2342 0.0 -1 6 {} C 0.0 {0.0514423 0.415263 0.623859} C376 2343 0.0 -1 1 {} H 0.0 {0.0328777 0.395794 0.636227} H1498 2344 0.0 -1 1 {} H 0.0 {0.0744207 0.396571 0.612799} H1499 2345 0.0 -1 1 {} H 0.0 {0.0627601 0.432293 0.646946} H1500 2346 0.0 -1 1 {} H 0.0 {0.963994 0.0799683 0.665571} H1501 2347 0.0 -1 1 {} H 0.0 {0.0411901 0.471866 0.608171} H1502 2348 0.0 -1 1 {} H 0.0 {0.92449 0.430316 0.602202} H1503 2349 0.0 -1 1 {} H 0.0 {0.963461 0.393726 0.536185} H1504 2350 0.0 -1 14 {} Si 0.0 {0.990509 0.837669 0.584534} Si95 2351 0.0 -1 8 {} O 0.0 {0.00370545 0.870899 0.631611} O377 2352 0.0 -1 6 {} C 0.0 {0.980506 0.901981 0.599812} C377 2353 0.0 -1 1 {} H 0.0 {0.951194 0.906244 0.612326} H1505 2354 0.0 -1 1 {} H 0.0 {0.999832 0.925043 0.604904} H1506 2355 0.0 -1 1 {} H 0.0 {0.978624 0.903388 0.569557} H1507 2356 0.0 -1 8 {} O 0.0 {0.966861 0.81546 0.534114} O378 2357 0.0 -1 6 {} C 0.0 {0.925736 0.826591 0.559537} C378 2358 0.0 -1 1 {} H 0.0 {0.915535 0.840178 0.534729} H1508 2359 0.0 -1 1 {} H 0.0 {0.912096 0.800588 0.570711} H1509 2360 0.0 -1 1 {} H 0.0 {0.924092 0.848474 0.579847} H1510 2361 0.0 -1 8 {} O 0.0 {0.0303584 0.863325 0.55111} O379 2362 0.0 -1 6 {} C 0.0 {0.0785413 0.861665 0.561142} C379 2363 0.0 -1 1 {} H 0.0 {0.0928006 0.883825 0.548804} H1511 2364 0.0 -1 1 {} H 0.0 {0.0775235 0.864499 0.590828} H1512 2365 0.0 -1 1 {} H 0.0 {0.090031 0.834778 0.553129} H1513 2366 0.0 -1 8 {} O 0.0 {0.0298888 0.798726 0.608843} O380 2367 0.0 -1 6 {} C 0.0 {0.994999 0.79807 0.643624} C380 2368 0.0 -1 1 {} H 0.0 {0.0102715 0.807495 0.667872} H1514 2369 0.0 -1 1 {} H 0.0 {0.969536 0.810883 0.648868} H1515 2370 0.0 -1 1 {} H 0.0 {0.986609 0.76732 0.641702} H1516 2371 0.0 -1 1 {} H 0.0 {0.681725 0.233488 0.157701} H1517 2372 0.0 -1 1 {} H 0.0 {0.0454216 0.816938 0.619942} H1518 2373 0.0 -1 1 {} H 0.0 {0.028758 0.877919 0.624558} H1519 2374 0.0 -1 1 {} H 0.0 {0.969164 0.837126 0.518766} H1520 2375 0.0 -1 14 {} Si 0.0 {0.693368 0.256135 0.233337} Si96 2376 0.0 -1 8 {} O 0.0 {0.66039 0.297261 0.206277} O381 2377 0.0 -1 6 {} C 0.0 {0.624872 0.263395 0.21186} C381 2378 0.0 -1 1 {} H 0.0 {0.61852 0.249671 0.18461} H1521 2379 0.0 -1 1 {} H 0.0 {0.628349 0.241377 0.232251} H1522 2380 0.0 -1 1 {} H 0.0 {0.600505 0.277928 0.223953} H1523 2381 0.0 -1 8 {} O 0.0 {0.721254 0.26626 0.284887} O382 2382 0.0 -1 6 {} C 0.0 {0.68815 0.232273 0.298018} C382 2383 0.0 -1 1 {} H 0.0 {0.678769 0.207586 0.282478} H1524 2384 0.0 -1 1 {} H 0.0 {0.703957 0.224717 0.322533} H1525 2385 0.0 -1 1 {} H 0.0 {0.663049 0.244132 0.310393} H1526 2386 0.0 -1 8 {} O 0.0 {0.701314 0.225063 0.202538} O383 2387 0.0 -1 6 {} C 0.0 {0.686092 0.179916 0.207057} C383 2388 0.0 -1 1 {} H 0.0 {0.680002 0.17089 0.234888} H1527 2389 0.0 -1 1 {} H 0.0 {0.662459 0.173232 0.190961} H1528 2390 0.0 -1 1 {} H 0.0 {0.709709 0.162906 0.197765} H1529 2391 0.0 -1 8 {} O 0.0 {0.735754 0.293486 0.214845} O384 2392 0.0 -1 6 {} C 0.0 {0.783213 0.292856 0.226652} C384 2393 0.0 -1 1 {} H 0.0 {0.795586 0.268439 0.217295} H1530 2394 0.0 -1 1 {} H 0.0 {0.79952 0.316684 0.216144} H1531 2395 0.0 -1 1 {} H 0.0 {0.782123 0.29453 0.255692} H1532 2396 0.0 -1 1 {} H 0.0 {0.560149 0.220692 0.00772173} H1533 2397 0.0 -1 1 {} H 0.0 {0.73794 0.286954 0.187233} H1534 2398 0.0 -1 1 {} H 0.0 {0.664648 0.292086 0.178792} H1535 2399 0.0 -1 1 {} H 0.0 {0.74248 0.250429 0.2826} H1536 2400 0.0 -1 14 {} Si 0.0 {0.818368 0.502951 0.205795} Si97 2401 0.0 -1 8 {} O 0.0 {0.862019 0.467797 0.22739} O385 2402 0.0 -1 6 {} C 0.0 {0.82992 0.465062 0.264678} C385 2403 0.0 -1 1 {} H 0.0 {0.843662 0.478407 0.287715} H1537 2404 0.0 -1 1 {} H 0.0 {0.802587 0.476168 0.262548} H1538 2405 0.0 -1 1 {} H 0.0 {0.822872 0.436092 0.266328} H1539 2406 0.0 -1 8 {} O 0.0 {0.816662 0.562086 0.204691} O386 2407 0.0 -1 6 {} C 0.0 {0.792142 0.55842 0.246161} C386 2408 0.0 -1 1 {} H 0.0 {0.809502 0.569046 0.267636} H1540 2409 0.0 -1 1 {} H 0.0 {0.767546 0.574675 0.239223} H1541 2410 0.0 -1 1 {} H 0.0 {0.779937 0.53428 0.260543} H1542 2411 0.0 -1 8 {} O 0.0 {0.86279 0.508149 0.166438} O387 2412 0.0 -1 6 {} C 0.0 {0.865186 0.538047 0.127712} C387 2413 0.0 -1 1 {} H 0.0 {0.892991 0.541476 0.117327} H1543 2414 0.0 -1 1 {} H 0.0 {0.845657 0.528503 0.107031} H1544 2415 0.0 -1 1 {} H 0.0 {0.85622 0.562192 0.140523} H1545 2416 0.0 -1 8 {} O 0.0 {0.790372 0.484195 0.177238} O388 2417 0.0 -1 6 {} C 0.0 {0.752876 0.462746 0.199714} C388 2418 0.0 -1 1 {} H 0.0 {0.750986 0.452036 0.226934} H1546 2419 0.0 -1 1 {} H 0.0 {0.727195 0.476756 0.195057} H1547 2420 0.0 -1 1 {} H 0.0 {0.749979 0.438769 0.182307} H1548 2421 0.0 -1 1 {} H 0.0 {0.70561 0.323203 0.304976} H1549 2422 0.0 -1 1 {} H 0.0 {0.814282 0.0204453 0.499966} H1550 2423 0.0 -1 1 {} H 0.0 {0.857618 0.444006 0.214458} H1551 2424 0.0 -1 1 {} H 0.0 {0.794541 0.569736 0.186857} H1552 2425 0.0 -1 14 {} Si 0.0 {0.0192653 0.865661 0.445119} Si98 2426 0.0 -1 8 {} O 0.0 {0.067667 0.865027 0.48376} O389 2427 0.0 -1 6 {} C 0.0 {0.0686724 0.81901 0.465257} C389 2428 0.0 -1 1 {} H 0.0 {0.0554702 0.814694 0.438055} H1553 2429 0.0 -1 1 {} H 0.0 {0.0986038 0.81627 0.457235} H1554 2430 0.0 -1 1 {} H 0.0 {0.0602047 0.797891 0.484698} H1555 2431 0.0 -1 8 {} O 0.0 {0.040202 0.914944 0.413889} O390 2432 0.0 -1 6 {} C 0.0 {0.0423076 0.880769 0.378169} C390 2433 0.0 -1 1 {} H 0.0 {0.0312128 0.851806 0.383715} H1556 2434 0.0 -1 1 {} H 0.0 {0.0225581 0.891935 0.356021} H1557 2435 0.0 -1 1 {} H 0.0 {0.0708059 0.876934 0.369602} H1558 2436 0.0 -1 8 {} O 0.0 {0.990438 0.813416 0.439535} O391 2437 0.0 -1 6 {} C 0.0 {0.957941 0.83656 0.409984} C391 2438 0.0 -1 1 {} H 0.0 {0.957311 0.866887 0.411437} H1559 2439 0.0 -1 1 {} H 0.0 {0.964754 0.824131 0.383042} H1560 2440 0.0 -1 1 {} H 0.0 {0.931474 0.828597 0.422213} H1561 2441 0.0 -1 8 {} O 0.0 {0.971105 0.885855 0.471588} O392 2442 0.0 -1 6 {} C 0.0 {0.000792409 0.922367 0.484695} C392 2443 0.0 -1 1 {} H 0.0 {0.996412 0.947209 0.466972} H1562 2444 0.0 -1 1 {} H 0.0 {0.987292 0.930451 0.512272} H1563 2445 0.0 -1 1 {} H 0.0 {0.028646 0.92079 0.496916} H1564 2446 0.0 -1 1 {} H 0.0 {0.536725 0.287963 0.427147} H1565 2447 0.0 -1 1 {} H 0.0 {0.971324 0.868167 0.495349} H1566 2448 0.0 -1 1 {} H 0.0 {0.0862602 0.876957 0.466409} H1567 2449 0.0 -1 1 {} H 0.0 {0.0659159 0.916485 0.422107} H1568 2450 0.0 -1 14 {} Si 0.0 {0.999169 0.0922623 0.605048} Si99 2451 0.0 -1 8 {} O 0.0 {0.966315 0.0716049 0.560601} O393 2452 0.0 -1 6 {} C 0.0 {0.972377 0.118424 0.546685} C393 2453 0.0 -1 1 {} H 0.0 {0.942643 0.125325 0.539588} H1569 2454 0.0 -1 1 {} H 0.0 {0.975579 0.143064 0.563519} H1570 2455 0.0 -1 1 {} H 0.0 {0.992966 0.123373 0.52495} H1571 2456 0.0 -1 8 {} O 0.0 {0.0566168 0.0823011 0.598229} O394 2457 0.0 -1 6 {} C 0.0 {0.0591873 0.130688 0.602434} C394 2458 0.0 -1 1 {} H 0.0 {0.0364724 0.151503 0.603242} H1572 2459 0.0 -1 1 {} H 0.0 {0.0742037 0.133988 0.627771} H1573 2460 0.0 -1 1 {} H 0.0 {0.0750014 0.140008 0.577923} H1574 2461 0.0 -1 8 {} O 0.0 {0.954235 0.0955634 0.643285} O395 2462 0.0 -1 6 {} C 0.0 {0.978035 0.136896 0.654179} C395 2463 0.0 -1 1 {} H 0.0 {0.973013 0.132651 0.685431} H1575 2464 0.0 -1 1 {} H 0.0 {0.00675322 0.1473 0.652104} H1576 2465 0.0 -1 1 {} H 0.0 {0.960824 0.157912 0.640473} H1577 2466 0.0 -1 8 {} O 0.0 {0.00184619 0.035949 0.620566} O396 2467 0.0 -1 6 {} C 0.0 {0.972126 0.000193889 0.606676} C396 2468 0.0 -1 1 {} H 0.0 {0.969972 0.996911 0.577138} H1578 2469 0.0 -1 1 {} H 0.0 {0.983005 0.973771 0.614452} H1579 2470 0.0 -1 1 {} H 0.0 {0.946978 0.00661138 0.619593} H1580 2471 0.0 -1 1 {} H 0.0 {0.433103 0.0839872 0.375451} H1581 2472 0.0 -1 1 {} H 0.0 {0.998152 0.0342188 0.648807} H1582 2473 0.0 -1 1 {} H 0.0 {0.941415 0.0737721 0.572079} H1583 2474 0.0 -1 1 {} H 0.0 {0.0638356 0.0752716 0.624644} H1584 2475 0.0 -1 14 {} Si 0.0 {0.724543 0.233439 0.101901} Si100 2476 0.0 -1 8 {} O 0.0 {0.732517 0.261754 0.0496454} O397 2477 0.0 -1 6 {} C 0.0 {0.737978 0.213766 0.0380775} C397 2478 0.0 -1 1 {} H 0.0 {0.765873 0.214585 0.0255564} H1585 2479 0.0 -1 1 {} H 0.0 {0.734163 0.187076 0.0540876} H1586 2480 0.0 -1 1 {} H 0.0 {0.715823 0.207531 0.0187024} H1587 2481 0.0 -1 8 {} O 0.0 {0.727478 0.289567 0.120996} O398 2482 0.0 -1 6 {} C 0.0 {0.72265 0.33732 0.117138} C398 2483 0.0 -1 1 {} H 0.0 {0.703155 0.347321 0.137324} H1588 2484 0.0 -1 1 {} H 0.0 {0.750326 0.351436 0.118418} H1589 2485 0.0 -1 1 {} H 0.0 {0.706535 0.341045 0.0923049} H1590 2486 0.0 -1 8 {} O 0.0 {0.671888 0.239973 0.130857} O399 2487 0.0 -1 6 {} C 0.0 {0.668869 0.193827 0.112528} C399 2488 0.0 -1 1 {} H 0.0 {0.690587 0.174774 0.101633} H1591 2489 0.0 -1 1 {} H 0.0 {0.663301 0.180108 0.138408} H1592 2490 0.0 -1 1 {} H 0.0 {0.645753 0.195252 0.0917801} H1593 2491 0.0 -1 8 {} O 0.0 {0.763183 0.227905 0.145782} O400 2492 0.0 -1 6 {} C 0.0 {0.765908 0.181629 0.127067} C400 2493 0.0 -1 1 {} H 0.0 {0.790023 0.180959 0.108014} H1594 2494 0.0 -1 1 {} H 0.0 {0.770129 0.166819 0.154163} H1595 2495 0.0 -1 1 {} H 0.0 {0.742311 0.166671 0.114756} H1596 2496 0.0 -1 1 {} H 0.0 {0.403433 0.2526 0.997493} H1597 2497 0.0 -1 1 {} H 0.0 {0.742848 0.223739 0.166512} H1598 2498 0.0 -1 1 {} H 0.0 {0.757624 0.267497 0.0567614} H1599 2499 0.0 -1 1 {} H 0.0 {0.732025 0.285436 0.148512} H1600 2500 0.0 -1 14 {} Si 0.0 {0.898402 0.366763 0.964876} Si101 2501 0.0 -1 8 {} O 0.0 {0.843986 0.359752 0.947056} O401 2502 0.0 -1 6 {} C 0.0 {0.834362 0.400894 0.972939} C401 2503 0.0 -1 1 {} H 0.0 {0.827735 0.42095 0.950958} H1601 2504 0.0 -1 1 {} H 0.0 {0.8136 0.390813 0.99373} H1602 2505 0.0 -1 1 {} H 0.0 {0.850885 0.418298 0.991228} H1603 2506 0.0 -1 8 {} O 0.0 {0.941822 0.37858 0.924712} O402 2507 0.0 -1 6 {} C 0.0 {0.936657 0.421618 0.948283} C402 2508 0.0 -1 1 {} H 0.0 {0.920768 0.438395 0.928674} H1604 2509 0.0 -1 1 {} H 0.0 {0.921168 0.426957 0.974538} H1605 2510 0.0 -1 1 {} H 0.0 {0.967726 0.428904 0.955765} H1606 2511 0.0 -1 8 {} O 0.0 {0.908221 0.342314 0.000716945} O403 2512 0.0 -1 6 {} C 0.0 {0.91204 0.365309 0.0433596} C403 2513 0.0 -1 1 {} H 0.0 {0.939406 0.37678 0.0490571} H1607 2514 0.0 -1 1 {} H 0.0 {0.891848 0.386432 0.0518682} H1608 2515 0.0 -1 1 {} H 0.0 {0.908943 0.340973 0.0607256} H1609 2516 0.0 -1 8 {} O 0.0 {0.90144 0.313236 0.936735} O404 2517 0.0 -1 6 {} C 0.0 {0.885041 0.298691 0.893702} C404 2518 0.0 -1 1 {} H 0.0 {0.897831 0.315071 0.870758} H1610 2519 0.0 -1 1 {} H 0.0 {0.888201 0.267913 0.888625} H1611 2520 0.0 -1 1 {} H 0.0 {0.857308 0.304579 0.893957} H1612 2521 0.0 -1 1 {} H 0.0 {0.843796 0.352211 0.193348} H1613 2522 0.0 -1 1 {} H 0.0 {0.928234 0.314823 0.93037} H1614 2523 0.0 -1 1 {} H 0.0 {0.836066 0.340145 0.965847} H1615 2524 0.0 -1 1 {} H 0.0 {0.962133 0.368 0.938799} H1616 2525 0.0 -1 14 {} Si 0.0 {0.984085 0.18496 0.256157} Si102 2526 0.0 -1 8 {} O 0.0 {0.0218831 0.218628 0.288143} O405 2527 0.0 -1 6 {} C 0.0 {0.976951 0.238935 0.295666} C405 2528 0.0 -1 1 {} H 0.0 {0.952917 0.24049 0.278953} H1617 2529 0.0 -1 1 {} H 0.0 {0.967738 0.230939 0.322868} H1618 2530 0.0 -1 1 {} H 0.0 {0.986126 0.268526 0.29592} H1619 2531 0.0 -1 8 {} O 0.0 {0.992632 0.132005 0.277054} O406 2532 0.0 -1 6 {} C 0.0 {0.94243 0.13572 0.272476} C406 2533 0.0 -1 1 {} H 0.0 {0.929622 0.13548 0.29923} H1620 2534 0.0 -1 1 {} H 0.0 {0.930709 0.157537 0.255976} H1621 2535 0.0 -1 1 {} H 0.0 {0.93822 0.108554 0.258119} H1622 2536 0.0 -1 8 {} O 0.0 {0.00164277 0.184476 0.215738} O407 2537 0.0 -1 6 {} C 0.0 {0.963427 0.201749 0.190516} C407 2538 0.0 -1 1 {} H 0.0 {0.968548 0.186586 0.163886} H1623 2539 0.0 -1 1 {} H 0.0 {0.935411 0.193642 0.193708} H1624 2540 0.0 -1 1 {} H 0.0 {0.969313 0.231715 0.185822} H1625 2541 0.0 -1 8 {} O 0.0 {0.997946 0.112977 0.193358} O408 2542 0.0 -1 6 {} C 0.0 {0.953781 0.109169 0.175478} C408 2543 0.0 -1 1 {} H 0.0 {0.929423 0.106282 0.193709} H1626 2544 0.0 -1 1 {} H 0.0 {0.947315 0.135496 0.161266} H1627 2545 0.0 -1 1 {} H 0.0 {0.952124 0.0863924 0.155406} H1628 2546 0.0 -1 1 {} H 0.0 {0.856466 0.160666 0.183937} H1629 2547 0.0 -1 1 {} H 0.0 {0.992393 0.142556 0.205072} H1630 2548 0.0 -1 1 {} H 0.0 {0.0309349 0.233258 0.265274} H1631 2549 0.0 -1 1 {} H 0.0 {0.997176 0.116622 0.254737} H1632 2550 0.0 -1 14 {} Si 0.0 {0.138531 0.203233 0.485895} Si103 2551 0.0 -1 8 {} O 0.0 {0.114248 0.237891 0.446375} O409 2552 0.0 -1 6 {} C 0.0 {0.116214 0.195384 0.417645} C409 2553 0.0 -1 1 {} H 0.0 {0.137068 0.19929 0.399115} H1633 2554 0.0 -1 1 {} H 0.0 {0.118623 0.170562 0.433813} H1634 2555 0.0 -1 1 {} H 0.0 {0.0876073 0.196517 0.408206} H1635 2556 0.0 -1 8 {} O 0.0 {0.164905 0.252691 0.50708} O410 2557 0.0 -1 6 {} C 0.0 {0.178286 0.259944 0.553523} C410 2558 0.0 -1 1 {} H 0.0 {0.193836 0.234841 0.560219} H1636 2559 0.0 -1 1 {} H 0.0 {0.195508 0.286855 0.557667} H1637 2560 0.0 -1 1 {} H 0.0 {0.153321 0.261945 0.570167} H1638 2561 0.0 -1 8 {} O 0.0 {0.102258 0.203762 0.533252} O411 2562 0.0 -1 6 {} C 0.0 {0.102242 0.156081 0.520305} C411 2563 0.0 -1 1 {} H 0.0 {0.0732033 0.153808 0.517042} H1639 2564 0.0 -1 1 {} H 0.0 {0.118071 0.139593 0.499894} H1640 2565 0.0 -1 1 {} H 0.0 {0.115183 0.145157 0.545912} H1641 2566 0.0 -1 8 {} O 0.0 {0.187471 0.194046 0.453871} O412 2567 0.0 -1 6 {} C 0.0 {0.198896 0.171127 0.496753} C412 2568 0.0 -1 1 {} H 0.0 {0.192015 0.181276 0.52448} H1642 2569 0.0 -1 1 {} H 0.0 {0.191942 0.141446 0.494808} H1643 2570 0.0 -1 1 {} H 0.0 {0.228723 0.176362 0.499384} H1644 2571 0.0 -1 1 {} H 0.0 {0.996236 0.356619 0.399147} H1645 2572 0.0 -1 1 {} H 0.0 {0.200642 0.219025 0.458647} H1646 2573 0.0 -1 1 {} H 0.0 {0.139309 0.24924 0.438273} H1647 2574 0.0 -1 1 {} H 0.0 {0.145049 0.270481 0.504082} H1648 2575 0.0 -1 14 {} Si 0.0 {0.0625437 0.0879333 0.730961} Si104 2576 0.0 -1 8 {} O 0.0 {0.104305 0.111458 0.767294} O413 2577 0.0 -1 6 {} C 0.0 {0.0837305 0.0787907 0.798786} C413 2578 0.0 -1 1 {} H 0.0 {0.0864922 0.0955662 0.824163} H1649 2579 0.0 -1 1 {} H 0.0 {0.0552989 0.0718313 0.802501} H1650 2580 0.0 -1 1 {} H 0.0 {0.1009 0.0547963 0.803302} H1651 2581 0.0 -1 8 {} O 0.0 {0.0917254 0.0710175 0.68321} O414 2582 0.0 -1 6 {} C 0.0 {0.0777763 0.0273263 0.702221} C414 2583 0.0 -1 1 {} H 0.0 {0.052853 0.0177679 0.719559} H1652 2584 0.0 -1 1 {} H 0.0 {0.0677945 0.0172398 0.675701} H1653 2585 0.0 -1 1 {} H 0.0 {0.100162 0.0115034 0.713662} H1654 2586 0.0 -1 8 {} O 0.0 {0.0143712 0.0619895 0.706441} O415 2587 0.0 -1 6 {} C 0.0 {0.997368 0.0784244 0.748933} C415 2588 0.0 -1 1 {} H 0.0 {0.991828 0.0541513 0.767156} H1655 2589 0.0 -1 1 {} H 0.0 {0.00629669 0.103216 0.76106} H1656 2590 0.0 -1 1 {} H 0.0 {0.969918 0.0878618 0.738372} H1657 2591 0.0 -1 8 {} O 0.0 {0.0506144 0.139985 0.706377} O416 2592 0.0 -1 6 {} C 0.0 {0.0577425 0.184662 0.727455} C416 2593 0.0 -1 1 {} H 0.0 {0.0427 0.203384 0.710335} H1658 2594 0.0 -1 1 {} H 0.0 {0.046045 0.182795 0.755362} H1659 2595 0.0 -1 1 {} H 0.0 {0.0862264 0.192676 0.727718} H1660 2596 0.0 -1 1 {} H 0.0 {0.0874905 0.319929 0.614878} H1661 2597 0.0 -1 1 {} H 0.0 {0.0629465 0.14311 0.681082} H1662 2598 0.0 -1 1 {} H 0.0 {0.0916678 0.133198 0.774911} H1663 2599 0.0 -1 1 {} H 0.0 {0.0724915 0.0696167 0.661145} H1664 2600 0.0 -1 14 {} Si 0.0 {0.109514 0.0958537 0.906089} Si105 2601 0.0 -1 8 {} O 0.0 {0.151643 0.05279 0.905103} O417 2602 0.0 -1 6 {} C 0.0 {0.116654 0.0258193 0.885529} C417 2603 0.0 -1 1 {} H 0.0 {0.0924984 0.0402223 0.87298} H1665 2604 0.0 -1 1 {} H 0.0 {0.130614 0.0142772 0.86047} H1666 2605 0.0 -1 1 {} H 0.0 {0.105461 0.00613115 0.903499} H1667 2606 0.0 -1 8 {} O 0.0 {0.0693196 0.13405 0.884471} O418 2607 0.0 -1 6 {} C 0.0 {0.0429677 0.0983722 0.905988} C418 2608 0.0 -1 1 {} H 0.0 {0.0212462 0.101138 0.884373} H1668 2609 0.0 -1 1 {} H 0.0 {0.0436088 0.0683629 0.899864} H1669 2610 0.0 -1 1 {} H 0.0 {0.0303135 0.105515 0.933325} H1670 2611 0.0 -1 8 {} O 0.0 {0.133034 0.123625 0.952766} O419 2612 0.0 -1 6 {} C 0.0 {0.119004 0.0800884 0.971469} C419 2613 0.0 -1 1 {} H 0.0 {0.108551 0.0549416 0.95677} H1671 2614 0.0 -1 1 {} H 0.0 {0.14339 0.0662686 0.983669} H1672 2615 0.0 -1 1 {} H 0.0 {0.0965112 0.0899737 0.992946} H1673 2616 0.0 -1 8 {} O 0.0 {0.146064 0.110558 0.862064} O420 2617 0.0 -1 6 {} C 0.0 {0.180662 0.145629 0.854767} C420 2618 0.0 -1 1 {} H 0.0 {0.172712 0.172098 0.867274} H1674 2619 0.0 -1 1 {} H 0.0 {0.20569 0.133525 0.868344} H1675 2620 0.0 -1 1 {} H 0.0 {0.182146 0.147221 0.823554} H1676 2621 0.0 -1 1 {} H 0.0 {0.0332436 0.305213 0.879223} H1677 2622 0.0 -1 1 {} H 0.0 {0.125268 0.12314 0.84687} H1678 2623 0.0 -1 1 {} H 0.0 {0.166636 0.0630343 0.884322} H1679 2624 0.0 -1 1 {} H 0.0 {0.0641958 0.153684 0.90241} H1680 2625 0.0 -1 14 {} Si 0.0 {0.911756 0.338884 0.190915} Si106 2626 0.0 -1 8 {} O 0.0 {0.908653 0.363026 0.135961} O421 2627 0.0 -1 6 {} C 0.0 {0.938914 0.394107 0.159979} C421 2628 0.0 -1 1 {} H 0.0 {0.963852 0.386317 0.14528} H1681 2629 0.0 -1 1 {} H 0.0 {0.92599 0.419412 0.149121} H1682 2630 0.0 -1 1 {} H 0.0 {0.944017 0.402047 0.190686} H1683 2631 0.0 -1 8 {} O 0.0 {0.927602 0.320451 0.243789} O422 2632 0.0 -1 6 {} C 0.0 {0.969296 0.307829 0.219691} C422 2633 0.0 -1 1 {} H 0.0 {0.973332 0.30781 0.189006} H1684 2634 0.0 -1 1 {} H 0.0 {0.991128 0.325399 0.232558} H1685 2635 0.0 -1 1 {} H 0.0 {0.972104 0.278744 0.229337} H1686 2636 0.0 -1 8 {} O 0.0 {0.856048 0.337806 0.211591} O423 2637 0.0 -1 6 {} C 0.0 {0.874982 0.376169 0.237091} C423 2638 0.0 -1 1 {} H 0.0 {0.854439 0.396329 0.233687} H1687 2639 0.0 -1 1 {} H 0.0 {0.883919 0.369208 0.266219} H1688 2640 0.0 -1 1 {} H 0.0 {0.895253 0.394664 0.225878} H1689 2641 0.0 -1 8 {} O 0.0 {0.911973 0.288878 0.160618} O424 2642 0.0 -1 6 {} C 0.0 {0.942535 0.267263 0.128765} C424 2643 0.0 -1 1 {} H 0.0 {0.960985 0.247569 0.143249} H1690 2644 0.0 -1 1 {} H 0.0 {0.930134 0.250169 0.107381} H1691 2645 0.0 -1 1 {} H 0.0 {0.95821 0.290036 0.11807} H1692 2646 0.0 -1 1 {} H 0.0 {0.0175897 0.384091 0.230763} H1693 2647 0.0 -1 1 {} H 0.0 {0.892399 0.294939 0.142692} H1694 2648 0.0 -1 1 {} H 0.0 {0.886501 0.37933 0.135194} H1695 2649 0.0 -1 1 {} H 0.0 {0.915366 0.29586 0.240896} H1696 2650 0.0 -1 14 {} Si 0.0 {0.835652 0.199581 0.239746} Si107 2651 0.0 -1 8 {} O 0.0 {0.794318 0.216559 0.277122} O425 2652 0.0 -1 6 {} C 0.0 {0.772461 0.178454 0.253452} C425 2653 0.0 -1 1 {} H 0.0 {0.781739 0.162937 0.230925} H1697 2654 0.0 -1 1 {} H 0.0 {0.768042 0.155814 0.275031} H1698 2655 0.0 -1 1 {} H 0.0 {0.747605 0.190862 0.242376} H1699 2656 0.0 -1 8 {} O 0.0 {0.831936 0.143356 0.256678} O426 2657 0.0 -1 6 {} C 0.0 {0.84603 0.0994393 0.238797} C426 2658 0.0 -1 1 {} H 0.0 {0.874873 0.0889108 0.243288} H1700 2659 0.0 -1 1 {} H 0.0 {0.829927 0.0782019 0.251203} H1701 2660 0.0 -1 1 {} H 0.0 {0.837383 0.100938 0.209716} H1702 2661 0.0 -1 8 {} O 0.0 {0.868527 0.184358 0.189968} O427 2662 0.0 -1 6 {} C 0.0 {0.837212 0.219561 0.174939} C427 2663 0.0 -1 1 {} H 0.0 {0.853107 0.243936 0.171673} H1703 2664 0.0 -1 1 {} H 0.0 {0.827204 0.206927 0.148294} H1704 2665 0.0 -1 1 {} H 0.0 {0.810278 0.227146 0.185788} H1705 2666 0.0 -1 8 {} O 0.0 {0.876356 0.20878 0.280513} O428 2667 0.0 -1 6 {} C 0.0 {0.855278 0.254015 0.283779} C428 2668 0.0 -1 1 {} H 0.0 {0.878876 0.27185 0.279088} H1706 2669 0.0 -1 1 {} H 0.0 {0.83717 0.266895 0.264333} H1707 2670 0.0 -1 1 {} H 0.0 {0.841892 0.253117 0.31061} H1708 2671 0.0 -1 1 {} H 0.0 {0.962624 0.461242 0.32979} H1709 2672 0.0 -1 1 {} H 0.0 {0.864014 0.198194 0.303601} H1710 2673 0.0 -1 1 {} H 0.0 {0.803036 0.201199 0.2971} H1711 2674 0.0 -1 1 {} H 0.0 {0.842591 0.142731 0.282689} H1712 2675 0.0 -1 14 {} Si 0.0 {0.994556 0.307888 0.449354} Si108 2676 0.0 -1 8 {} O 0.0 {0.990773 0.257553 0.483873} O429 2677 0.0 -1 6 {} C 0.0 {0.0375643 0.256681 0.469915} C429 2678 0.0 -1 1 {} H 0.0 {0.0558022 0.261922 0.491392} H1713 2679 0.0 -1 1 {} H 0.0 {0.0392891 0.227059 0.46218} H1714 2680 0.0 -1 1 {} H 0.0 {0.0467803 0.271309 0.445172} H1715 2681 0.0 -1 8 {} O 0.0 {0.987342 0.360281 0.478268} O430 2682 0.0 -1 6 {} C 0.0 {0.0355719 0.366774 0.469398} C430 2683 0.0 -1 1 {} H 0.0 {0.0510925 0.366099 0.496229} H1716 2684 0.0 -1 1 {} H 0.0 {0.0533842 0.354458 0.446178} H1717 2685 0.0 -1 1 {} H 0.0 {0.0340576 0.392893 0.454028} H1718 2686 0.0 -1 8 {} O 0.0 {0.0152953 0.335931 0.401277} O431 2687 0.0 -1 6 {} C 0.0 {0.992194 0.29814 0.378941} C431 2688 0.0 -1 1 {} H 0.0 {0.0116867 0.277492 0.369471} H1719 2689 0.0 -1 1 {} H 0.0 {0.966024 0.284739 0.385161} H1720 2690 0.0 -1 1 {} H 0.0 {0.9839 0.31295 0.354526} H1721 2691 0.0 -1 8 {} O 0.0 {0.937258 0.306672 0.437163} O432 2692 0.0 -1 6 {} C 0.0 {0.922084 0.300521 0.48377} C432 2693 0.0 -1 1 {} H 0.0 {0.941736 0.302076 0.506601} H1722 2694 0.0 -1 1 {} H 0.0 {0.899369 0.323195 0.487333} H1723 2695 0.0 -1 1 {} H 0.0 {0.907624 0.274419 0.483027} H1724 2696 0.0 -1 1 {} H 0.0 {0.170524 0.46366 0.462791} H1725 2697 0.0 -1 1 {} H 0.0 {0.931699 0.333912 0.434859} H1726 2698 0.0 -1 1 {} H 0.0 {0.978591 0.241921 0.463324} H1727 2699 0.0 -1 1 {} H 0.0 {0.978372 0.371596 0.455825} H1728 2700 0.0 -1 14 {} Si 0.0 {0.0393496 0.272816 0.608844} Si109 2701 0.0 -1 8 {} O 0.0 {0.0069739 0.222105 0.605152} O433 2702 0.0 -1 6 {} C 0.0 {0.00133537 0.239323 0.560117} C433 2703 0.0 -1 1 {} H 0.0 {0.0186702 0.220927 0.543523} H1729 2704 0.0 -1 1 {} H 0.0 {0.970605 0.234 0.555053} H1730 2705 0.0 -1 1 {} H 0.0 {0.00767317 0.267513 0.55426} H1731 2706 0.0 -1 8 {} O 0.0 {0.0591271 0.261199 0.662988} O434 2707 0.0 -1 6 {} C 0.0 {0.0755615 0.222337 0.63776} C434 2708 0.0 -1 1 {} H 0.0 {0.10238 0.220526 0.649356} H1732 2709 0.0 -1 1 {} H 0.0 {0.0595978 0.196592 0.642879} H1733 2710 0.0 -1 1 {} H 0.0 {0.0834347 0.221547 0.609987} H1734 2711 0.0 -1 8 {} O 0.0 {0.0656827 0.323227 0.597068} O435 2712 0.0 -1 6 {} C 0.0 {0.0818926 0.296931 0.558208} C435 2713 0.0 -1 1 {} H 0.0 {0.0850283 0.265887 0.557307} H1735 2714 0.0 -1 1 {} H 0.0 {0.0645023 0.305791 0.534858} H1736 2715 0.0 -1 1 {} H 0.0 {0.111579 0.304093 0.558218} H1737 2716 0.0 -1 8 {} O 0.0 {0.994664 0.303655 0.632497} O436 2717 0.0 -1 6 {} C 0.0 {0.946259 0.298604 0.626253} C436 2718 0.0 -1 1 {} H 0.0 {0.931737 0.282022 0.645934} H1738 2719 0.0 -1 1 {} H 0.0 {0.935364 0.32611 0.624624} H1739 2720 0.0 -1 1 {} H 0.0 {0.941476 0.290053 0.598176} H1740 2721 0.0 -1 1 {} H 0.0 {0.0086053 0.286961 0.831335} H1741 2722 0.0 -1 1 {} H 0.0 {0.996796 0.298845 0.659258} H1742 2723 0.0 -1 1 {} H 0.0 {0.983442 0.227993 0.616951} H1743 2724 0.0 -1 1 {} H 0.0 {0.0834046 0.274741 0.665042} H1744 2725 0.0 -1 14 {} Si 0.0 {0.0601001 0.24342 0.894516} Si110 2726 0.0 -1 8 {} O 0.0 {0.0490752 0.204768 0.940392} O437 2727 0.0 -1 6 {} C 0.0 {0.0957911 0.213235 0.949152} C437 2728 0.0 -1 1 {} H 0.0 {0.106075 0.183522 0.952389} H1745 2729 0.0 -1 1 {} H 0.0 {0.115899 0.225744 0.931318} H1746 2730 0.0 -1 1 {} H 0.0 {0.0973747 0.230742 0.974103} H1747 2731 0.0 -1 8 {} O 0.0 {0.0112415 0.225723 0.85985} O438 2732 0.0 -1 6 {} C 0.0 {0.98952 0.230527 0.904037} C438 2733 0.0 -1 1 {} H 0.0 {0.997698 0.249005 0.927922} H1748 2734 0.0 -1 1 {} H 0.0 {0.962963 0.244339 0.901509} H1749 2735 0.0 -1 1 {} H 0.0 {0.98635 0.201271 0.912524} H1750 2736 0.0 -1 8 {} O 0.0 {0.0399455 0.299007 0.90366} O439 2737 0.0 -1 6 {} C 0.0 {0.0891715 0.307998 0.900857} C439 2738 0.0 -1 1 {} H 0.0 {0.114008 0.289746 0.900972} H1751 2739 0.0 -1 1 {} H 0.0 {0.0907726 0.325939 0.875427} H1752 2740 0.0 -1 1 {} H 0.0 {0.0892144 0.321531 0.928212} H1753 2741 0.0 -1 8 {} O 0.0 {0.0843917 0.26073 0.840787} O440 2742 0.0 -1 6 {} C 0.0 {0.0818991 0.212345 0.835008} C440 2743 0.0 -1 1 {} H 0.0 {0.0658256 0.207813 0.808958} H1754 2744 0.0 -1 1 {} H 0.0 {0.112812 0.20196 0.833401} H1755 2745 0.0 -1 1 {} H 0.0 {0.0654449 0.192814 0.851867} H1756 2746 0.0 -1 1 {} H 0.0 {0.130896 0.455942 0.178702} H1757 2747 0.0 -1 1 {} H 0.0 {0.0615245 0.267691 0.832761} H1758 2748 0.0 -1 1 {} H 0.0 {0.0525818 0.182041 0.926103} H1759 2749 0.0 -1 1 {} H 0.0 {0.0063843 0.251527 0.849763} H1760 2750 0.0 -1 14 {} Si 0.0 {0.0514403 0.428609 0.188831} Si111 2751 0.0 -1 8 {} O 0.0 {0.137807 0.430584 0.169693} O441 2752 0.0 -1 6 {} C 0.0 {0.120427 0.406619 0.208695} C441 2753 0.0 -1 1 {} H 0.0 {0.0931549 0.395832 0.21694} H1761 2754 0.0 -1 1 {} H 0.0 {0.13097 0.378221 0.203955} H1762 2755 0.0 -1 1 {} H 0.0 {0.133644 0.418808 0.231665} H1763 2756 0.0 -1 8 {} O 0.0 {0.0268099 0.47475 0.161508} O442 2757 0.0 -1 6 {} C 0.0 {0.062856 0.459692 0.130518} C442 2758 0.0 -1 1 {} H 0.0 {0.0537261 0.44553 0.107709} H1764 2759 0.0 -1 1 {} H 0.0 {0.0780859 0.483942 0.120466} H1765 2760 0.0 -1 1 {} H 0.0 {0.0877462 0.443078 0.13697} H1766 2761 0.0 -1 8 {} O 0.0 {0.00701371 0.394029 0.206558} O443 2762 0.0 -1 6 {} C 0.0 {0.0304158 0.362429 0.176} C443 2763 0.0 -1 1 {} H 0.0 {0.0134777 0.360967 0.15166} H1767 2764 0.0 -1 1 {} H 0.0 {0.0590273 0.355323 0.171977} H1768 2765 0.0 -1 1 {} H 0.0 {0.022468 0.33751 0.192243} H1769 2766 0.0 -1 8 {} O 0.0 {0.069361 0.449045 0.240584} O444 2767 0.0 -1 6 {} C 0.0 {0.0207359 0.457626 0.243519} C444 2768 0.0 -1 1 {} H 0.0 {0.0245695 0.485915 0.255378} H1770 2769 0.0 -1 1 {} H 0.0 {0.00442327 0.459978 0.217575} H1771 2770 0.0 -1 1 {} H 0.0 {0.00772743 0.436807 0.260605} H1772 2771 0.0 -1 1 {} H 0.0 {0.125058 0.489402 0.365619} H1773 2772 0.0 -1 1 {} H 0.0 {0.0769904 0.475707 0.234985} H1774 2773 0.0 -1 1 {} H 0.0 {0.164677 0.432241 0.176905} H1775 2774 0.0 -1 1 {} H 0.0 {0.0380649 0.499077 0.17185} H1776 2775 0.0 -1 14 {} Si 0.0 {0.928658 0.515629 0.305586} Si112 2776 0.0 -1 8 {} O 0.0 {0.952093 0.55871 0.272927} O445 2777 0.0 -1 6 {} C 0.0 {0.910149 0.545554 0.247997} C445 2778 0.0 -1 1 {} H 0.0 {0.92214 0.540263 0.220998} H1777 2779 0.0 -1 1 {} H 0.0 {0.891771 0.520045 0.245827} H1778 2780 0.0 -1 1 {} H 0.0 {0.890394 0.56659 0.249066} H1779 2781 0.0 -1 8 {} O 0.0 {0.89631 0.492872 0.34992} O446 2782 0.0 -1 6 {} C 0.0 {0.867883 0.53094 0.344815} C446 2783 0.0 -1 1 {} H 0.0 {0.865442 0.544845 0.372646} H1780 2784 0.0 -1 1 {} H 0.0 {0.876778 0.555685 0.332862} H1781 2785 0.0 -1 1 {} H 0.0 {0.840473 0.524037 0.333122} H1782 2786 0.0 -1 8 {} O 0.0 {0.964947 0.469173 0.304264} O447 2787 0.0 -1 6 {} C 0.0 {0.924401 0.449407 0.28249} C447 2788 0.0 -1 1 {} H 0.0 {0.931273 0.420446 0.287761} H1783 2789 0.0 -1 1 {} H 0.0 {0.897233 0.451718 0.292671} H1784 2790 0.0 -1 1 {} H 0.0 {0.92609 0.449686 0.252081} H1785 2791 0.0 -1 8 {} O 0.0 {0.962561 0.538591 0.347097} O448 2792 0.0 -1 6 {} C 0.0 {0.968607 0.587167 0.358253} C448 2793 0.0 -1 1 {} H 0.0 {0.97628 0.604272 0.336807} H1786 2794 0.0 -1 1 {} H 0.0 {0.940952 0.595998 0.366271} H1787 2795 0.0 -1 1 {} H 0.0 {0.986768 0.587982 0.383173} H1788 2796 0.0 -1 1 {} H 0.0 {0.071888 0.467882 0.388662} H1789 2797 0.0 -1 1 {} H 0.0 {0.98778 0.53475 0.333883} H1790 2798 0.0 -1 1 {} H 0.0 {0.941927 0.580927 0.285625} H1791 2799 0.0 -1 1 {} H 0.0 {0.91144 0.502081 0.370491} H1792 2800 0.0 -1 14 {} Si 0.0 {0.158051 0.396007 0.484687} Si113 2801 0.0 -1 8 {} O 0.0 {0.149444 0.416002 0.539628} O449 2802 0.0 -1 6 {} C 0.0 {0.103022 0.401499 0.533168} C449 2803 0.0 -1 1 {} H 0.0 {0.0952138 0.375915 0.547214} H1793 2804 0.0 -1 1 {} H 0.0 {0.087328 0.424044 0.547205} H1794 2805 0.0 -1 1 {} H 0.0 {0.0924899 0.397617 0.506493} H1795 2806 0.0 -1 8 {} O 0.0 {0.129304 0.343363 0.490883} O450 2807 0.0 -1 6 {} C 0.0 {0.157035 0.329711 0.453223} C450 2808 0.0 -1 1 {} H 0.0 {0.180123 0.346671 0.441421} H1796 2809 0.0 -1 1 {} H 0.0 {0.174981 0.308552 0.466911} H1797 2810 0.0 -1 1 {} H 0.0 {0.138316 0.317964 0.432194} H1798 2811 0.0 -1 8 {} O 0.0 {0.181108 0.441825 0.450968} O451 2812 0.0 -1 6 {} C 0.0 {0.14144 0.431336 0.424476} C451 2813 0.0 -1 1 {} H 0.0 {0.129982 0.45836 0.417633} H1799 2814 0.0 -1 1 {} H 0.0 {0.14873 0.415507 0.40103} H1800 2815 0.0 -1 1 {} H 0.0 {0.116114 0.41692 0.432865} H1801 2816 0.0 -1 8 {} O 0.0 {0.206299 0.36594 0.502062} O452 2817 0.0 -1 6 {} C 0.0 {0.227643 0.40903 0.511404} C452 2818 0.0 -1 1 {} H 0.0 {0.215927 0.434449 0.524053} H1802 2819 0.0 -1 1 {} H 0.0 {0.244305 0.396064 0.533622} H1803 2820 0.0 -1 1 {} H 0.0 {0.246403 0.42098 0.492014} H1804 2821 0.0 -1 1 {} H 0.0 {0.978697 0.685522 0.524193} H1805 2822 0.0 -1 1 {} H 0.0 {0.201256 0.356648 0.527458} H1806 2823 0.0 -1 1 {} H 0.0 {0.158716 0.392467 0.55454} H1807 2824 0.0 -1 1 {} H 0.0 {0.141174 0.329548 0.510658} H1808 2825 0.0 -1 14 {} Si 0.0 {0.986991 0.307878 0.765064} Si114 2826 0.0 -1 8 {} O 0.0 {0.981303 0.252691 0.742505} O453 2827 0.0 -1 6 {} C 0.0 {0.932801 0.264098 0.747728} C453 2828 0.0 -1 1 {} H 0.0 {0.92354 0.289772 0.760144} H1809 2829 0.0 -1 1 {} H 0.0 {0.923717 0.259342 0.720226} H1810 2830 0.0 -1 1 {} H 0.0 {0.922838 0.241767 0.766059} H1811 2831 0.0 -1 8 {} O 0.0 {0.958999 0.327688 0.712559} O454 2832 0.0 -1 6 {} C 0.0 {0.981799 0.368133 0.727678} C454 2833 0.0 -1 1 {} H 0.0 {0.00367653 0.37614 0.710168} H1812 2834 0.0 -1 1 {} H 0.0 {0.960742 0.390084 0.731668} H1813 2835 0.0 -1 1 {} H 0.0 {0.996642 0.365819 0.754933} H1814 2836 0.0 -1 8 {} O 0.0 {0.0129053 0.311422 0.820235} O455 2837 0.0 -1 6 {} C 0.0 {0.968443 0.32849 0.831486} C455 2838 0.0 -1 1 {} H 0.0 {0.965323 0.313539 0.858249} H1815 2839 0.0 -1 1 {} H 0.0 {0.975163 0.358219 0.836628} H1816 2840 0.0 -1 1 {} H 0.0 {0.940948 0.325994 0.818416} H1817 2841 0.0 -1 8 {} O 0.0 {0.0389903 0.318513 0.735006} O456 2842 0.0 -1 6 {} C 0.0 {0.0559668 0.282727 0.763515} C456 2843 0.0 -1 1 {} H 0.0 {0.074181 0.296846 0.78274} H1818 2844 0.0 -1 1 {} H 0.0 {0.0379373 0.260646 0.775315} H1819 2845 0.0 -1 1 {} H 0.0 {0.0691287 0.2643 0.744011} H1820 2846 0.0 -1 1 {} H 0.0 {0.162743 0.828154 0.539392} H1821 2847 0.0 -1 1 {} H 0.0 {0.0284579 0.304984 0.713324} H1822 2848 0.0 -1 1 {} H 0.0 {0.983414 0.238301 0.7652} H1823 2849 0.0 -1 1 {} H 0.0 {0.977282 0.316948 0.696392} H1824 2850 0.0 -1 14 {} Si 0.0 {0.0838134 0.512434 0.695237} Si115 2851 0.0 -1 8 {} O 0.0 {0.0544547 0.463052 0.704406} O457 2852 0.0 -1 6 {} C 0.0 {0.081696 0.465564 0.745456} C457 2853 0.0 -1 1 {} H 0.0 {0.0632684 0.45023 0.765892} H1825 2854 0.0 -1 1 {} H 0.0 {0.103424 0.445199 0.745801} H1826 2855 0.0 -1 1 {} H 0.0 {0.09019 0.489052 0.763884} H1827 2856 0.0 -1 8 {} O 0.0 {0.0390198 0.520126 0.655697} O458 2857 0.0 -1 6 {} C 0.0 {0.991608 0.514555 0.66894} C458 2858 0.0 -1 1 {} H 0.0 {0.987074 0.486461 0.677254} H1828 2859 0.0 -1 1 {} H 0.0 {0.986135 0.532447 0.692692} H1829 2860 0.0 -1 1 {} H 0.0 {0.976075 0.522834 0.646057} H1830 2861 0.0 -1 8 {} O 0.0 {0.0680261 0.551084 0.709392} O459 2862 0.0 -1 6 {} C 0.0 {0.0892421 0.575087 0.744835} C459 2863 0.0 -1 1 {} H 0.0 {0.115074 0.567922 0.758781} H1831 2864 0.0 -1 1 {} H 0.0 {0.0934315 0.603337 0.733937} H1832 2865 0.0 -1 1 {} H 0.0 {0.0684925 0.577643 0.767185} H1833 2866 0.0 -1 8 {} O 0.0 {0.119401 0.499845 0.646942} O460 2867 0.0 -1 6 {} C 0.0 {0.153603 0.511504 0.680657} C460 2868 0.0 -1 1 {} H 0.0 {0.165981 0.534658 0.665779} H1834 2869 0.0 -1 1 {} H 0.0 {0.145949 0.520927 0.707906} H1835 2870 0.0 -1 1 {} H 0.0 {0.16901 0.486135 0.686232} H1836 2871 0.0 -1 1 {} H 0.0 {0.0734314 0.663733 0.782738} H1837 2872 0.0 -1 1 {} H 0.0 {0.121847 0.472852 0.647699} H1838 2873 0.0 -1 1 {} H 0.0 {0.0318905 0.47671 0.710079} H1839 2874 0.0 -1 1 {} H 0.0 {0.0397068 0.49808 0.63787} H1840 2875 0.0 -1 14 {} Si 0.0 {0.148228 0.551387 0.335656} Si116 2876 0.0 -1 8 {} O 0.0 {0.11335 0.597734 0.33497} O461 2877 0.0 -1 6 {} C 0.0 {0.0907888 0.568968 0.369482} C461 2878 0.0 -1 1 {} H 0.0 {0.0985894 0.58011 0.397315} H1841 2879 0.0 -1 1 {} H 0.0 {0.0622689 0.574517 0.357845} H1842 2880 0.0 -1 1 {} H 0.0 {0.084873 0.539604 0.377761} H1843 2881 0.0 -1 8 {} O 0.0 {0.201296 0.56823 0.353508} O462 2882 0.0 -1 6 {} C 0.0 {0.185673 0.540442 0.392165} C462 2883 0.0 -1 1 {} H 0.0 {0.157645 0.542759 0.406331} H1844 2884 0.0 -1 1 {} H 0.0 {0.19792 0.513783 0.394499} H1845 2885 0.0 -1 1 {} H 0.0 {0.197937 0.558559 0.413201} H1846 2886 0.0 -1 8 {} O 0.0 {0.146556 0.492253 0.348707} O463 2887 0.0 -1 6 {} C 0.0 {0.12125 0.490498 0.307253} C463 2888 0.0 -1 1 {} H 0.0 {0.136601 0.486489 0.281178} H1847 2889 0.0 -1 1 {} H 0.0 {0.103318 0.46655 0.313201} H1848 2890 0.0 -1 1 {} H 0.0 {0.0989622 0.508469 0.300873} H1849 2891 0.0 -1 8 {} O 0.0 {0.162783 0.553477 0.277902} O464 2892 0.0 -1 6 {} C 0.0 {0.191971 0.589517 0.266027} C464 2893 0.0 -1 1 {} H 0.0 {0.190121 0.600248 0.23707} H1850 2894 0.0 -1 1 {} H 0.0 {0.182925 0.610535 0.285583} H1851 2895 0.0 -1 1 {} H 0.0 {0.219837 0.580852 0.270359} H1852 2896 0.0 -1 1 {} H 0.0 {0.881854 0.278289 0.0983929} H1853 2897 0.0 -1 1 {} H 0.0 {0.138496 0.562526 0.265013} H1854 2898 0.0 -1 1 {} H 0.0 {0.0984223 0.589577 0.312381} H1855 2899 0.0 -1 1 {} H 0.0 {0.218989 0.550277 0.342444} H1856 2900 0.0 -1 14 {} Si 0.0 {0.0483268 0.50509 0.443934} Si117 2901 0.0 -1 8 {} O 0.0 {0.018158 0.547711 0.417496} O465 2902 0.0 -1 6 {} C 0.0 {0.988637 0.538133 0.457063} C465 2903 0.0 -1 1 {} H 0.0 {0.964475 0.538619 0.43909} H1857 2904 0.0 -1 1 {} H 0.0 {0.98509 0.513866 0.473116} H1858 2905 0.0 -1 1 {} H 0.0 {0.992685 0.560879 0.476416} H1859 2906 0.0 -1 8 {} O 0.0 {0.0637648 0.450389 0.459141} O466 2907 0.0 -1 6 {} C 0.0 {0.0304722 0.462989 0.495084} C466 2908 0.0 -1 1 {} H 0.0 {0.0145825 0.488611 0.502447} H1860 2909 0.0 -1 1 {} H 0.0 {0.00627383 0.446668 0.488506} H1861 2910 0.0 -1 1 {} H 0.0 {0.0497019 0.456361 0.518214} H1862 2911 0.0 -1 8 {} O 0.0 {0.0485708 0.482701 0.3887} O467 2912 0.0 -1 6 {} C 0.0 {0.0178994 0.449922 0.372652} C467 2913 0.0 -1 1 {} H 0.0 {0.0281837 0.42209 0.381208} H1863 2914 0.0 -1 1 {} H 0.0 {0.990285 0.455844 0.382949} H1864 2915 0.0 -1 1 {} H 0.0 {0.0188981 0.450746 0.342825} H1865 2916 0.0 -1 8 {} O 0.0 {0.102611 0.528501 0.440323} O468 2917 0.0 -1 6 {} C 0.0 {0.0787962 0.565204 0.466244} C468 2918 0.0 -1 1 {} H 0.0 {0.0542711 0.575218 0.479413} H1866 2919 0.0 -1 1 {} H 0.0 {0.100307 0.565874 0.488454} H1867 2920 0.0 -1 1 {} H 0.0 {0.0814426 0.588477 0.44522} H1868 2921 0.0 -1 1 {} H 0.0 {0.929886 0.611748 0.305305} H1869 2922 0.0 -1 1 {} H 0.0 {0.113747 0.514622 0.461594} H1870 2923 0.0 -1 1 {} H 0.0 {0.00704951 0.532401 0.398386} H1871 2924 0.0 -1 1 {} H 0.0 {0.0856142 0.459504 0.473872} H1872 2925 0.0 -1 14 {} Si 0.0 {0.0460525 0.700471 0.514472} Si118 2926 0.0 -1 8 {} O 0.0 {0.0927438 0.725585 0.491052} O469 2927 0.0 -1 6 {} C 0.0 {0.0952982 0.738842 0.539227} C469 2928 0.0 -1 1 {} H 0.0 {0.0818329 0.732989 0.565702} H1873 2929 0.0 -1 1 {} H 0.0 {0.125427 0.729358 0.541007} H1874 2930 0.0 -1 1 {} H 0.0 {0.0871666 0.769539 0.537018} H1875 2931 0.0 -1 8 {} O 0.0 {0.0474403 0.64745 0.49004} O470 2932 0.0 -1 6 {} C 0.0 {0.053583 0.634903 0.537726} C470 2933 0.0 -1 1 {} H 0.0 {0.0820528 0.626275 0.53718} H1876 2934 0.0 -1 1 {} H 0.0 {0.0495071 0.654653 0.560901} H1877 2935 0.0 -1 1 {} H 0.0 {0.0333523 0.613827 0.539945} H1878 2936 0.0 -1 8 {} O 0.0 {0.994647 0.686076 0.545215} O471 2937 0.0 -1 6 {} C 0.0 {0.999095 0.734222 0.551994} C471 2938 0.0 -1 1 {} H 0.0 {0.97462 0.748936 0.541277} H1879 2939 0.0 -1 1 {} H 0.0 {0.00114738 0.738483 0.581129} H1880 2940 0.0 -1 1 {} H 0.0 {0.0209944 0.752116 0.540226} H1881 2941 0.0 -1 8 {} O 0.0 {0.00360808 0.722414 0.477142} O472 2942 0.0 -1 6 {} C 0.0 {0.957578 0.729866 0.46079} C472 2943 0.0 -1 1 {} H 0.0 {0.954519 0.705966 0.439715} H1882 2944 0.0 -1 1 {} H 0.0 {0.940182 0.727665 0.483817} H1883 2945 0.0 -1 1 {} H 0.0 {0.955062 0.757122 0.447026} H1884 2946 0.0 -1 1 {} H 0.0 {0.0339543 0.15724 0.40678} H1885 2947 0.0 -1 1 {} H 0.0 {0.0116321 0.747383 0.475387} H1886 2948 0.0 -1 1 {} H 0.0 {0.112351 0.704662 0.493114} H1887 2949 0.0 -1 1 {} H 0.0 {0.0194769 0.645769 0.486762} H1888 2950 0.0 -1 14 {} Si 0.0 {0.191137 0.7626 0.548037} Si119 2951 0.0 -1 8 {} O 0.0 {0.249018 0.747545 0.558308} O473 2952 0.0 -1 6 {} C 0.0 {0.248221 0.794838 0.571266} C473 2953 0.0 -1 1 {} H 0.0 {0.225862 0.813099 0.563678} H1889 2954 0.0 -1 1 {} H 0.0 {0.248371 0.796193 0.600363} H1890 2955 0.0 -1 1 {} H 0.0 {0.273 0.807106 0.55702} H1891 2956 0.0 -1 8 {} O 0.0 {0.181417 0.705731 0.532196} O474 2957 0.0 -1 6 {} C 0.0 {0.187336 0.700179 0.581464} C474 2958 0.0 -1 1 {} H 0.0 {0.165039 0.684886 0.593616} H1892 2959 0.0 -1 1 {} H 0.0 {0.213405 0.686886 0.583323} H1893 2960 0.0 -1 1 {} H 0.0 {0.190604 0.726085 0.599435} H1894 2961 0.0 -1 8 {} O 0.0 {0.148147 0.804439 0.548147} O475 2962 0.0 -1 6 {} C 0.0 {0.15668 0.802957 0.597019} C475 2963 0.0 -1 1 {} H 0.0 {0.184002 0.794717 0.609492} H1895 2964 0.0 -1 1 {} H 0.0 {0.154286 0.832936 0.600632} H1896 2965 0.0 -1 1 {} H 0.0 {0.13537 0.785118 0.60965} H1897 2966 0.0 -1 8 {} O 0.0 {0.208002 0.776154 0.491174} O476 2967 0.0 -1 6 {} C 0.0 {0.164803 0.765504 0.471437} C476 2968 0.0 -1 1 {} H 0.0 {0.149977 0.790479 0.470956} H1898 2969 0.0 -1 1 {} H 0.0 {0.169006 0.755934 0.442803} H1899 2970 0.0 -1 1 {} H 0.0 {0.148093 0.744659 0.484543} H1900 2971 0.0 -1 1 {} H 0.0 {0.857291 0.262885 0.385832} H1901 2972 0.0 -1 1 {} H 0.0 {0.220543 0.754471 0.485923} H1902 2973 0.0 -1 1 {} H 0.0 {0.260814 0.750102 0.534058} H1903 2974 0.0 -1 1 {} H 0.0 {0.205124 0.693547 0.525369} H1904 2975 0.0 -1 14 {} Si 0.0 {0.0634817 0.673488 0.849372} Si120 2976 0.0 -1 8 {} O 0.0 {0.113195 0.701654 0.829442} O477 2977 0.0 -1 6 {} C 0.0 {0.117745 0.747087 0.846175} C477 2978 0.0 -1 1 {} H 0.0 {0.109175 0.747439 0.874644} H1905 2979 0.0 -1 1 {} H 0.0 {0.148078 0.753305 0.845821} H1906 2980 0.0 -1 1 {} H 0.0 {0.101961 0.767865 0.82908} H1907 2981 0.0 -1 8 {} O 0.0 {0.0226228 0.717611 0.845184} O478 2982 0.0 -1 6 {} C 0.0 {0.997778 0.679345 0.825292} C478 2983 0.0 -1 1 {} H 0.0 {0.00437362 0.649338 0.830835} H1908 2984 0.0 -1 1 {} H 0.0 {0.969384 0.680111 0.837439} H1909 2985 0.0 -1 1 {} H 0.0 {0.994885 0.682037 0.796012} H1910 2986 0.0 -1 8 {} O 0.0 {0.0548171 0.648485 0.797677} O479 2987 0.0 -1 6 {} C 0.0 {0.0847264 0.615701 0.819952} C479 2988 0.0 -1 1 {} H 0.0 {0.105311 0.612435 0.79905} H1911 2989 0.0 -1 1 {} H 0.0 {0.107351 0.620709 0.841456} H1912 2990 0.0 -1 1 {} H 0.0 {0.0703922 0.590438 0.82876} H1913 2991 0.0 -1 8 {} O 0.0 {0.0802462 0.689591 0.903215} O480 2992 0.0 -1 6 {} C 0.0 {0.0516404 0.650351 0.913112} C480 2993 0.0 -1 1 {} H 0.0 {0.0453991 0.62683 0.896551} H1914 2994 0.0 -1 1 {} H 0.0 {0.0688303 0.636503 0.934841} H1915 2995 0.0 -1 1 {} H 0.0 {0.0267439 0.661116 0.925396} H1916 2996 0.0 -1 1 {} H 0.0 {0.215143 0.761989 0.686431} H1917 2997 0.0 -1 1 {} H 0.0 {0.104265 0.677472 0.905879} H1918 2998 0.0 -1 1 {} H 0.0 {0.131405 0.688903 0.847545} H1919 2999 0.0 -1 1 {} H 0.0 {0.0116191 0.717509 0.868981} H1920 3000 0.0 -1 14 {} Si 0.0 {0.875813 0.2445 0.036713} Si121 3001 0.0 -1 8 {} O 0.0 {0.844937 0.28966 0.0234468} O481 3002 0.0 -1 6 {} C 0.0 {0.83183 0.25799 0.986578} C481 3003 0.0 -1 1 {} H 0.0 {0.834981 0.230799 0.974401} H1921 3004 0.0 -1 1 {} H 0.0 {0.800693 0.257104 0.991059} H1922 3005 0.0 -1 1 {} H 0.0 {0.840717 0.272973 0.963395} H1923 3006 0.0 -1 8 {} O 0.0 {0.923451 0.276485 0.0406528} O482 3007 0.0 -1 6 {} C 0.0 {0.938164 0.244887 0.00581537} C482 3008 0.0 -1 1 {} H 0.0 {0.960611 0.229813 0.0200416} H1924 3009 0.0 -1 1 {} H 0.0 {0.921338 0.222951 0.988985} H1925 3010 0.0 -1 1 {} H 0.0 {0.949994 0.266277 0.985236} H1926 3011 0.0 -1 8 {} O 0.0 {0.86467 0.256463 0.0942023} O483 3012 0.0 -1 6 {} C 0.0 {0.823036 0.273023 0.112208} C483 3013 0.0 -1 1 {} H 0.0 {0.802936 0.254231 0.0985955} H1927 3014 0.0 -1 1 {} H 0.0 {0.820007 0.268119 0.141196} H1928 3015 0.0 -1 1 {} H 0.0 {0.818174 0.301751 0.105921} H1929 3016 0.0 -1 8 {} O 0.0 {0.901966 0.188031 0.0436167} O484 3017 0.0 -1 6 {} C 0.0 {0.8577 0.182363 0.0640957} C484 3018 0.0 -1 1 {} H 0.0 {0.838684 0.202922 0.0714005} H1930 3019 0.0 -1 1 {} H 0.0 {0.845531 0.165046 0.0422631} H1931 3020 0.0 -1 1 {} H 0.0 {0.863569 0.168448 0.0912995} H1932 3021 0.0 -1 1 {} H 0.0 {0.0133849 0.117224 0.168639} H1933 3022 0.0 -1 1 {} H 0.0 {0.917079 0.192046 0.0656711} H1934 3023 0.0 -1 1 {} H 0.0 {0.863296 0.30595 0.00796751} H1935 3024 0.0 -1 1 {} H 0.0 {0.916891 0.298568 0.0232357} H1936 3025 0.0 -1 14 {} Si 0.0 {0.954115 0.662713 0.269118} Si122 3026 0.0 -1 8 {} O 0.0 {0.00327754 0.63586 0.272593} O485 3027 0.0 -1 6 {} C 0.0 {0.987809 0.621079 0.226542} C485 3028 0.0 -1 1 {} H 0.0 {0.983429 0.592237 0.233781} H1937 3029 0.0 -1 1 {} H 0.0 {0.963516 0.627523 0.209277} H1938 3030 0.0 -1 1 {} H 0.0 {0.0119667 0.626544 0.209371} H1939 3031 0.0 -1 8 {} O 0.0 {0.974116 0.694759 0.222368} O486 3032 0.0 -1 6 {} C 0.0 {0.939905 0.726552 0.236558} C486 3033 0.0 -1 1 {} H 0.0 {0.956423 0.75094 0.24591} H1940 3034 0.0 -1 1 {} H 0.0 {0.922853 0.72905 0.212812} H1941 3035 0.0 -1 1 {} H 0.0 {0.914478 0.725445 0.256688} H1942 3036 0.0 -1 8 {} O 0.0 {0.919252 0.636893 0.309806} O487 3037 0.0 -1 6 {} C 0.0 {0.889856 0.638113 0.270046} C487 3038 0.0 -1 1 {} H 0.0 {0.873358 0.662489 0.271148} H1943 3039 0.0 -1 1 {} H 0.0 {0.895461 0.63369 0.239959} H1944 3040 0.0 -1 1 {} H 0.0 {0.874747 0.611192 0.27446} H1945 3041 0.0 -1 8 {} O 0.0 {0.973294 0.704009 0.307556} O488 3042 0.0 -1 6 {} C 0.0 {0.0158569 0.708268 0.330689} C488 3043 0.0 -1 1 {} H 0.0 {0.0301551 0.732032 0.320997} H1946 3044 0.0 -1 1 {} H 0.0 {0.013234 0.712083 0.361147} H1947 3045 0.0 -1 1 {} H 0.0 {0.03029 0.683574 0.323846} H1948 3046 0.0 -1 1 {} H 0.0 {0.0418853 0.227754 0.212473} H1949 3047 0.0 -1 1 {} H 0.0 {0.95715 0.699131 0.328205} H1950 3048 0.0 -1 1 {} H 0.0 {0.0198996 0.657834 0.263428} H1951 3049 0.0 -1 1 {} H 0.0 {0.99647 0.708667 0.232944} H1952 3050 0.0 -1 14 {} Si 0.0 {0.981827 0.116131 0.403067} Si123 3051 0.0 -1 8 {} O 0.0 {0.986067 0.118595 0.463228} O489 3052 0.0 -1 6 {} C 0.0 {0.955399 0.156623 0.456287} C489 3053 0.0 -1 1 {} H 0.0 {0.929824 0.149153 0.472734} H1953 3054 0.0 -1 1 {} H 0.0 {0.967527 0.181868 0.468611} H1954 3055 0.0 -1 1 {} H 0.0 {0.947001 0.168359 0.430599} H1955 3056 0.0 -1 8 {} O 0.0 {0.925488 0.100985 0.41098} O490 3057 0.0 -1 6 {} C 0.0 {0.932495 0.091102 0.363347} C490 3058 0.0 -1 1 {} H 0.0 {0.924689 0.0611624 0.363353} H1956 3059 0.0 -1 1 {} H 0.0 {0.91368 0.110905 0.351147} H1957 3060 0.0 -1 1 {} H 0.0 {0.957515 0.0904663 0.347464} H1958 3061 0.0 -1 8 {} O 0.0 {0.032348 0.139946 0.384981} O491 3062 0.0 -1 6 {} C 0.0 {0.997345 0.164599 0.358801} C491 3063 0.0 -1 1 {} H 0.0 {0.00953787 0.159981 0.330242} H1959 3064 0.0 -1 1 {} H 0.0 {0.968032 0.161406 0.356438} H1960 3065 0.0 -1 1 {} H 0.0 {0.000670073 0.19368 0.367635} H1961 3066 0.0 -1 8 {} O 0.0 {0.997952 0.0592143 0.39438} O492 3067 0.0 -1 6 {} C 0.0 {0.990978 0.0204988 0.422739} C492 3068 0.0 -1 1 {} H 0.0 {0.990589 0.0291125 0.452191} H1962 3069 0.0 -1 1 {} H 0.0 {0.964245 0.0101673 0.414181} H1963 3070 0.0 -1 1 {} H 0.0 {0.0133712 0.999688 0.420544} H1964 3071 0.0 -1 1 {} H 0.0 {0.122888 0.203111 0.549254} H1965 3072 0.0 -1 1 {} H 0.0 {0.0266271 0.061035 0.397421} H1966 3073 0.0 -1 1 {} H 0.0 {0.96817 0.100314 0.470491} H1967 3074 0.0 -1 1 {} H 0.0 {0.931747 0.0760402 0.41987} H1968 3075 0.0 -1 14 {} Si 0.0 {0.81285 0.209282 0.395898} Si124 3076 0.0 -1 8 {} O 0.0 {0.765099 0.224766 0.364074} O493 3077 0.0 -1 6 {} C 0.0 {0.756128 0.176454 0.373945} C493 3078 0.0 -1 1 {} H 0.0 {0.745337 0.167573 0.346644} H1969 3079 0.0 -1 1 {} H 0.0 {0.776255 0.153938 0.378948} H1970 3080 0.0 -1 1 {} H 0.0 {0.737563 0.173229 0.397823} H1971 3081 0.0 -1 8 {} O 0.0 {0.831707 0.167184 0.355538} O494 3082 0.0 -1 6 {} C 0.0 {0.860329 0.159524 0.394473} C494 3083 0.0 -1 1 {} H 0.0 {0.853976 0.138865 0.414369} H1972 3084 0.0 -1 1 {} H 0.0 {0.890666 0.156438 0.383409} H1973 3085 0.0 -1 1 {} H 0.0 {0.871379 0.183809 0.409379} H1974 3086 0.0 -1 8 {} O 0.0 {0.85768 0.238786 0.370775} O495 3087 0.0 -1 6 {} C 0.0 {0.906094 0.233214 0.363093} C495 3088 0.0 -1 1 {} H 0.0 {0.915041 0.256095 0.345721} H1975 3089 0.0 -1 1 {} H 0.0 {0.917931 0.234614 0.390628} H1976 3090 0.0 -1 1 {} H 0.0 {0.909647 0.206366 0.35208} H1977 3091 0.0 -1 8 {} O 0.0 {0.811141 0.243881 0.440991} O496 3092 0.0 -1 6 {} C 0.0 {0.81181 0.202157 0.468062} C496 3093 0.0 -1 1 {} H 0.0 {0.84061 0.20085 0.476647} H1978 3094 0.0 -1 1 {} H 0.0 {0.790645 0.205922 0.489079} H1979 3095 0.0 -1 1 {} H 0.0 {0.805375 0.176028 0.455978} H1980 3096 0.0 -1 1 {} H 0.0 {0.00315225 0.079842 0.690324} H1981 3097 0.0 -1 1 {} H 0.0 {0.784416 0.250822 0.443309} H1982 3098 0.0 -1 1 {} H 0.0 {0.775935 0.223003 0.340106} H1983 3099 0.0 -1 1 {} H 0.0 {0.849506 0.182836 0.340609} H1984 3100 0.0 -1 14 {} Si 0.0 {0.281556 0.754818 0.67174} Si125 3101 0.0 -1 8 {} O 0.0 {0.305434 0.790657 0.62925} O497 3102 0.0 -1 6 {} C 0.0 {0.339526 0.787901 0.665943} C497 3103 0.0 -1 1 {} H 0.0 {0.359393 0.764936 0.671969} H1985 3104 0.0 -1 1 {} H 0.0 {0.360911 0.800662 0.648586} H1986 3105 0.0 -1 1 {} H 0.0 {0.336946 0.804347 0.690524} H1987 3106 0.0 -1 8 {} O 0.0 {0.267845 0.7078 0.704517} O498 3107 0.0 -1 6 {} C 0.0 {0.307414 0.723483 0.731082} C498 3108 0.0 -1 1 {} H 0.0 {0.2963 0.715339 0.757402} H1988 3109 0.0 -1 1 {} H 0.0 {0.332053 0.70607 0.726054} H1989 3110 0.0 -1 1 {} H 0.0 {0.31754 0.75101 0.737249} H1990 3111 0.0 -1 8 {} O 0.0 {0.228183 0.772795 0.663853} O499 3112 0.0 -1 6 {} C 0.0 {0.244071 0.815447 0.685375} C499 3113 0.0 -1 1 {} H 0.0 {0.253579 0.836553 0.666501} H1991 3114 0.0 -1 1 {} H 0.0 {0.217036 0.82529 0.692618} H1992 3115 0.0 -1 1 {} H 0.0 {0.259905 0.8182 0.711612} H1993 3116 0.0 -1 8 {} O 0.0 {0.277427 0.710005 0.632598} O500 3117 0.0 -1 6 {} C 0.0 {0.256253 0.665445 0.639429} C500 3118 0.0 -1 1 {} H 0.0 {0.27442 0.647381 0.654216} H1994 3119 0.0 -1 1 {} H 0.0 {0.232193 0.672374 0.655889} H1995 3120 0.0 -1 1 {} H 0.0 {0.251377 0.653952 0.611811} H1996 3121 0.0 -1 1 {} H 0.0 {0.158376 0.119563 0.951103} H1997 3122 0.0 -1 1 {} H 0.0 {0.259183 0.722517 0.614443} H1998 3123 0.0 -1 1 {} H 0.0 {0.314871 0.770404 0.613948} H1999 3124 0.0 -1 1 {} H 0.0 {0.247654 0.718829 0.718595} H2000 3125 0.0 -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} {35 35 35 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{35 0 0} {0 35 0} {0 0 35}} {{0.0285714285714 0 0} {0 0.0285714285714 0} {0 0 0.0285714285714}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 1 0 0 3 2 0 0 4 2 0 0 5 2 0 0 6 0 0 0 7 6 0 0 8 7 0 0 9 7 0 0 10 7 0 0 11 0 0 0 12 11 0 0 13 12 0 0 14 12 0 0 15 12 0 0 16 0 0 0 17 16 0 0 18 17 0 0 19 17 0 0 20 17 0 0 26 25 0 0 27 26 0 0 28 27 0 0 29 27 0 0 30 27 0 0 31 25 0 0 32 31 0 0 33 32 0 0 34 32 0 0 35 32 0 0 36 25 0 0 37 36 0 0 38 37 0 0 39 37 0 0 40 37 0 0 41 25 0 0 42 41 0 0 43 42 0 0 44 42 0 0 45 42 0 0 51 50 0 0 52 51 0 0 53 52 0 0 54 52 0 0 55 52 0 0 56 50 0 0 57 56 0 0 58 57 0 0 59 57 0 0 60 57 0 0 61 50 0 0 62 61 0 0 63 62 0 0 64 62 0 0 65 62 0 0 66 50 0 0 67 66 0 0 68 67 0 0 69 67 0 0 70 67 0 0 76 75 0 0 77 76 0 0 78 77 0 0 79 77 0 0 80 77 0 0 81 75 0 0 82 81 0 0 83 82 0 0 84 82 0 0 85 82 0 0 86 75 0 0 87 86 0 0 88 87 0 0 89 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1309 1307 {0 0 0} 0 1049 1310 1307 {0 0 0} 0 1050 1300 1311 {0 -1 0} 0 1051 1312 1311 {0 -1 0} 0 1052 1313 1312 {0 0 0} 0 1053 1314 1312 {0 0 0} 0 1054 1315 1312 {0 0 0} 0 1055 1300 1316 {0 0 0} 0 1056 1317 1316 {0 0 0} 0 1057 1318 1317 {0 0 0} 0 1058 1319 1317 {0 0 0} 0 1059 1320 1317 {0 0 0} 0 1060 1325 1326 {0 0 0} 0 1061 1327 1326 {0 0 0} 0 1062 1328 1327 {0 0 0} 0 1063 1329 1327 {0 0 0} 0 1064 1330 1327 {0 0 0} 0 1065 1325 1331 {0 0 0} 0 1066 1332 1331 {0 0 0} 0 1067 1333 1332 {0 0 0} 0 1068 1334 1332 {0 0 0} 0 1069 1335 1332 {0 0 0} 0 1070 1325 1336 {0 0 0} 0 1071 1337 1336 {0 0 0} 0 1072 1338 1337 {0 0 0} 0 1073 1339 1337 {0 0 0} 0 1074 1340 1337 {0 0 0} 0 1075 1325 1341 {0 0 0} 0 1076 1342 1341 {0 0 0} 0 1077 1343 1342 {0 0 0} 0 1078 1344 1342 {0 0 0} 0 1079 1345 1342 {0 0 0} 0 1080 1350 1351 {0 0 0} 0 1081 1352 1351 {0 0 0} 0 1082 1353 1352 {0 0 0} 0 1083 1354 1352 {0 0 0} 0 1084 1355 1352 {0 0 0} 0 1085 1350 1356 {0 0 0} 0 1086 1357 1356 {0 0 0} 0 1087 1358 1357 {0 0 0} 0 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0 1448 1809 1807 {0 -1 0} 0 1449 1810 1807 {0 -1 0} 0 1450 1800 1811 {0 -1 0} 0 1451 1812 1811 {0 0 0} 0 1452 1813 1812 {0 0 0} 0 1453 1814 1812 {0 0 0} 0 1454 1815 1812 {0 0 0} 0 1455 1800 1816 {0 0 0} 0 1456 1817 1816 {0 0 0} 0 1457 1818 1817 {0 0 0} 0 1458 1819 1817 {0 0 0} 0 1459 1820 1817 {0 0 0} 0 1460 1825 1826 {0 0 0} 0 1461 1827 1826 {0 0 0} 0 1462 1828 1827 {0 0 0} 0 1463 1829 1827 {0 0 0} 0 1464 1830 1827 {0 0 0} 0 1465 1825 1831 {0 0 0} 0 1466 1832 1831 {0 0 0} 0 1467 1833 1832 {0 0 0} 0 1468 1834 1832 {0 0 0} 0 1469 1835 1832 {0 0 0} 0 1470 1825 1836 {0 0 0} 0 1471 1837 1836 {0 0 0} 0 1472 1838 1837 {0 0 0} 0 1473 1839 1837 {0 0 0} 0 1474 1840 1837 {0 0 0} 0 1475 1825 1841 {0 0 0} 0 1476 1842 1841 {0 0 0} 0 1477 1843 1842 {0 0 0} 0 1478 1844 1842 {0 0 0} 0 1479 1845 1842 {0 0 0} 0 1480 1850 1851 {0 0 0} 0 1481 1852 1851 {0 0 0} 0 1482 1853 1852 {0 0 0} 0 1483 1854 1852 {0 0 0} 0 1484 1855 1852 {0 0 0} 0 1485 1850 1856 {0 0 0} 0 1486 1857 1856 {0 0 0} 0 1487 1858 1857 {0 0 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0} 0 2407 3008 3007 {0 0 0} 0 2408 3009 3007 {0 0 1} 0 2409 3010 3007 {0 0 1} 0 2410 3000 3011 {0 0 0} 0 2411 3012 3011 {0 0 0} 0 2412 3013 3012 {0 0 0} 0 2413 3014 3012 {0 0 0} 0 2414 3015 3012 {0 0 0} 0 2415 3000 3016 {0 0 0} 0 2416 3017 3016 {0 0 0} 0 2417 3018 3017 {0 0 0} 0 2418 3019 3017 {0 0 0} 0 2419 3020 3017 {0 0 0} 0 2420 3025 3026 {1 0 0} 0 2421 3027 3026 {1 0 0} 0 2422 3028 3027 {0 0 0} 0 2423 3029 3027 {0 0 0} 0 2424 3030 3027 {-1 0 0} 0 2425 3025 3031 {0 0 0} 0 2426 3032 3031 {0 0 0} 0 2427 3033 3032 {0 0 0} 0 2428 3034 3032 {0 0 0} 0 2429 3035 3032 {0 0 0} 0 2430 3025 3036 {0 0 0} 0 2431 3037 3036 {0 0 0} 0 2432 3038 3037 {0 0 0} 0 2433 3039 3037 {0 0 0} 0 2434 3040 3037 {0 0 0} 0 2435 3025 3041 {0 0 0} 0 2436 3042 3041 {-1 0 0} 0 2437 3043 3042 {0 0 0} 0 2438 3044 3042 {0 0 0} 0 2439 3045 3042 {0 0 0} 0 2440 3050 3051 {0 0 0} 0 2441 3052 3051 {0 0 0} 0 2442 3053 3052 {0 0 0} 0 2443 3054 3052 {0 0 0} 0 2444 3055 3052 {0 0 0} 0 2445 3050 3056 {0 0 0} 0 2446 3057 3056 {0 0 0} 0 2447 3058 3057 {0 0 0} 0 2448 3059 3057 {0 0 0} 0 2449 3060 3057 {0 0 0} 0 2450 3050 3061 {1 0 0} 0 2451 3062 3061 {1 0 0} 0 2452 3063 3062 {-1 0 0} 0 2453 3064 3062 {0 0 0} 0 2454 3065 3062 {-1 0 0} 0 2455 3050 3066 {0 0 0} 0 2456 3067 3066 {0 0 0} 0 2457 3068 3067 {0 0 0} 0 2458 3069 3067 {0 0 0} 0 2459 3070 3067 {-1 1 0} 0 2460 3075 3076 {0 0 0} 0 2461 3077 3076 {0 0 0} 0 2462 3078 3077 {0 0 0} 0 2463 3079 3077 {0 0 0} 0 2464 3080 3077 {0 0 0} 0 2465 3075 3081 {0 0 0} 0 2466 3082 3081 {0 0 0} 0 2467 3083 3082 {0 0 0} 0 2468 3084 3082 {0 0 0} 0 2469 3085 3082 {0 0 0} 0 2470 3075 3086 {0 0 0} 0 2471 3087 3086 {0 0 0} 0 2472 3088 3087 {0 0 0} 0 2473 3089 3087 {0 0 0} 0 2474 3090 3087 {0 0 0} 0 2475 3075 3091 {0 0 0} 0 2476 3092 3091 {0 0 0} 0 2477 3093 3092 {0 0 0} 0 2478 3094 3092 {0 0 0} 0 2479 3095 3092 {0 0 0} 0 2480 3100 3101 {0 0 0} 0 2481 3102 3101 {0 0 0} 0 2482 3103 3102 {0 0 0} 0 2483 3104 3102 {0 0 0} 0 2484 3105 3102 {0 0 0} 0 2485 3100 3106 {0 0 0} 0 2486 3107 3106 {0 0 0} 0 2487 3108 3107 {0 0 0} 0 2488 3109 3107 {0 0 0} 0 2489 3110 3107 {0 0 0} 0 2490 3100 3111 {0 0 0} 0 2491 3112 3111 {0 0 0} 0 2492 3113 3112 {0 0 0} 0 2493 3114 3112 {0 0 0} 0 2494 3115 3112 {0 0 0} 0 2495 3100 3116 {0 0 0} 0 2496 3117 3116 {0 0 0} 0 2497 3118 3117 {0 0 0} 0 2498 3119 3117 {0 0 0} 0 2499 3120 3117 {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 ? {} {} {} {}}} } } }