job.id 262 job.name {From job 256, 125 X (TMOS + 4*H) NVE 1000ps step=0.2fs} job.description { } job.status finished job.submitted {2024-11-26 00:04:45} job.started {2024-11-26 00:04:45} job.finished {2024-11-26 18:03:14} job.queue 14 job.errormsg {} job.pid 0 job.userid 1 job.priority 5 job.jobserverid 2 data.joboptions {_protocol_type_ JobControl _description_ {} passwd {} _name_ {} nproc 1 priority 5 _protocol_id_ 0 _protocol_pid_ 0 _version_ 1.1 context {} user user} data.script {# # Basic script for running batch jobs # package require logger package require MD::Stage package require MD::TaskManager package require MD.Results package require memory package require MD::Workspace package require jobcontrol package require JobOptions package require base64 package require md5 proc task {args} {} namespace eval ::MD {} logger::setlevel notice set gLog [logger::init MD] ::logger::import -all -prefix "log_" -namespace ::MD MD # # Get the version of the Jobs database in use # set JobDBVersion [join [db "SELECT value FROM info WHERE item ='Version'"]] # If we want to start child jobs, we need a jobcontrol object, on the localhost Jobcontrol::JobcontrolProxy ::jobcontrol # # The workspace # set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'workspace'"] 0]] ::MD::Workspace ::workspace ::workspace fromString $tmp # # Any input files? # set lfiles "" if {[catch { set lfiles [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'input_file'"]] } err_msg]} { error "Failed while getting input files:\n $err_msg" } set linput_files "" foreach elem $lfiles { set fname [file join [pwd] [lindex $elem 0]] set stage_id [lindex $elem 1] set fdata [lindex $elem 2] # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } if {[catch { set fd [open $fname "w"] fconfigure $fd -encoding binary -translation binary puts -nonewline $fd $fdata close $fd } err_msg]} { error "Failed to write Job input file $fname:\n $err_msg" } unset fdata lappend linput_files [list $stage_id $fname] } # # Get info about this job # if {$JobDBVersion < 3.0} { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent 0 } else { set jdata [join [db "SELECT name, queue, userid, priority, jobserverid, parent FROM job WHERE id = $::job::id"]] set ::job::name [lindex $jdata 0] set ::job::queueid [lindex $jdata 1] set ::job::userid [lindex $jdata 2] set ::job::priority [lindex $jdata 3] set ::job::parent [lindex $jdata 5] } set ::job::username "" set ::job::queue "" if {[string is integer -strict $::job::userid]} { # Get the username from the user id if {[catch {set ::job::username [join [db "SELECT name FROM user WHERE id = $::job::userid"]]}]} { set ::job::username [join [db "SELECT name FROM \[user\] WHERE id = $::job::userid"]] } } if {[string is integer -strict $::job::queueid]} { # Get the queue name from the queue id set ::job::queue [join [join [db "SELECT name FROM queue WHERE id = $::job::queueid"]]] } # # Get the nproc option in order to pass it along to subjobs if any # set ::job::nproc 1 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND item = 'joboptions'"] 0]] foreach {opt_name opt_value} $tmp { if {$opt_name == "nproc"} { set ::job::nproc $opt_value } } # # Set up information about the job in the workspace # ::workspace eval namespace eval ::job [list set id $::job::id] ::workspace eval [list set ::job::parent $::job::parent] ::workspace eval [list set ::job::serverId [info hostname]] ::workspace eval [list set ::job::dir [pwd]] ::workspace eval [list set ::job::name [join $::job::name "_"]] ::workspace eval [list set ::job::queueid $::job::queueid] ::workspace eval [list set ::job::queue $::job::queue] ::workspace eval [list set ::job::userid $::job::userid] ::workspace eval [list set ::job::username $::job::username] ::workspace eval [list set ::job::priority $::job::priority] ::workspace eval [list set ::job::nproc $::job::nproc] # Prepare a list of command to execute from the calling job. ::workspace eval [::list set ::subjob_commands ""] # # And forcefield, if required # set ff_local [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_local'"]] if {[::workspace eval {info exists __fffile}]} { package require MD::FF ::MD::FF ::FF ::FF configure -silent 1 catch { if {$ff_local != ""} { # Load a local forcefield set fname [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_file'"]] if {[string range $fname 0 0] == "\{"} { set fname [join $fname] } set fdata [join [db "SELECT value FROM data WHERE job = $::job::id AND item = 'forcefield_content'"]] if {[string range $fdata 0 0] == "\{"} { set fdata [join $fdata] } # See if this is base64 encoded if {![catch {set decode64_data [::base64::decode $fdata]}]} { # Succesfully decoded from base64 set fdata $decode64_data unset decode64_data } set fd [open $fname "w"] puts -nonewline $fd $fdata close $fd ::FF readFF [file join [pwd] $fname] ::FF configure -forcefield $ff_local # Update the workspace for sub-jobs if any ::workspace eval [list set __fffile [::FF fffile]] ::workspace eval [list set __ff $ff_local] } else { # Setup a forcefield from Forcefield.kit set __fffile [::workspace eval {set __fffile}] ::FF readFF $__fffile set __ff [::workspace eval {set __ff}] ::FF configure -forcefield $__ff } set ::FF ::FF set fdata "" # On old JS the ff_file_content might not be available catch {set fdata [::FF ff_file_content]} if {$fdata != ""} { set ffmd5 [::md5::md5 -hex $fdata] unset fdata set cur_ff [::FF cget -forcefield] set cur_file [::FF fffile] puts "\nForcefield set to: $cur_ff\n File: $cur_file \t md5 sum: $ffmd5\n" } } } # # The stages, ignoring everything else like the flowchart # set ok 0 set tmp [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'flowchart'"] 0]] if {[string length $tmp] > 2} { foreach {item data} $tmp { switch $item { "StageHandler" { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } } } else { # No flowchart, but maybe a stagehandler... set data [join [lindex [db "SELECT value FROM data WHERE job = $::job::id AND LOWER(item) = 'stagehandler'"] 0]] if {[string length $data] > 2} { ::MD::Stage::Handler stageHandler -workspace ::workspace stageHandler fromString $data set ok 1 } } unset -nocomplain tmp if {!$ok} { error "Could not find the stage information!" } # # Other tools that we need # ::MD::TaskManager taskmanager if {[file exists Job.xml]} { file delete -force Job.xml } ::MD::Results::Handler Results -file Job.xml # # Finally, do the real work # set stage [stageHandler getInitialStage] $stage configure -workspace ::workspace -workingdirectory [pwd] $stage run 0 # # And save any unsaved results # Results save # # Write down the final workspace if this job was started by another # if {$::job::parent > 0} { set fd [open "final_workspace.txt" "w"] puts $fd [::workspace toString] close $fd } } data.StageHandler {Class ::MD::Stage::Handler Version 1.2 Stages { md-stage-start-1274f4f4-47ac-4682-9888-57c8dac460cb {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-1274f4f4-47ac-4682-9888-57c8dac460cb Options {-description {This flowchart performs a LAMMPS molecular dynamics simulation with an NPT ensemble at 300 K and 0 atm for 100 ps to equilibrate the pressure (or density) of the active structure. Start with a large enough supercell of your material with a forcefield assigned. This flowchart assigns the simulations variables with the Variables stage, and the LAMMPS stage has four sub-stages: Initialize, Minimize, Initialize Velocities, and NPT. The variables are: tstep = 1 fs The timestep for the dynamics. We recommended 1-2 fs for organic, inorganic, and metallic forcefields, while that for reactive forcefields such as COMB3 and ReaxFF should be 0.2 fs. T = 300 K The temperature for the dynamics P = 0 atm The pressure for the dynamics } -summary {Simple molecular dynamics simulation} -stageid 1 -stdout stdout -master .dialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-stage-variables-b1d28aec-1357-4761-95bf-a0e0a3bfcf23 {} ::MD::Stage::Variables { Class ::MD::Stage::Variables Version 1.2 Id md-stage-variables-b1d28aec-1357-4761-95bf-a0e0a3bfcf23 Options {-data {{tstep 0.2 fs} {T 573 K} {P 0 atm}} -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } md-lammps-stage-2d289187-5995-4c63-a61b-8c515be99cac MD::LAMMPS::Batch ::MD::LAMMPS::Stage { Base { Class ::MD::LAMMPS::Stage Version 1.2 Id md-lammps-stage-2d289187-5995-4c63-a61b-8c515be99cac Options {-results ::Results -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,connectedFrom {md-stage-variables-b1d28aec-1357-4761-95bf-a0e0a3bfcf23 out} in,anchor n} myOutput {out,text out out,connectedTo {} out,anchor s} } } Class ::MD::LAMMPS::Stage Version 1.0 StageHandler { Class ::MD::Stage::Handler Version 1.2 Stages { md-lammps-stage-49245be3-b88e-4691-aa1e-9255874f6def MD::LAMMPS::Batch ::MD::LAMMPS::Stage::Initialize { Class ::MD::LAMMPS::Stage::Initialize Version 1.2 Id md-lammps-stage-49245be3-b88e-4691-aa1e-9255874f6def Options {-architecture GPU -useqeqsm 1 -useqeqreax 1 -nonbondcutoff 9.5 -tailcorrections 1 -kspace_line {} -qeqsmtol 1.0e-6 -qeqreaxtol 1.0e-6 -qeqcombfreq 1 -nonbondmethod PPPM -qeqcombtol 0.01 -nonbondprecision 0.00001 -qeqsmiter 100 -nonbondskin 2.0 -qeqcombwrite 0 -qeqsmfreq 1 -qeqreaxfreq 1 -periodicity {3-d periodic} -useqeqcomb 1 -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {in,text in in,anchor n in,connectedFrom {md-stage-start-3137f847-11ef-4923-b0ba-f76c51721b60 out}} myOutput {out,text out out,connectedTo {md-lammps-stage-5a30a76d-2f72-4982-8f8c-dbf1386e799c in} out,anchor s} } } md-lammps-stage-nve-3faf61ce-e291-4e50-934a-3e4891f75a83 MD::LAMMPS::Batch ::MD::LAMMPS::Stage::NVE { Class ::MD::LAMMPS::Stage::NVE Version 1.2 Id md-lammps-stage-nve-3faf61ce-e291-4e50-934a-3e4891f75a83 Options {-trajectorysampling {0 frames} -nativetrajectory 0 -timestep {$tstep} -time {1000 ps} -sampling {10000 samples} -ff ::fF0 -stageid 1 -stdout stdout -master .flowchartDialog0 -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} Arrays { myInput {} myOutput {} } } md-stage-start-3137f847-11ef-4923-b0ba-f76c51721b60 {} ::MD::Stage::Start { Class ::MD::Stage::Start Version 1.2 Id md-stage-start-3137f847-11ef-4923-b0ba-f76c51721b60 Options {-description {Replace this with a description of this flowchart!} -summary {A one-line summary of this flowchart!} -stageid 1 -stdout stdout -master {} -debug 0 -iteration {} -stderr stderr -system {$system} -workingdirectory .} } } Connections { md-lammps-stage-49245be3-b88e-4691-aa1e-9255874f6def,md-lammps-stage-nve-3faf61ce-e291-4e50-934a-3e4891f75a83 1 md-stage-start-3137f847-11ef-4923-b0ba-f76c51721b60,md-lammps-stage-49245be3-b88e-4691-aa1e-9255874f6def 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-rectangle-a1c96ca2-dde0-4e5d-a3e2-b8be9cfcb576 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-a1c96ca2-dde0-4e5d-a3e2-b8be9cfcb576 Options {-height 120 -selected 0 -description {Time: 1000 ps Step: $tstep Sampling: 10000 samples Trajectory: 0 frames} -fill LightBlue -x 110 -width 160 -y 234 -title NVE -stage md-lammps-stage-nve-3faf61ce-e291-4e50-934a-3e4891f75a83} } md-flowchart-oval-0293d785-e102-4d6d-a444-883c4ce7a3ad ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-0293d785-e102-4d6d-a444-883c4ce7a3ad 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-49245be3-b88e-4691-aa1e-9255874f6def} } md-flowchart-circle1-ec76e584-06c0-4b49-84ce-2a38d5edbf52 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-ec76e584-06c0-4b49-84ce-2a38d5edbf52 Options {-height 50 -selected 0 -description {} -fill LightBlue -x 110 -width 50 -y 14 -title Start -stage md-stage-start-3137f847-11ef-4923-b0ba-f76c51721b60} } } Connections { md-flowchart-oval-0293d785-e102-4d6d-a444-883c4ce7a3ad,md-flowchart-rectangle-a1c96ca2-dde0-4e5d-a3e2-b8be9cfcb576 76 md-flowchart-circle1-ec76e584-06c0-4b49-84ce-2a38d5edbf52,md-flowchart-oval-0293d785-e102-4d6d-a444-883c4ce7a3ad 46 } } } } } Connections { md-stage-start-1274f4f4-47ac-4682-9888-57c8dac460cb,md-stage-variables-b1d28aec-1357-4761-95bf-a0e0a3bfcf23 1 md-stage-variables-b1d28aec-1357-4761-95bf-a0e0a3bfcf23,md-lammps-stage-2d289187-5995-4c63-a61b-8c515be99cac 1 } ViewControl-canvas_flowchart { Class ::MDFC::CanvasFlowchart Version 1.2 Background #eff0f1 Steps { md-flowchart-oval-f0113636-86c8-4581-a389-f8916e22279f ::MDFC::CanvasFlowchart::Oval { Class ::MDFC::CanvasFlowchart::Oval Version 1.2 Id md-flowchart-oval-f0113636-86c8-4581-a389-f8916e22279f 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-b1d28aec-1357-4761-95bf-a0e0a3bfcf23} } md-flowchart-circle1-117ef150-c1dc-4141-a0ed-19c15a03a1f5 ::MDFC::CanvasFlowchart::Circle1 { Class ::MDFC::CanvasFlowchart::Circle1 Version 1.2 Id md-flowchart-circle1-117ef150-c1dc-4141-a0ed-19c15a03a1f5 Options {-height 50 -selected 0 -description {} -fill #e6eb7a -x 110 -width 50 -y 14 -title Start -stage md-stage-start-1274f4f4-47ac-4682-9888-57c8dac460cb} } md-flowchart-rectangle-c7b3b766-55e9-417b-afa8-bfe4f5e24321 ::MDFC::CanvasFlowchart::Rectangle { Class ::MDFC::CanvasFlowchart::Rectangle Version 1.2 Id md-flowchart-rectangle-c7b3b766-55e9-417b-afa8-bfe4f5e24321 Options {-height 120 -selected 0 -description {} -fill #e6eb7a -x 107 -width 160 -y 243 -title LAMMPS -stage md-lammps-stage-2d289187-5995-4c63-a61b-8c515be99cac} } } Connections { md-flowchart-circle1-117ef150-c1dc-4141-a0ed-19c15a03a1f5,md-flowchart-oval-f0113636-86c8-4581-a389-f8916e22279f 112 md-flowchart-oval-f0113636-86c8-4581-a389-f8916e22279f,md-flowchart-rectangle-c7b3b766-55e9-417b-afa8-bfe4f5e24321 108 } } } 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 {0.504725 0.74636 0.0443857} Si1 1 0.0 -1 8 {} O 0.0 {0.51697 0.737408 0.0995273} O1 2 0.0 -1 6 {} C 0.0 {0.467806 0.728195 0.100066} C1 3 0.0 -1 1 {} H 0.0 {0.45313 0.716386 0.0768995} H1 4 0.0 -1 1 {} H 0.0 {0.468132 0.704666 0.11907} H2 5 0.0 -1 1 {} H 0.0 {0.451797 0.752336 0.111041} H3 6 0.0 -1 8 {} O 0.0 {0.494309 0.688984 0.036945} O2 7 0.0 -1 6 {} C 0.0 {0.46099 0.710557 0.00518435} C2 8 0.0 -1 1 {} H 0.0 {0.430514 0.717411 0.0154662} H4 9 0.0 -1 1 {} H 0.0 {0.471296 0.733229 0.989135} H5 10 0.0 -1 1 {} H 0.0 {0.456634 0.684127 0.987926} H6 11 0.0 -1 8 {} O 0.0 {0.497495 0.806354 0.0477959} O3 12 0.0 -1 6 {} C 0.0 {0.450557 0.795839 0.0346902} C3 13 0.0 -1 1 {} H 0.0 {0.441024 0.809906 0.059872} H7 14 0.0 -1 1 {} H 0.0 {0.449871 0.809745 0.00821276} H8 15 0.0 -1 1 {} H 0.0 {0.438165 0.769963 0.0311409} H9 16 0.0 -1 8 {} O 0.0 {0.560816 0.737337 0.0325779} O4 17 0.0 -1 6 {} C 0.0 {0.59903 0.725077 0.00526064} C4 18 0.0 -1 1 {} H 0.0 {0.61989 0.74581 0.00903569} H10 19 0.0 -1 1 {} H 0.0 {0.614397 0.698397 0.00869559} H11 20 0.0 -1 1 {} H 0.0 {0.583791 0.72292 0.979365} H12 21 0.0 -1 1 {} H 0.0 {0.681164 0.148442 0.561985} H13 22 0.0 -1 1 {} H 0.0 {0.573977 0.739643 0.0578156} H14 23 0.0 -1 1 {} H 0.0 {0.528729 0.712802 0.100149} H15 24 0.0 -1 1 {} H 0.0 {0.513056 0.680324 0.0164034} H16 25 0.0 -1 14 {} Si 0.0 {0.777941 0.0772263 0.324056} Si2 26 0.0 -1 8 {} O 0.0 {0.790422 0.0642474 0.269749} O5 27 0.0 -1 6 {} C 0.0 {0.800798 0.0193021 0.289113} C5 28 0.0 -1 1 {} H 0.0 {0.777215 0.996775 0.289208} H17 29 0.0 -1 1 {} H 0.0 {0.82164 0.00958372 0.269842} H18 30 0.0 -1 1 {} H 0.0 {0.816559 0.01986 0.314662} H19 31 0.0 -1 8 {} O 0.0 {0.798389 0.132419 0.329139} O6 32 0.0 -1 6 {} C 0.0 {0.773424 0.136086 0.284853} C6 33 0.0 -1 1 {} H 0.0 {0.751793 0.157941 0.287462} H20 34 0.0 -1 1 {} H 0.0 {0.793476 0.141285 0.262167} H21 35 0.0 -1 1 {} H 0.0 {0.754776 0.117733 0.270838} H22 36 0.0 -1 8 {} O 0.0 {0.747493 0.0691579 0.373406} O7 37 0.0 -1 6 {} C 0.0 {0.709627 0.0648587 0.34141} C7 38 0.0 -1 1 {} H 0.0 {0.710871 0.0400326 0.322067} H23 39 0.0 -1 1 {} H 0.0 {0.69153 0.0560047 0.364503} H24 40 0.0 -1 1 {} H 0.0 {0.695827 0.0891788 0.329648} H25 41 0.0 -1 8 {} O 0.0 {0.825338 0.0707232 0.359441} O8 42 0.0 -1 6 {} C 0.0 {0.870368 0.0849052 0.344781} C8 43 0.0 -1 1 {} H 0.0 {0.880081 0.0668278 0.322413} H26 44 0.0 -1 1 {} H 0.0 {0.867921 0.113275 0.332813} H27 45 0.0 -1 1 {} H 0.0 {0.89083 0.0863551 0.367873} H28 46 0.0 -1 1 {} H 0.0 {0.344705 0.525104 0.650289} H29 47 0.0 -1 1 {} H 0.0 {0.089093 0.421335 0.152914} H30 48 0.0 -1 1 {} H 0.0 {0.817492 0.0738428 0.265001} H31 49 0.0 -1 1 {} H 0.0 {0.776827 0.139977 0.345348} H32 50 0.0 -1 14 {} Si 0.0 {0.585817 0.489377 0.469261} Si3 51 0.0 -1 8 {} O 0.0 {0.610251 0.476229 0.41628} O9 52 0.0 -1 6 {} C 0.0 {0.641683 0.453259 0.447469} C9 53 0.0 -1 1 {} H 0.0 {0.668533 0.468987 0.450674} H33 54 0.0 -1 1 {} H 0.0 {0.632966 0.448746 0.477311} H34 55 0.0 -1 1 {} H 0.0 {0.647128 0.426974 0.434758} H35 56 0.0 -1 8 {} O 0.0 {0.532481 0.465596 0.475812} O10 57 0.0 -1 6 {} C 0.0 {0.552849 0.45211 0.518757} C10 58 0.0 -1 1 {} H 0.0 {0.546714 0.47342 0.538196} H36 59 0.0 -1 1 {} H 0.0 {0.539837 0.424421 0.526634} H37 60 0.0 -1 1 {} H 0.0 {0.582045 0.448417 0.529417} H38 61 0.0 -1 8 {} O 0.0 {0.625219 0.531176 0.483582} O11 62 0.0 -1 6 {} C 0.0 {0.616255 0.512867 0.529515} C11 63 0.0 -1 1 {} H 0.0 {0.601372 0.536221 0.54401} H39 64 0.0 -1 1 {} H 0.0 {0.607036 0.487801 0.541098} H40 65 0.0 -1 1 {} H 0.0 {0.645141 0.51313 0.536225} H41 66 0.0 -1 8 {} O 0.0 {0.55796 0.527601 0.436722} O12 67 0.0 -1 6 {} C 0.0 {0.510546 0.526252 0.420976} C12 68 0.0 -1 1 {} H 0.0 {0.493482 0.51347 0.440144} H42 69 0.0 -1 1 {} H 0.0 {0.498868 0.552065 0.411388} H43 70 0.0 -1 1 {} H 0.0 {0.509605 0.50642 0.396716} H44 71 0.0 -1 1 {} H 0.0 {0.360472 0.0749704 0.988125} H45 72 0.0 -1 1 {} H 0.0 {0.55827 0.54801 0.455265} H46 73 0.0 -1 1 {} H 0.0 {0.591105 0.457537 0.410439} H47 74 0.0 -1 1 {} H 0.0 {0.534738 0.444979 0.463219} H48 75 0.0 -1 14 {} Si 0.0 {0.571175 0.0354114 0.316089} Si4 76 0.0 -1 8 {} O 0.0 {0.620731 0.0136667 0.337153} O13 77 0.0 -1 6 {} C 0.0 {0.591187 0.979309 0.356749} C13 78 0.0 -1 1 {} H 0.0 {0.569172 0.960975 0.343215} H49 79 0.0 -1 1 {} H 0.0 {0.615577 0.960241 0.359321} H50 80 0.0 -1 1 {} H 0.0 {0.584258 0.989421 0.383718} H51 81 0.0 -1 8 {} O 0.0 {0.590829 0.0238332 0.263132} O14 82 0.0 -1 6 {} C 0.0 {0.63126 0.999701 0.246276} C14 83 0.0 -1 1 {} H 0.0 {0.653405 0.00890118 0.263819} H52 84 0.0 -1 1 {} H 0.0 {0.626797 0.968709 0.248441} H53 85 0.0 -1 1 {} H 0.0 {0.634264 0.00761133 0.215952} H54 86 0.0 -1 8 {} O 0.0 {0.512225 0.0323998 0.303608} O15 87 0.0 -1 6 {} C 0.0 {0.51383 0.0182931 0.350872} C15 88 0.0 -1 1 {} H 0.0 {0.514526 0.0413811 0.371065} H55 89 0.0 -1 1 {} H 0.0 {0.484697 0.00657024 0.350339} H56 90 0.0 -1 1 {} H 0.0 {0.529878 0.995692 0.363528} H57 91 0.0 -1 8 {} O 0.0 {0.576954 0.0940202 0.309514} O16 92 0.0 -1 6 {} C 0.0 {0.594273 0.0864981 0.355784} C16 93 0.0 -1 1 {} H 0.0 {0.620752 0.102265 0.353988} H58 94 0.0 -1 1 {} H 0.0 {0.574547 0.102452 0.374673} H59 95 0.0 -1 1 {} H 0.0 {0.605583 0.0629726 0.369947} H60 96 0.0 -1 1 {} H 0.0 {0.462723 0.178451 0.0450954} H61 97 0.0 -1 1 {} H 0.0 {0.551868 0.103798 0.317203} H62 98 0.0 -1 1 {} H 0.0 {0.628489 0.00388184 0.312355} H63 99 0.0 -1 1 {} H 0.0 {0.600986 0.0510777 0.26126} H64 100 0.0 -1 14 {} Si 0.0 {0.439559 0.315318 0.480002} Si5 101 0.0 -1 8 {} O 0.0 {0.449119 0.28454 0.527123} O17 102 0.0 -1 6 {} C 0.0 {0.496296 0.281311 0.510392} C17 103 0.0 -1 1 {} H 0.0 {0.513582 0.297323 0.493179} H65 104 0.0 -1 1 {} H 0.0 {0.508211 0.291255 0.536041} H66 105 0.0 -1 1 {} H 0.0 {0.502389 0.25131 0.508689} H67 106 0.0 -1 8 {} O 0.0 {0.392377 0.350478 0.494569} O18 107 0.0 -1 6 {} C 0.0 {0.377122 0.313594 0.52202} C18 108 0.0 -1 1 {} H 0.0 {0.352591 0.301572 0.507879} H68 109 0.0 -1 1 {} H 0.0 {0.391753 0.290051 0.534683} H69 110 0.0 -1 1 {} H 0.0 {0.368123 0.33222 0.546014} H70 111 0.0 -1 8 {} O 0.0 {0.489137 0.352994 0.482132} O19 112 0.0 -1 6 {} C 0.0 {0.455566 0.379526 0.459361} C19 113 0.0 -1 1 {} H 0.0 {0.433246 0.368157 0.441792} H71 114 0.0 -1 1 {} H 0.0 {0.438576 0.400172 0.475682} H72 115 0.0 -1 1 {} H 0.0 {0.471791 0.393185 0.437855} H73 116 0.0 -1 8 {} O 0.0 {0.414513 0.267193 0.45008} O20 117 0.0 -1 6 {} C 0.0 {0.446861 0.283576 0.41559} C20 118 0.0 -1 1 {} H 0.0 {0.468798 0.262346 0.415622} H74 119 0.0 -1 1 {} H 0.0 {0.427856 0.28495 0.391687} H75 120 0.0 -1 1 {} H 0.0 {0.460861 0.310288 0.414461} H76 121 0.0 -1 1 {} H 0.0 {0.603651 0.939478 0.204164} H77 122 0.0 -1 1 {} H 0.0 {0.390394 0.277421 0.440182} H78 123 0.0 -1 1 {} H 0.0 {0.440666 0.259082 0.522357} H79 124 0.0 -1 1 {} H 0.0 {0.403273 0.368314 0.512051} H80 125 0.0 -1 14 {} Si 0.0 {0.73367 0.120671 0.587318} Si6 126 0.0 -1 8 {} O 0.0 {0.763895 0.156257 0.550863} O21 127 0.0 -1 6 {} C 0.0 {0.80217 0.132259 0.572863} C21 128 0.0 -1 1 {} H 0.0 {0.797839 0.115948 0.597692} H81 129 0.0 -1 1 {} H 0.0 {0.814999 0.114031 0.551424} H82 130 0.0 -1 1 {} H 0.0 {0.817205 0.157731 0.577824} H83 131 0.0 -1 8 {} O 0.0 {0.700541 0.164398 0.614921} O22 132 0.0 -1 6 {} C 0.0 {0.718244 0.140975 0.655341} C22 133 0.0 -1 1 {} H 0.0 {0.728364 0.166749 0.669205} H84 134 0.0 -1 1 {} H 0.0 {0.695667 0.12541 0.669437} H85 135 0.0 -1 1 {} H 0.0 {0.74498 0.125614 0.662387} H86 136 0.0 -1 8 {} O 0.0 {0.693817 0.125811 0.548183} O23 137 0.0 -1 6 {} C 0.0 {0.667852 0.119044 0.505559} C23 138 0.0 -1 1 {} H 0.0 {0.677519 0.141464 0.488627} H87 139 0.0 -1 1 {} H 0.0 {0.673717 0.090466 0.497458} H88 140 0.0 -1 1 {} H 0.0 {0.638976 0.121269 0.509023} H89 141 0.0 -1 8 {} O 0.0 {0.744938 0.0673962 0.565278} O24 142 0.0 -1 6 {} C 0.0 {0.740881 0.0584237 0.614912} C24 143 0.0 -1 1 {} H 0.0 {0.765315 0.0632627 0.632008} H90 144 0.0 -1 1 {} H 0.0 {0.721166 0.0686707 0.633962} H91 145 0.0 -1 1 {} H 0.0 {0.736788 0.0279973 0.612528} H92 146 0.0 -1 1 {} H 0.0 {0.509211 0.325357 0.334938} H93 147 0.0 -1 1 {} H 0.0 {0.718716 0.062409 0.558083} H94 148 0.0 -1 1 {} H 0.0 {0.760463 0.140356 0.527378} H95 149 0.0 -1 1 {} H 0.0 {0.718923 0.184689 0.613631} H96 150 0.0 -1 14 {} Si 0.0 {0.354221 0.594886 0.650377} Si7 151 0.0 -1 8 {} O 0.0 {0.403754 0.572144 0.675446} O25 152 0.0 -1 6 {} C 0.0 {0.419694 0.526088 0.666688} C25 153 0.0 -1 1 {} H 0.0 {0.403938 0.509238 0.684604} H97 154 0.0 -1 1 {} H 0.0 {0.41637 0.516409 0.636743} H98 155 0.0 -1 1 {} H 0.0 {0.447963 0.528999 0.672258} H99 156 0.0 -1 8 {} O 0.0 {0.384367 0.598104 0.602925} O26 157 0.0 -1 6 {} C 0.0 {0.337218 0.597076 0.584329} C26 158 0.0 -1 1 {} H 0.0 {0.337957 0.618917 0.562138} H100 159 0.0 -1 1 {} H 0.0 {0.3295 0.571275 0.568184} H101 160 0.0 -1 1 {} H 0.0 {0.311137 0.603196 0.594843} H102 161 0.0 -1 8 {} O 0.0 {0.328439 0.541965 0.633685} O27 162 0.0 -1 6 {} C 0.0 {0.293168 0.560462 0.663153} C27 163 0.0 -1 1 {} H 0.0 {0.292912 0.540493 0.685669} H103 164 0.0 -1 1 {} H 0.0 {0.285837 0.585936 0.675934} H104 165 0.0 -1 1 {} H 0.0 {0.270237 0.56001 0.641106} H105 166 0.0 -1 8 {} O 0.0 {0.369102 0.644628 0.679501} O28 167 0.0 -1 6 {} C 0.0 {0.320717 0.651314 0.676111} C28 168 0.0 -1 1 {} H 0.0 {0.297139 0.633874 0.672271} H106 169 0.0 -1 1 {} H 0.0 {0.316381 0.657379 0.707023} H107 170 0.0 -1 1 {} H 0.0 {0.315453 0.674624 0.658714} H108 171 0.0 -1 1 {} H 0.0 {0.227333 0.659047 0.344614} H109 172 0.0 -1 1 {} H 0.0 {0.371123 0.635175 0.704706} H110 173 0.0 -1 1 {} H 0.0 {0.42254 0.5858 0.66216} H111 174 0.0 -1 1 {} H 0.0 {0.126241 0.467262 0.578288} H112 175 0.0 -1 14 {} Si 0.0 {0.318015 0.0465492 0.941063} Si8 176 0.0 -1 8 {} O 0.0 {0.351732 0.08823 0.916978} O29 177 0.0 -1 6 {} C 0.0 {0.357694 0.0517322 0.883992} C29 178 0.0 -1 1 {} H 0.0 {0.338562 0.0290058 0.88096} H113 179 0.0 -1 1 {} H 0.0 {0.351074 0.0667709 0.85637} H114 180 0.0 -1 1 {} H 0.0 {0.385735 0.0423744 0.882567} H115 181 0.0 -1 8 {} O 0.0 {0.283889 0.0216352 0.899137} O30 182 0.0 -1 6 {} C 0.0 {0.285792 0.983686 0.929201} C30 183 0.0 -1 1 {} H 0.0 {0.257158 0.974047 0.924744} H116 184 0.0 -1 1 {} H 0.0 {0.306659 0.962335 0.925012} H117 185 0.0 -1 1 {} H 0.0 {0.283459 0.983436 0.95918} H118 186 0.0 -1 8 {} O 0.0 {0.336067 0.0633525 0.995557} O31 187 0.0 -1 6 {} C 0.0 {0.347624 0.0145002 0.98912} C31 188 0.0 -1 1 {} H 0.0 {0.326337 0.00118744 0.00816317} H119 189 0.0 -1 1 {} H 0.0 {0.353323 0.996166 0.966418} H120 190 0.0 -1 1 {} H 0.0 {0.37608 0.0193242 0.999497} H121 191 0.0 -1 8 {} O 0.0 {0.277171 0.088701 0.951377} O32 192 0.0 -1 6 {} C 0.0 {0.238521 0.114225 0.939474} C32 193 0.0 -1 1 {} H 0.0 {0.222986 0.106006 0.915268} H122 194 0.0 -1 1 {} H 0.0 {0.217589 0.118562 0.963478} H123 195 0.0 -1 1 {} H 0.0 {0.249291 0.140743 0.932334} H124 196 0.0 -1 1 {} H 0.0 {0.452476 0.627218 0.214683} H125 197 0.0 -1 1 {} H 0.0 {0.287977 0.106369 0.971322} H126 198 0.0 -1 1 {} H 0.0 {0.335767 0.102771 0.902679} H127 199 0.0 -1 1 {} H 0.0 {0.262859 0.0339417 0.907308} H128 200 0.0 -1 14 {} Si 0.0 {0.41119 0.157947 0.00616197} Si9 201 0.0 -1 8 {} O 0.0 {0.353586 0.168921 0.00773019} O33 202 0.0 -1 6 {} C 0.0 {0.358793 0.172124 0.957392} C33 203 0.0 -1 1 {} H 0.0 {0.350551 0.19981 0.954029} H129 204 0.0 -1 1 {} H 0.0 {0.384821 0.166065 0.946831} H130 205 0.0 -1 1 {} H 0.0 {0.339769 0.152046 0.942092} H131 206 0.0 -1 8 {} O 0.0 {0.426912 0.101946 0.00142866} O34 207 0.0 -1 6 {} C 0.0 {0.429232 0.11894 0.955194} C34 208 0.0 -1 1 {} H 0.0 {0.413055 0.0957098 0.940893} H132 209 0.0 -1 1 {} H 0.0 {0.417842 0.137432 0.93412} H133 210 0.0 -1 1 {} H 0.0 {0.459687 0.11923 0.948187} H134 211 0.0 -1 8 {} O 0.0 {0.446998 0.196677 0.0312714} O35 212 0.0 -1 6 {} C 0.0 {0.468915 0.196695 0.986077} C35 213 0.0 -1 1 {} H 0.0 {0.488574 0.175055 0.977751} H135 214 0.0 -1 1 {} H 0.0 {0.45626 0.203633 0.959806} H136 215 0.0 -1 1 {} H 0.0 {0.485552 0.220409 0.993227} H137 216 0.0 -1 8 {} O 0.0 {0.398658 0.146038 0.0634901} O36 217 0.0 -1 6 {} C 0.0 {0.366101 0.117293 0.0837198} C36 218 0.0 -1 1 {} H 0.0 {0.369568 0.0872962 0.0814882} H138 219 0.0 -1 1 {} H 0.0 {0.361768 0.122433 0.112481} H139 220 0.0 -1 1 {} H 0.0 {0.340058 0.126683 0.0722789} H140 221 0.0 -1 1 {} H 0.0 {0.75879 0.18222 0.372901} H141 222 0.0 -1 1 {} H 0.0 {0.387723 0.171551 0.0662878} H142 223 0.0 -1 1 {} H 0.0 {0.347154 0.142318 0.0105704} H143 224 0.0 -1 1 {} H 0.0 {0.401311 0.0895404 0.999062} H144 225 0.0 -1 14 {} Si 0.0 {0.608118 0.914701 0.142366} Si10 226 0.0 -1 8 {} O 0.0 {0.555799 0.92288 0.116411} O37 227 0.0 -1 6 {} C 0.0 {0.581244 0.895561 0.083872} C37 228 0.0 -1 1 {} H 0.0 {0.598943 0.914311 0.0701029} H145 229 0.0 -1 1 {} H 0.0 {0.597538 0.869972 0.0869004} H146 230 0.0 -1 1 {} H 0.0 {0.557509 0.886274 0.0678345} H147 231 0.0 -1 8 {} O 0.0 {0.626857 0.970242 0.148963} O38 232 0.0 -1 6 {} C 0.0 {0.6602 0.950503 0.116333} C38 233 0.0 -1 1 {} H 0.0 {0.657349 0.963497 0.0900792} H148 234 0.0 -1 1 {} H 0.0 {0.685261 0.954385 0.134011} H149 235 0.0 -1 1 {} H 0.0 {0.667863 0.922278 0.106339} H150 236 0.0 -1 8 {} O 0.0 {0.586775 0.918745 0.200117} O39 237 0.0 -1 6 {} C 0.0 {0.571155 0.920433 0.246286} C39 238 0.0 -1 1 {} H 0.0 {0.560845 0.948348 0.245593} H151 239 0.0 -1 1 {} H 0.0 {0.548792 0.900076 0.250205} H152 240 0.0 -1 1 {} H 0.0 {0.590113 0.91425 0.268022} H153 241 0.0 -1 8 {} O 0.0 {0.602753 0.854491 0.145612} O40 242 0.0 -1 6 {} C 0.0 {0.643798 0.864152 0.171544} C40 243 0.0 -1 1 {} H 0.0 {0.66214 0.850068 0.152524} H154 244 0.0 -1 1 {} H 0.0 {0.656013 0.888765 0.180338} H155 245 0.0 -1 1 {} H 0.0 {0.639764 0.848855 0.197843} H156 246 0.0 -1 1 {} H 0.0 {0.474746 0.0268591 0.670436} H157 247 0.0 -1 1 {} H 0.0 {0.58439 0.854323 0.164059} H158 248 0.0 -1 1 {} H 0.0 {0.547012 0.903916 0.132628} H159 249 0.0 -1 1 {} H 0.0 {0.609948 0.984464 0.13325} H160 250 0.0 -1 14 {} Si 0.0 {0.5464 0.379287 0.350677} Si11 251 0.0 -1 8 {} O 0.0 {0.568074 0.42311 0.314279} O41 252 0.0 -1 6 {} C 0.0 {0.545206 0.449202 0.348892} C41 253 0.0 -1 1 {} H 0.0 {0.533404 0.436947 0.37683} H161 254 0.0 -1 1 {} H 0.0 {0.563241 0.468978 0.362134} H162 255 0.0 -1 1 {} H 0.0 {0.521872 0.463908 0.334297} H163 256 0.0 -1 8 {} O 0.0 {0.593129 0.370808 0.38756} O42 257 0.0 -1 6 {} C 0.0 {0.556381 0.370145 0.418957} C42 258 0.0 -1 1 {} H 0.0 {0.527497 0.365695 0.413108} H164 259 0.0 -1 1 {} H 0.0 {0.560385 0.346902 0.437513} H165 260 0.0 -1 1 {} H 0.0 {0.557415 0.397828 0.435124} H166 261 0.0 -1 8 {} O 0.0 {0.50902 0.333281 0.361123} O43 262 0.0 -1 6 {} C 0.0 {0.481947 0.374204 0.352852} C43 263 0.0 -1 1 {} H 0.0 {0.473635 0.371191 0.324401} H167 264 0.0 -1 1 {} H 0.0 {0.465728 0.363684 0.377685} H168 265 0.0 -1 1 {} H 0.0 {0.468496 0.400821 0.35307} H169 266 0.0 -1 8 {} O 0.0 {0.572181 0.343956 0.311402} O44 267 0.0 -1 6 {} C 0.0 {0.553498 0.315797 0.276706} C44 268 0.0 -1 1 {} H 0.0 {0.539475 0.328979 0.256154} H170 269 0.0 -1 1 {} H 0.0 {0.574408 0.299444 0.264977} H171 270 0.0 -1 1 {} H 0.0 {0.53473 0.298805 0.290417} H172 271 0.0 -1 1 {} H 0.0 {0.198602 0.236573 0.801434} H173 272 0.0 -1 1 {} H 0.0 {0.59001 0.360245 0.292004} H174 273 0.0 -1 1 {} H 0.0 {0.592808 0.429906 0.319108} H175 274 0.0 -1 1 {} H 0.0 {0.595042 0.34457 0.384101} H176 275 0.0 -1 14 {} Si 0.0 {0.283724 0.634362 0.320248} Si12 276 0.0 -1 8 {} O 0.0 {0.30122 0.580195 0.339314} O45 277 0.0 -1 6 {} C 0.0 {0.285937 0.60319 0.379764} C45 278 0.0 -1 1 {} H 0.0 {0.306823 0.609023 0.398596} H177 279 0.0 -1 1 {} H 0.0 {0.269204 0.62812 0.385177} H178 280 0.0 -1 1 {} H 0.0 {0.266345 0.583674 0.389127} H179 281 0.0 -1 8 {} O 0.0 {0.242607 0.621987 0.277588} O46 282 0.0 -1 6 {} C 0.0 {0.273137 0.587856 0.261153} C46 283 0.0 -1 1 {} H 0.0 {0.2683 0.586395 0.232473} H180 284 0.0 -1 1 {} H 0.0 {0.300841 0.596857 0.257406} H181 285 0.0 -1 1 {} H 0.0 {0.274236 0.561277 0.275435} H182 286 0.0 -1 8 {} O 0.0 {0.249918 0.672198 0.343651} O47 287 0.0 -1 6 {} C 0.0 {0.233356 0.718054 0.338594} C47 288 0.0 -1 1 {} H 0.0 {0.210955 0.720098 0.315429} H183 289 0.0 -1 1 {} H 0.0 {0.218445 0.724578 0.364845} H184 290 0.0 -1 1 {} H 0.0 {0.259306 0.733753 0.332412} H185 291 0.0 -1 8 {} O 0.0 {0.316143 0.657563 0.304267} O48 292 0.0 -1 6 {} C 0.0 {0.335726 0.69488 0.326398} C48 293 0.0 -1 1 {} H 0.0 {0.358702 0.684232 0.34257} H186 294 0.0 -1 1 {} H 0.0 {0.344814 0.711161 0.30321} H187 295 0.0 -1 1 {} H 0.0 {0.318019 0.713718 0.345465} H188 296 0.0 -1 1 {} H 0.0 {0.624401 0.208898 0.129936} H189 297 0.0 -1 1 {} H 0.0 {0.202688 0.555179 0.687801} H190 298 0.0 -1 1 {} H 0.0 {0.329889 0.586357 0.335315} H191 299 0.0 -1 1 {} H 0.0 {0.247913 0.641539 0.261477} H192 300 0.0 -1 14 {} Si 0.0 {0.487375 0.565865 0.20797} Si13 301 0.0 -1 8 {} O 0.0 {0.48015 0.575105 0.154771} O49 302 0.0 -1 6 {} C 0.0 {0.520672 0.548324 0.145828} C49 303 0.0 -1 1 {} H 0.0 {0.540906 0.567853 0.134816} H193 304 0.0 -1 1 {} H 0.0 {0.537353 0.534612 0.167752} H194 305 0.0 -1 1 {} H 0.0 {0.513094 0.528453 0.125474} H195 306 0.0 -1 8 {} O 0.0 {0.534154 0.538584 0.234228} O50 307 0.0 -1 6 {} C 0.0 {0.551745 0.585642 0.240752} C50 308 0.0 -1 1 {} H 0.0 {0.547715 0.611795 0.224505} H196 309 0.0 -1 1 {} H 0.0 {0.546724 0.590121 0.269061} H197 310 0.0 -1 1 {} H 0.0 {0.579261 0.578516 0.236437} H198 311 0.0 -1 8 {} O 0.0 {0.475428 0.620372 0.226584} O51 312 0.0 -1 6 {} C 0.0 {0.49328 0.665939 0.227333} C51 313 0.0 -1 1 {} H 0.0 {0.488118 0.678746 0.200736} H199 314 0.0 -1 1 {} H 0.0 {0.482308 0.682709 0.248126} H200 315 0.0 -1 1 {} H 0.0 {0.523826 0.664106 0.232922} H201 316 0.0 -1 8 {} O 0.0 {0.435619 0.550009 0.228981} O52 317 0.0 -1 6 {} C 0.0 {0.455732 0.504383 0.222226} C52 318 0.0 -1 1 {} H 0.0 {0.444693 0.492884 0.248561} H202 319 0.0 -1 1 {} H 0.0 {0.434024 0.496336 0.203291} H203 320 0.0 -1 1 {} H 0.0 {0.480938 0.489275 0.218328} H204 321 0.0 -1 1 {} H 0.0 {0.694473 0.859135 0.291732} H205 322 0.0 -1 1 {} H 0.0 {0.421145 0.553393 0.20614} H206 323 0.0 -1 1 {} H 0.0 {0.459457 0.557644 0.14609} H207 324 0.0 -1 1 {} H 0.0 {0.523838 0.536859 0.258934} H208 325 0.0 -1 14 {} Si 0.0 {0.76571 0.232287 0.417992} Si14 326 0.0 -1 8 {} O 0.0 {0.786012 0.274768 0.452279} O53 327 0.0 -1 6 {} C 0.0 {0.762051 0.245149 0.484879} C53 328 0.0 -1 1 {} H 0.0 {0.745261 0.221096 0.475783} H209 329 0.0 -1 1 {} H 0.0 {0.781111 0.232971 0.503137} H210 330 0.0 -1 1 {} H 0.0 {0.74156 0.263599 0.498108} H211 331 0.0 -1 8 {} O 0.0 {0.811729 0.234893 0.380371} O54 332 0.0 -1 6 {} C 0.0 {0.833094 0.19835 0.357652} C54 333 0.0 -1 1 {} H 0.0 {0.837047 0.17492 0.376986} H212 334 0.0 -1 1 {} H 0.0 {0.810907 0.192111 0.337415} H213 335 0.0 -1 1 {} H 0.0 {0.860378 0.201322 0.344318} H214 336 0.0 -1 8 {} O 0.0 {0.744093 0.18244 0.392474} O55 337 0.0 -1 6 {} C 0.0 {0.773823 0.161366 0.426553} C55 338 0.0 -1 1 {} H 0.0 {0.754788 0.152145 0.448106} H215 339 0.0 -1 1 {} H 0.0 {0.783827 0.140255 0.405066} H216 340 0.0 -1 1 {} H 0.0 {0.798012 0.165222 0.444172} H217 341 0.0 -1 8 {} O 0.0 {0.729639 0.264432 0.384664} O56 342 0.0 -1 6 {} C 0.0 {0.697474 0.243352 0.415829} C56 343 0.0 -1 1 {} H 0.0 {0.673029 0.251256 0.40143} H218 344 0.0 -1 1 {} H 0.0 {0.692781 0.211796 0.414885} H219 345 0.0 -1 1 {} H 0.0 {0.697443 0.256106 0.442491} H220 346 0.0 -1 1 {} H 0.0 {0.732828 0.738187 0.577749} H221 347 0.0 -1 1 {} H 0.0 {0.726262 0.245088 0.365704} H222 348 0.0 -1 1 {} H 0.0 {0.811171 0.265167 0.454031} H223 349 0.0 -1 1 {} H 0.0 {0.806252 0.251482 0.359064} H224 350 0.0 -1 14 {} Si 0.0 {0.447249 0.0313145 0.734747} Si15 351 0.0 -1 8 {} O 0.0 {0.430784 0.033797 0.790801} O57 352 0.0 -1 6 {} C 0.0 {0.424643 0.0820561 0.779317} C57 353 0.0 -1 1 {} H 0.0 {0.437624 0.101328 0.799093} H225 354 0.0 -1 1 {} H 0.0 {0.425464 0.0969981 0.753431} H226 355 0.0 -1 1 {} H 0.0 {0.395561 0.0874496 0.781106} H227 356 0.0 -1 8 {} O 0.0 {0.39074 0.0250797 0.718391} O58 357 0.0 -1 6 {} C 0.0 {0.3795 0.0130545 0.670753} C58 358 0.0 -1 1 {} H 0.0 {0.352008 0.00983837 0.662766} H228 359 0.0 -1 1 {} H 0.0 {0.394565 0.0304415 0.650326} H229 360 0.0 -1 1 {} H 0.0 {0.389691 0.983868 0.669419} H230 361 0.0 -1 8 {} O 0.0 {0.458304 0.0463974 0.679962} O59 362 0.0 -1 6 {} C 0.0 {0.494339 0.0719744 0.706073} C59 363 0.0 -1 1 {} H 0.0 {0.492209 0.0967684 0.690634} H231 364 0.0 -1 1 {} H 0.0 {0.49113 0.0855143 0.734092} H232 365 0.0 -1 1 {} H 0.0 {0.519692 0.0576863 0.70299} H233 366 0.0 -1 8 {} O 0.0 {0.464914 0.976496 0.740884} O60 367 0.0 -1 6 {} C 0.0 {0.503066 0.994769 0.767497} C60 368 0.0 -1 1 {} H 0.0 {0.508379 0.0230419 0.771996} H234 369 0.0 -1 1 {} H 0.0 {0.502619 0.981299 0.795428} H235 370 0.0 -1 1 {} H 0.0 {0.524046 0.985197 0.746986} H236 371 0.0 -1 1 {} H 0.0 {0.48947 0.493083 0.819962} H237 372 0.0 -1 1 {} H 0.0 {0.449044 0.972554 0.762725} H238 373 0.0 -1 1 {} H 0.0 {0.45648 0.0362695 0.800682} H239 374 0.0 -1 1 {} H 0.0 {0.377357 0.00459917 0.731697} H240 375 0.0 -1 14 {} Si 0.0 {0.161884 0.289762 0.808061} Si16 376 0.0 -1 8 {} O 0.0 {0.195603 0.315362 0.850933} O61 377 0.0 -1 6 {} C 0.0 {0.220089 0.329859 0.889981} C61 378 0.0 -1 1 {} H 0.0 {0.232148 0.305249 0.905752} H241 379 0.0 -1 1 {} H 0.0 {0.242224 0.348072 0.884174} H242 380 0.0 -1 1 {} H 0.0 {0.20069 0.34317 0.906638} H243 381 0.0 -1 8 {} O 0.0 {0.165415 0.333908 0.766678} O62 382 0.0 -1 6 {} C 0.0 {0.143648 0.357851 0.80307} C62 383 0.0 -1 1 {} H 0.0 {0.128036 0.377623 0.78469} H244 384 0.0 -1 1 {} H 0.0 {0.124191 0.347766 0.819985} H245 385 0.0 -1 1 {} H 0.0 {0.16217 0.3736 0.819422} H246 386 0.0 -1 8 {} O 0.0 {0.20816 0.258474 0.791709} O63 387 0.0 -1 6 {} C 0.0 {0.183016 0.264366 0.74775} C63 388 0.0 -1 1 {} H 0.0 {0.199862 0.282698 0.731984} H247 389 0.0 -1 1 {} H 0.0 {0.185283 0.232179 0.744418} H248 390 0.0 -1 1 {} H 0.0 {0.153775 0.270239 0.735086} H249 391 0.0 -1 8 {} O 0.0 {0.14043 0.243268 0.837391} O64 392 0.0 -1 6 {} C 0.0 {0.0986034 0.266568 0.828216} C64 393 0.0 -1 1 {} H 0.0 {0.0854966 0.266311 0.803074} H250 394 0.0 -1 1 {} H 0.0 {0.0818002 0.251565 0.852165} H251 395 0.0 -1 1 {} H 0.0 {0.094445 0.294739 0.840079} H252 396 0.0 -1 1 {} H 0.0 {0.0509854 0.32338 0.514709} H253 397 0.0 -1 1 {} H 0.0 {0.137277 0.220479 0.81861} H254 398 0.0 -1 1 {} H 0.0 {0.209106 0.331681 0.834244} H255 399 0.0 -1 1 {} H 0.0 {0.143003 0.325731 0.751712} H256 400 0.0 -1 14 {} Si 0.0 {0.616188 0.224657 0.0640576} Si17 401 0.0 -1 8 {} O 0.0 {0.613752 0.260184 0.016477} O65 402 0.0 -1 6 {} C 0.0 {0.617872 0.291684 0.0577451} C65 403 0.0 -1 1 {} H 0.0 {0.615186 0.284567 0.0843147} H257 404 0.0 -1 1 {} H 0.0 {0.642386 0.308823 0.0515525} H258 405 0.0 -1 1 {} H 0.0 {0.592239 0.305841 0.0497415} H259 406 0.0 -1 8 {} O 0.0 {0.654131 0.186004 0.0408437} O66 407 0.0 -1 6 {} C 0.0 {0.679523 0.202636 0.0814985} C66 408 0.0 -1 1 {} H 0.0 {0.704899 0.191182 0.0697843} H260 409 0.0 -1 1 {} H 0.0 {0.685509 0.232905 0.091382} H261 410 0.0 -1 1 {} H 0.0 {0.672614 0.184173 0.106409} H262 411 0.0 -1 8 {} O 0.0 {0.625163 0.233865 0.124413} O67 412 0.0 -1 6 {} C 0.0 {0.608326 0.24992 0.167353} C67 413 0.0 -1 1 {} H 0.0 {0.611327 0.226144 0.188242} H263 414 0.0 -1 1 {} H 0.0 {0.627596 0.269632 0.179848} H264 415 0.0 -1 1 {} H 0.0 {0.581197 0.261325 0.162701} H265 416 0.0 -1 8 {} O 0.0 {0.569584 0.196616 0.0555693} O68 417 0.0 -1 6 {} C 0.0 {0.562751 0.197202 0.105731} C68 418 0.0 -1 1 {} H 0.0 {0.553622 0.221886 0.119843} H266 419 0.0 -1 1 {} H 0.0 {0.540073 0.176049 0.103235} H267 420 0.0 -1 1 {} H 0.0 {0.585561 0.182897 0.12405} H268 421 0.0 -1 1 {} H 0.0 {0.891406 0.443087 0.271564} H269 422 0.0 -1 1 {} H 0.0 {0.573503 0.168876 0.0533913} H270 423 0.0 -1 1 {} H 0.0 {0.63912 0.257015 0.00800789} H271 424 0.0 -1 1 {} H 0.0 {0.647251 0.160866 0.0490153} H272 425 0.0 -1 14 {} Si 0.0 {0.735775 0.909747 0.272442} Si18 426 0.0 -1 8 {} O 0.0 {0.684444 0.938689 0.269527} O69 427 0.0 -1 6 {} C 0.0 {0.689466 0.919508 0.223708} C69 428 0.0 -1 1 {} H 0.0 {0.659196 0.917271 0.222664} H273 429 0.0 -1 1 {} H 0.0 {0.701641 0.938632 0.204819} H274 430 0.0 -1 1 {} H 0.0 {0.699955 0.891943 0.215829} H275 431 0.0 -1 8 {} O 0.0 {0.733129 0.939495 0.325023} O70 432 0.0 -1 6 {} C 0.0 {0.709186 0.964438 0.359185} C70 433 0.0 -1 1 {} H 0.0 {0.728628 0.970624 0.382298} H276 434 0.0 -1 1 {} H 0.0 {0.700299 0.992462 0.346547} H277 435 0.0 -1 1 {} H 0.0 {0.685559 0.945345 0.369146} H278 436 0.0 -1 8 {} O 0.0 {0.719884 0.862377 0.301259} O71 437 0.0 -1 6 {} C 0.0 {0.743421 0.842779 0.262662} C71 438 0.0 -1 1 {} H 0.0 {0.770277 0.83659 0.273849} H279 439 0.0 -1 1 {} H 0.0 {0.729112 0.815223 0.269811} H280 440 0.0 -1 1 {} H 0.0 {0.749025 0.849417 0.233597} H281 441 0.0 -1 8 {} O 0.0 {0.796256 0.903351 0.274151} O72 442 0.0 -1 6 {} C 0.0 {0.791774 0.925831 0.231762} C72 443 0.0 -1 1 {} H 0.0 {0.80242 0.910365 0.208823} H282 444 0.0 -1 1 {} H 0.0 {0.767094 0.930252 0.216845} H283 445 0.0 -1 1 {} H 0.0 {0.807959 0.955492 0.235073} H284 446 0.0 -1 1 {} H 0.0 {0.484623 0.65076 0.499233} H285 447 0.0 -1 1 {} H 0.0 {0.805932 0.924203 0.291639} H286 448 0.0 -1 1 {} H 0.0 {0.669815 0.919989 0.282637} H287 449 0.0 -1 1 {} H 0.0 {0.744499 0.918228 0.343037} H288 450 0.0 -1 14 {} Si 0.0 {0.787057 0.731543 0.621359} Si19 451 0.0 -1 8 {} O 0.0 {0.837068 0.759126 0.620459} O73 452 0.0 -1 6 {} C 0.0 {0.854224 0.711306 0.617159} C73 453 0.0 -1 1 {} H 0.0 {0.867893 0.705664 0.641146} H289 454 0.0 -1 1 {} H 0.0 {0.833766 0.688951 0.612002} H290 455 0.0 -1 1 {} H 0.0 {0.872481 0.710677 0.591027} H291 456 0.0 -1 8 {} O 0.0 {0.765424 0.781838 0.640517} O74 457 0.0 -1 6 {} C 0.0 {0.762915 0.819847 0.673218} C74 458 0.0 -1 1 {} H 0.0 {0.781106 0.842016 0.659784} H292 459 0.0 -1 1 {} H 0.0 {0.735103 0.829942 0.677723} H293 460 0.0 -1 1 {} H 0.0 {0.773561 0.809535 0.698918} H294 461 0.0 -1 8 {} O 0.0 {0.758218 0.736629 0.569721} O75 462 0.0 -1 6 {} C 0.0 {0.760324 0.687705 0.5724} C75 463 0.0 -1 1 {} H 0.0 {0.781766 0.680775 0.550704} H295 464 0.0 -1 1 {} H 0.0 {0.760101 0.666228 0.592837} H296 465 0.0 -1 1 {} H 0.0 {0.728758 0.687115 0.57097} H297 466 0.0 -1 8 {} O 0.0 {0.786493 0.683534 0.657985} O76 467 0.0 -1 6 {} C 0.0 {0.762289 0.715943 0.686829} C76 468 0.0 -1 1 {} H 0.0 {0.732861 0.712241 0.685672} H298 469 0.0 -1 1 {} H 0.0 {0.771448 0.705125 0.712677} H299 470 0.0 -1 1 {} H 0.0 {0.769658 0.74336 0.683718} H300 471 0.0 -1 1 {} H 0.0 {0.925454 0.38058 0.740556} H301 472 0.0 -1 1 {} H 0.0 {0.774956 0.661622 0.668262} H302 473 0.0 -1 1 {} H 0.0 {0.841625 0.765796 0.593073} H303 474 0.0 -1 1 {} H 0.0 {0.737349 0.77627 0.636737} H304 475 0.0 -1 14 {} Si 0.0 {0.488334 0.541234 0.772455} Si20 476 0.0 -1 8 {} O 0.0 {0.538485 0.572857 0.762565} O77 477 0.0 -1 6 {} C 0.0 {0.518646 0.57629 0.717683} C77 478 0.0 -1 1 {} H 0.0 {0.543613 0.571956 0.701232} H305 479 0.0 -1 1 {} H 0.0 {0.50154 0.557174 0.702157} H306 480 0.0 -1 1 {} H 0.0 {0.50541 0.603095 0.715859} H307 481 0.0 -1 8 {} O 0.0 {0.445239 0.500754 0.761709} O78 482 0.0 -1 6 {} C 0.0 {0.485221 0.476047 0.747472} C78 483 0.0 -1 1 {} H 0.0 {0.477843 0.449571 0.759906} H308 484 0.0 -1 1 {} H 0.0 {0.484438 0.47571 0.718306} H309 485 0.0 -1 1 {} H 0.0 {0.514933 0.479322 0.755311} H310 486 0.0 -1 8 {} O 0.0 {0.512589 0.507091 0.812431} O79 487 0.0 -1 6 {} C 0.0 {0.54847 0.472675 0.821759} C79 488 0.0 -1 1 {} H 0.0 {0.566555 0.475564 0.799911} H311 489 0.0 -1 1 {} H 0.0 {0.560974 0.475857 0.848949} H312 490 0.0 -1 1 {} H 0.0 {0.537274 0.445198 0.822889} H313 491 0.0 -1 8 {} O 0.0 {0.461881 0.569127 0.817123} O80 492 0.0 -1 6 {} C 0.0 {0.428169 0.573708 0.778297} C80 493 0.0 -1 1 {} H 0.0 {0.404778 0.556782 0.790884} H314 494 0.0 -1 1 {} H 0.0 {0.425331 0.60464 0.781748} H315 495 0.0 -1 1 {} H 0.0 {0.433865 0.565995 0.74933} H316 496 0.0 -1 1 {} H 0.0 {0.570539 0.827036 0.262758} H317 497 0.0 -1 1 {} H 0.0 {0.475646 0.591677 0.816825} H318 498 0.0 -1 1 {} H 0.0 {0.561746 0.557587 0.757016} H319 499 0.0 -1 1 {} H 0.0 {0.437697 0.487714 0.784958} H320 500 0.0 -1 14 {} Si 0.0 {0.0482799 0.384898 0.54507} Si21 501 0.0 -1 8 {} O 0.0 {0.9956 0.359688 0.551962} O81 502 0.0 -1 6 {} C 0.0 {0.966297 0.328076 0.528648} C81 503 0.0 -1 1 {} H 0.0 {0.984597 0.303721 0.519647} H321 504 0.0 -1 1 {} H 0.0 {0.942422 0.316877 0.543713} H322 505 0.0 -1 1 {} H 0.0 {0.959158 0.341708 0.502521} H323 506 0.0 -1 8 {} O 0.0 {0.0711411 0.347492 0.585532} O82 507 0.0 -1 6 {} C 0.0 {0.0753245 0.387951 0.609962} C82 508 0.0 -1 1 {} H 0.0 {0.0703711 0.416383 0.601488} H324 509 0.0 -1 1 {} H 0.0 {0.0604599 0.383619 0.634517} H325 510 0.0 -1 1 {} H 0.0 {0.106686 0.393239 0.610988} H326 511 0.0 -1 8 {} O 0.0 {0.0595635 0.347334 0.502451} O83 512 0.0 -1 6 {} C 0.0 {0.10593 0.350346 0.521208} C83 513 0.0 -1 1 {} H 0.0 {0.117738 0.360442 0.54701} H327 514 0.0 -1 1 {} H 0.0 {0.114664 0.322115 0.527171} H328 515 0.0 -1 1 {} H 0.0 {0.120232 0.366354 0.500751} H329 516 0.0 -1 8 {} O 0.0 {0.0211458 0.43229 0.524881} O84 517 0.0 -1 6 {} C 0.0 {0.0633077 0.45242 0.539127} C84 518 0.0 -1 1 {} H 0.0 {0.0668708 0.475143 0.517308} H330 519 0.0 -1 1 {} H 0.0 {0.0593716 0.468555 0.563953} H331 520 0.0 -1 1 {} H 0.0 {0.0930734 0.444802 0.538273} H332 521 0.0 -1 1 {} H 0.0 {0.494428 0.808146 0.0753919} H333 522 0.0 -1 1 {} H 0.0 {0.0225461 0.430108 0.498175} H334 523 0.0 -1 1 {} H 0.0 {0.979953 0.383215 0.54728} H335 524 0.0 -1 1 {} H 0.0 {0.0473235 0.338438 0.596585} H336 525 0.0 -1 14 {} Si 0.0 {0.875319 0.448749 0.201886} Si22 526 0.0 -1 8 {} O 0.0 {0.9026 0.395643 0.200293} O85 527 0.0 -1 6 {} C 0.0 {0.909441 0.410083 0.154118} C85 528 0.0 -1 1 {} H 0.0 {0.886772 0.400068 0.138903} H337 529 0.0 -1 1 {} H 0.0 {0.923971 0.433709 0.141449} H338 530 0.0 -1 1 {} H 0.0 {0.926363 0.387926 0.147452} H339 531 0.0 -1 8 {} O 0.0 {0.826037 0.43305 0.229831} O86 532 0.0 -1 6 {} C 0.0 {0.80672 0.451155 0.187163} C86 533 0.0 -1 1 {} H 0.0 {0.777799 0.45782 0.200622} H340 534 0.0 -1 1 {} H 0.0 {0.808878 0.476512 0.170246} H341 535 0.0 -1 1 {} H 0.0 {0.798754 0.429265 0.169754} H342 536 0.0 -1 8 {} O 0.0 {0.909614 0.450847 0.251004} O87 537 0.0 -1 6 {} C 0.0 {0.950472 0.430091 0.265596} C87 538 0.0 -1 1 {} H 0.0 {0.970654 0.434591 0.244747} H343 539 0.0 -1 1 {} H 0.0 {0.958243 0.442359 0.291147} H344 540 0.0 -1 1 {} H 0.0 {0.948234 0.399769 0.272454} H345 541 0.0 -1 8 {} O 0.0 {0.866536 0.505241 0.20031} O88 542 0.0 -1 6 {} C 0.0 {0.886014 0.49956 0.154335} C88 543 0.0 -1 1 {} H 0.0 {0.868011 0.488337 0.133407} H346 544 0.0 -1 1 {} H 0.0 {0.894546 0.529442 0.150695} H347 545 0.0 -1 1 {} H 0.0 {0.913543 0.485708 0.153106} H348 546 0.0 -1 1 {} H 0.0 {0.748328 0.0439796 0.382283} H349 547 0.0 -1 1 {} H 0.0 {0.888164 0.518345 0.214352} H350 548 0.0 -1 1 {} H 0.0 {0.927156 0.403201 0.211394} H351 549 0.0 -1 1 {} H 0.0 {0.824325 0.454251 0.244653} H352 550 0.0 -1 14 {} Si 0.0 {0.501733 0.586167 0.53102} Si23 551 0.0 -1 8 {} O 0.0 {0.549566 0.609359 0.506702} O89 552 0.0 -1 6 {} C 0.0 {0.584621 0.622688 0.473144} C89 553 0.0 -1 1 {} H 0.0 {0.60471 0.636279 0.489831} H353 554 0.0 -1 1 {} H 0.0 {0.591288 0.594445 0.461684} H354 555 0.0 -1 1 {} H 0.0 {0.573013 0.641566 0.451512} H355 556 0.0 -1 8 {} O 0.0 {0.519886 0.617949 0.575236} O90 557 0.0 -1 6 {} C 0.0 {0.470292 0.627633 0.577106} C90 558 0.0 -1 1 {} H 0.0 {0.464307 0.656992 0.569606} H356 559 0.0 -1 1 {} H 0.0 {0.447946 0.612092 0.565442} H357 560 0.0 -1 1 {} H 0.0 {0.467207 0.624544 0.607717} H358 561 0.0 -1 8 {} O 0.0 {0.467614 0.629336 0.503807} O91 562 0.0 -1 6 {} C 0.0 {0.473879 0.598309 0.466364} C91 563 0.0 -1 1 {} H 0.0 {0.498995 0.584127 0.458939} H359 564 0.0 -1 1 {} H 0.0 {0.452203 0.57892 0.463811} H360 565 0.0 -1 1 {} H 0.0 {0.472972 0.622505 0.445645} H361 566 0.0 -1 8 {} O 0.0 {0.530717 0.538152 0.550354} O92 567 0.0 -1 6 {} C 0.0 {0.483501 0.522509 0.54107} C92 568 0.0 -1 1 {} H 0.0 {0.467595 0.521861 0.568206} H362 569 0.0 -1 1 {} H 0.0 {0.465715 0.533526 0.519848} H363 570 0.0 -1 1 {} H 0.0 {0.489792 0.495954 0.526262} H364 571 0.0 -1 1 {} H 0.0 {0.643425 0.549129 0.489754} H365 572 0.0 -1 1 {} H 0.0 {0.539779 0.53293 0.52528} H366 573 0.0 -1 1 {} H 0.0 {0.55757 0.625752 0.529393} H367 574 0.0 -1 1 {} H 0.0 {0.520111 0.596206 0.592276} H368 575 0.0 -1 14 {} Si 0.0 {0.955536 0.429318 0.697486} Si24 576 0.0 -1 8 {} O 0.0 {0.976509 0.467087 0.656062} O93 577 0.0 -1 6 {} C 0.0 {0.947737 0.436056 0.630087} C93 578 0.0 -1 1 {} H 0.0 {0.921316 0.445856 0.622833} H369 579 0.0 -1 1 {} H 0.0 {0.968103 0.428462 0.606811} H370 580 0.0 -1 1 {} H 0.0 {0.947195 0.40656 0.635053} H371 581 0.0 -1 8 {} O 0.0 {0.94934 0.471253 0.740053} O94 582 0.0 -1 6 {} C 0.0 {0.944829 0.470738 0.787408} C94 583 0.0 -1 1 {} H 0.0 {0.920699 0.455378 0.792084} H372 584 0.0 -1 1 {} H 0.0 {0.964875 0.454461 0.804741} H373 585 0.0 -1 1 {} H 0.0 {0.941614 0.498387 0.797691} H374 586 0.0 -1 8 {} O 0.0 {0.917755 0.384481 0.712584} O95 587 0.0 -1 6 {} C 0.0 {0.890324 0.425313 0.715352} C95 588 0.0 -1 1 {} H 0.0 {0.873287 0.41531 0.736722} H375 589 0.0 -1 1 {} H 0.0 {0.893616 0.453139 0.725747} H376 590 0.0 -1 1 {} H 0.0 {0.872484 0.420314 0.689605} H377 591 0.0 -1 8 {} O 0.0 {0.99868 0.409525 0.731227} O96 592 0.0 -1 6 {} C 0.0 {0.992438 0.369423 0.701892} C96 593 0.0 -1 1 {} H 0.0 {0.021064 0.368445 0.69308} H378 594 0.0 -1 1 {} H 0.0 {0.980109 0.346371 0.719334} H379 595 0.0 -1 1 {} H 0.0 {0.977583 0.368466 0.675049} H380 596 0.0 -1 1 {} H 0.0 {0.503837 0.00934016 0.291125} H381 597 0.0 -1 1 {} H 0.0 {0.0212557 0.420019 0.717649} H382 598 0.0 -1 1 {} H 0.0 {0.000783335 0.456645 0.649951} H383 599 0.0 -1 1 {} H 0.0 {0.975881 0.479642 0.738907} H384 600 0.0 -1 14 {} Si 0.0 {0.595238 0.820484 0.325635} Si25 601 0.0 -1 8 {} O 0.0 {0.647909 0.829668 0.297087} O97 602 0.0 -1 6 {} C 0.0 {0.661594 0.824149 0.343798} C97 603 0.0 -1 1 {} H 0.0 {0.657744 0.801219 0.36564} H385 604 0.0 -1 1 {} H 0.0 {0.690041 0.815371 0.333627} H386 605 0.0 -1 1 {} H 0.0 {0.662829 0.849638 0.358479} H387 606 0.0 -1 8 {} O 0.0 {0.557111 0.863402 0.319238} O98 607 0.0 -1 6 {} C 0.0 {0.56854 0.862121 0.368199} C98 608 0.0 -1 1 {} H 0.0 {0.539879 0.864686 0.380542} H388 609 0.0 -1 1 {} H 0.0 {0.582609 0.843749 0.387329} H389 610 0.0 -1 1 {} H 0.0 {0.578319 0.890515 0.370688} H390 611 0.0 -1 8 {} O 0.0 {0.57088 0.802004 0.273035} O99 612 0.0 -1 6 {} C 0.0 {0.60393 0.782937 0.24214} C99 613 0.0 -1 1 {} H 0.0 {0.589086 0.776987 0.216369} H391 614 0.0 -1 1 {} H 0.0 {0.6274 0.7997 0.23993} H392 615 0.0 -1 1 {} H 0.0 {0.614774 0.756329 0.252266} H393 616 0.0 -1 8 {} O 0.0 {0.554873 0.78465 0.346018} O100 617 0.0 -1 6 {} C 0.0 {0.591606 0.764797 0.372078} C100 618 0.0 -1 1 {} H 0.0 {0.617448 0.758352 0.360646} H394 619 0.0 -1 1 {} H 0.0 {0.592316 0.772958 0.400763} H395 620 0.0 -1 1 {} H 0.0 {0.579419 0.735623 0.366872} H396 621 0.0 -1 1 {} H 0.0 {0.502642 0.340994 0.462593} H397 622 0.0 -1 1 {} H 0.0 {0.553908 0.765505 0.323731} H398 623 0.0 -1 1 {} H 0.0 {0.657821 0.807052 0.288241} H399 624 0.0 -1 1 {} H 0.0 {0.537657 0.847012 0.318208} H400 625 0.0 -1 14 {} Si 0.0 {0.687653 0.579528 0.622538} Si26 626 0.0 -1 8 {} O 0.0 {0.647256 0.575312 0.662724} O101 627 0.0 -1 6 {} C 0.0 {0.621339 0.555686 0.624795} C101 628 0.0 -1 1 {} H 0.0 {0.622822 0.553354 0.594893} H401 629 0.0 -1 1 {} H 0.0 {0.620561 0.527492 0.631982} H402 630 0.0 -1 1 {} H 0.0 {0.595413 0.571324 0.629} H403 631 0.0 -1 8 {} O 0.0 {0.664445 0.628704 0.594725} O102 632 0.0 -1 6 {} C 0.0 {0.684292 0.608729 0.554238} C102 633 0.0 -1 1 {} H 0.0 {0.703454 0.586534 0.5599} H404 634 0.0 -1 1 {} H 0.0 {0.662188 0.596371 0.539163} H405 635 0.0 -1 1 {} H 0.0 {0.699128 0.634318 0.542574} H406 636 0.0 -1 8 {} O 0.0 {0.717132 0.6129 0.66042} O103 637 0.0 -1 6 {} C 0.0 {0.707301 0.621197 0.707642} C103 638 0.0 -1 1 {} H 0.0 {0.714609 0.595676 0.72341} H407 639 0.0 -1 1 {} H 0.0 {0.723629 0.642206 0.716067} H408 640 0.0 -1 1 {} H 0.0 {0.67877 0.626809 0.709531} H409 641 0.0 -1 8 {} O 0.0 {0.728764 0.541953 0.631399} O104 642 0.0 -1 6 {} C 0.0 {0.710071 0.526646 0.587946} C104 643 0.0 -1 1 {} H 0.0 {0.691247 0.505708 0.59245} H410 644 0.0 -1 1 {} H 0.0 {0.702842 0.537841 0.561546} H411 645 0.0 -1 1 {} H 0.0 {0.739433 0.517015 0.579915} H412 646 0.0 -1 1 {} H 0.0 {0.768949 0.798572 0.193321} H413 647 0.0 -1 1 {} H 0.0 {0.751146 0.555201 0.623509} H414 648 0.0 -1 1 {} H 0.0 {0.634903 0.60086 0.663365} H415 649 0.0 -1 1 {} H 0.0 {0.684137 0.643912 0.604115} H416 650 0.0 -1 14 {} Si 0.0 {0.342854 0.331884 0.0931781} Si27 651 0.0 -1 8 {} O 0.0 {0.291935 0.302022 0.0823677} O105 652 0.0 -1 6 {} C 0.0 {0.274834 0.328205 0.120574} C105 653 0.0 -1 1 {} H 0.0 {0.289009 0.352439 0.128614} H417 654 0.0 -1 1 {} H 0.0 {0.249487 0.34111 0.108149} H418 655 0.0 -1 1 {} H 0.0 {0.267462 0.313106 0.144471} H419 656 0.0 -1 8 {} O 0.0 {0.377735 0.289082 0.0731625} O106 657 0.0 -1 6 {} C 0.0 {0.424258 0.279857 0.0587917} C106 658 0.0 -1 1 {} H 0.0 {0.445523 0.287595 0.0777162} H420 659 0.0 -1 1 {} H 0.0 {0.42776 0.250867 0.051871} H421 660 0.0 -1 1 {} H 0.0 {0.42748 0.297864 0.0343904} H422 661 0.0 -1 8 {} O 0.0 {0.350546 0.354998 0.04093} O107 662 0.0 -1 6 {} C 0.0 {0.349004 0.395525 0.0720008} C107 663 0.0 -1 1 {} H 0.0 {0.372698 0.412267 0.0577234} H423 664 0.0 -1 1 {} H 0.0 {0.322627 0.40663 0.069294} H424 665 0.0 -1 1 {} H 0.0 {0.35892 0.400762 0.0990887} H425 666 0.0 -1 8 {} O 0.0 {0.341635 0.313504 0.152035} O108 667 0.0 -1 6 {} C 0.0 {0.382939 0.341293 0.145965} C108 668 0.0 -1 1 {} H 0.0 {0.400609 0.344994 0.120744} H426 669 0.0 -1 1 {} H 0.0 {0.380732 0.370979 0.157232} H427 670 0.0 -1 1 {} H 0.0 {0.402577 0.325417 0.160693} H428 671 0.0 -1 1 {} H 0.0 {0.80047 0.476132 0.329014} H429 672 0.0 -1 1 {} H 0.0 {0.352928 0.290606 0.144254} H430 673 0.0 -1 1 {} H 0.0 {0.297957 0.278845 0.0943836} H431 674 0.0 -1 1 {} H 0.0 {0.367715 0.287285 0.0466653} H432 675 0.0 -1 14 {} Si 0.0 {0.356845 0.451054 0.779875} Si28 676 0.0 -1 8 {} O 0.0 {0.369509 0.482896 0.828691} O109 677 0.0 -1 6 {} C 0.0 {0.33763 0.512484 0.803455} C109 678 0.0 -1 1 {} H 0.0 {0.355239 0.53398 0.790991} H433 679 0.0 -1 1 {} H 0.0 {0.315885 0.51506 0.77941} H434 680 0.0 -1 1 {} H 0.0 {0.321301 0.521018 0.827326} H435 681 0.0 -1 8 {} O 0.0 {0.344628 0.392965 0.790117} O110 682 0.0 -1 6 {} C 0.0 {0.299951 0.414103 0.791935} C110 683 0.0 -1 1 {} H 0.0 {0.283084 0.390252 0.777924} H436 684 0.0 -1 1 {} H 0.0 {0.290454 0.421428 0.818548} H437 685 0.0 -1 1 {} H 0.0 {0.289875 0.436137 0.773427} H438 686 0.0 -1 8 {} O 0.0 {0.383126 0.451874 0.727523} O111 687 0.0 -1 6 {} C 0.0 {0.344007 0.482198 0.721207} C111 688 0.0 -1 1 {} H 0.0 {0.354946 0.484778 0.691999} H439 689 0.0 -1 1 {} H 0.0 {0.317663 0.470128 0.713928} H440 690 0.0 -1 1 {} H 0.0 {0.349234 0.509816 0.731014} H441 691 0.0 -1 8 {} O 0.0 {0.413067 0.428739 0.792861} O112 692 0.0 -1 6 {} C 0.0 {0.433476 0.390004 0.815679} C112 693 0.0 -1 1 {} H 0.0 {0.460531 0.400025 0.825429} H442 694 0.0 -1 1 {} H 0.0 {0.416674 0.385052 0.839118} H443 695 0.0 -1 1 {} H 0.0 {0.432787 0.364876 0.799169} H444 696 0.0 -1 1 {} H 0.0 {0.487141 0.952204 0.353758} H445 697 0.0 -1 1 {} H 0.0 {0.420531 0.446629 0.812472} H446 698 0.0 -1 1 {} H 0.0 {0.354373 0.478872 0.850279} H447 699 0.0 -1 1 {} H 0.0 {0.348644 0.387758 0.763558} H448 700 0.0 -1 14 {} Si 0.0 {0.513038 0.10694 0.589108} Si29 701 0.0 -1 8 {} O 0.0 {0.522608 0.0703739 0.565661} O113 702 0.0 -1 6 {} C 0.0 {0.523647 0.0271333 0.586684} C113 703 0.0 -1 1 {} H 0.0 {0.54927 0.0228377 0.599726} H449 704 0.0 -1 1 {} H 0.0 {0.499966 0.0217664 0.603946} H450 705 0.0 -1 1 {} H 0.0 {0.520784 0.00786116 0.562045} H451 706 0.0 -1 8 {} O 0.0 {0.551794 0.0983397 0.633788} O114 707 0.0 -1 6 {} C 0.0 {0.550954 0.147789 0.624058} C114 708 0.0 -1 1 {} H 0.0 {0.546511 0.15834 0.651869} H452 709 0.0 -1 1 {} H 0.0 {0.578086 0.154747 0.612879} H453 710 0.0 -1 1 {} H 0.0 {0.534909 0.172806 0.612844} H454 711 0.0 -1 8 {} O 0.0 {0.535825 0.147277 0.552836} O115 712 0.0 -1 6 {} C 0.0 {0.58033 0.142121 0.535562} C115 713 0.0 -1 1 {} H 0.0 {0.584759 0.112929 0.531953} H455 714 0.0 -1 1 {} H 0.0 {0.584056 0.154154 0.507518} H456 715 0.0 -1 1 {} H 0.0 {0.597652 0.158549 0.555006} H457 716 0.0 -1 8 {} O 0.0 {0.472799 0.15183 0.601359} O116 717 0.0 -1 6 {} C 0.0 {0.448235 0.112264 0.617349} C116 718 0.0 -1 1 {} H 0.0 {0.43801 0.120933 0.644837} H458 719 0.0 -1 1 {} H 0.0 {0.428272 0.105661 0.597192} H459 720 0.0 -1 1 {} H 0.0 {0.458274 0.0838853 0.623574} H460 721 0.0 -1 1 {} H 0.0 {0.304256 0.075042 0.254799} H461 722 0.0 -1 1 {} H 0.0 {0.470633 0.151087 0.574559} H462 723 0.0 -1 1 {} H 0.0 {0.820697 0.0899139 0.378556} H463 724 0.0 -1 1 {} H 0.0 {0.571946 0.0905965 0.617133} H464 725 0.0 -1 14 {} Si 0.0 {0.280733 0.454296 0.394441} Si30 726 0.0 -1 8 {} O 0.0 {0.234198 0.426097 0.375315} O117 727 0.0 -1 6 {} C 0.0 {0.2181 0.440287 0.419478} C117 728 0.0 -1 1 {} H 0.0 {0.206647 0.410701 0.42543} H465 729 0.0 -1 1 {} H 0.0 {0.235441 0.446034 0.445335} H466 730 0.0 -1 1 {} H 0.0 {0.198848 0.462537 0.413145} H467 731 0.0 -1 8 {} O 0.0 {0.328629 0.420379 0.404022} O118 732 0.0 -1 6 {} C 0.0 {0.297806 0.401735 0.437015} C118 733 0.0 -1 1 {} H 0.0 {0.28731 0.411639 0.464206} H468 734 0.0 -1 1 {} H 0.0 {0.276938 0.385213 0.421944} H469 735 0.0 -1 1 {} H 0.0 {0.320417 0.383502 0.446421} H470 736 0.0 -1 8 {} O 0.0 {0.296291 0.45415 0.336539} O119 737 0.0 -1 6 {} C 0.0 {0.334603 0.473382 0.313831} C119 738 0.0 -1 1 {} H 0.0 {0.33608 0.464348 0.285622} H471 739 0.0 -1 1 {} H 0.0 {0.328528 0.503305 0.315819} H472 740 0.0 -1 1 {} H 0.0 {0.359621 0.466839 0.330236} H473 741 0.0 -1 8 {} O 0.0 {0.30491 0.507327 0.399638} O120 742 0.0 -1 6 {} C 0.0 {0.26759 0.511257 0.433666} C120 743 0.0 -1 1 {} H 0.0 {0.248224 0.530464 0.421162} H474 744 0.0 -1 1 {} H 0.0 {0.253477 0.488191 0.446162} H475 745 0.0 -1 1 {} H 0.0 {0.284302 0.52272 0.457353} H476 746 0.0 -1 1 {} H 0.0 {0.693685 0.374372 0.0902739} H477 747 0.0 -1 1 {} H 0.0 {0.295522 0.522004 0.379804} H478 748 0.0 -1 1 {} H 0.0 {0.225043 0.447524 0.357332} H479 749 0.0 -1 1 {} H 0.0 {0.326865 0.405213 0.383229} H480 750 0.0 -1 14 {} Si 0.0 {0.323655 0.430215 0.952216} Si31 751 0.0 -1 8 {} O 0.0 {0.285629 0.416078 0.997698} O121 752 0.0 -1 6 {} C 0.0 {0.277086 0.378047 0.967304} C121 753 0.0 -1 1 {} H 0.0 {0.264931 0.360474 0.988991} H481 754 0.0 -1 1 {} H 0.0 {0.257398 0.383308 0.945985} H482 755 0.0 -1 1 {} H 0.0 {0.299792 0.360455 0.960529} H483 756 0.0 -1 8 {} O 0.0 {0.375961 0.441437 0.978555} O122 757 0.0 -1 6 {} C 0.0 {0.368529 0.404997 0.94741} C122 758 0.0 -1 1 {} H 0.0 {0.365562 0.377206 0.959476} H484 759 0.0 -1 1 {} H 0.0 {0.377279 0.402392 0.919326} H485 760 0.0 -1 1 {} H 0.0 {0.513785 0.413264 0.64326} H486 761 0.0 -1 8 {} O 0.0 {0.74905 0.781098 0.198228} O123 762 0.0 -1 6 {} C 0.0 {0.723529 0.792963 0.15864} C123 763 0.0 -1 1 {} H 0.0 {0.70982 0.819762 0.16376} H487 764 0.0 -1 1 {} H 0.0 {0.737918 0.793014 0.131341} H488 765 0.0 -1 1 {} H 0.0 {0.702049 0.771175 0.157176} H489 766 0.0 -1 8 {} O 0.0 {0.307964 0.485426 0.941246} O124 767 0.0 -1 6 {} C 0.0 {0.292344 0.464977 0.897821} C124 768 0.0 -1 1 {} H 0.0 {0.264204 0.478849 0.898141} H490 769 0.0 -1 1 {} H 0.0 {0.308216 0.479076 0.877217} H491 770 0.0 -1 1 {} H 0.0 {0.285804 0.437701 0.891046} H492 771 0.0 -1 1 {} H 0.0 {0.615033 0.425 0.813692} H493 772 0.0 -1 1 {} H 0.0 {0.284867 0.480776 0.954936} H494 773 0.0 -1 1 {} H 0.0 {0.737776 0.775266 0.2963} H495 774 0.0 -1 1 {} H 0.0 {0.778369 0.70712 0.257856} H496 775 0.0 -1 14 {} Si 0.0 {0.78021 0.408779 0.337926} Si32 776 0.0 -1 8 {} O 0.0 {0.735177 0.437622 0.306737} O125 777 0.0 -1 6 {} C 0.0 {0.72821 0.45722 0.262849} C125 778 0.0 -1 1 {} H 0.0 {0.71878 0.436116 0.243279} H497 779 0.0 -1 1 {} H 0.0 {0.710029 0.481593 0.268055} H498 780 0.0 -1 1 {} H 0.0 {0.755351 0.464051 0.253251} H499 781 0.0 -1 8 {} O 0.0 {0.776324 0.353378 0.313411} O126 782 0.0 -1 6 {} C 0.0 {0.77882 0.385339 0.27695} C126 783 0.0 -1 1 {} H 0.0 {0.785723 0.415518 0.276223} H500 784 0.0 -1 1 {} H 0.0 {0.802778 0.379971 0.258321} H501 785 0.0 -1 1 {} H 0.0 {0.749877 0.38603 0.26587} H502 786 0.0 -1 8 {} O 0.0 {0.802611 0.462314 0.35279} O127 787 0.0 -1 6 {} C 0.0 {0.84379 0.439555 0.341461} C127 788 0.0 -1 1 {} H 0.0 {0.849959 0.412445 0.357896} H503 789 0.0 -1 1 {} H 0.0 {0.851539 0.430838 0.313057} H504 790 0.0 -1 1 {} H 0.0 {0.866153 0.454739 0.358042} H505 791 0.0 -1 8 {} O 0.0 {0.744957 0.393669 0.379063} O128 792 0.0 -1 6 {} C 0.0 {0.780966 0.358547 0.380876} C128 793 0.0 -1 1 {} H 0.0 {0.76489 0.334554 0.376301} H506 794 0.0 -1 1 {} H 0.0 {0.809697 0.361094 0.37111} H507 795 0.0 -1 1 {} H 0.0 {0.790959 0.356465 0.409586} H508 796 0.0 -1 1 {} H 0.0 {0.652297 0.577252 0.0325695} H509 797 0.0 -1 1 {} H 0.0 {0.72674 0.378279 0.367877} H510 798 0.0 -1 1 {} H 0.0 {0.730095 0.458529 0.323661} H511 799 0.0 -1 1 {} H 0.0 {0.756892 0.337077 0.303224} H512 800 0.0 -1 14 {} Si 0.0 {0.422035 0.961638 0.337439} Si33 801 0.0 -1 8 {} O 0.0 {0.397674 0.905073 0.34248} O129 802 0.0 -1 6 {} C 0.0 {0.361318 0.93112 0.324345} C129 803 0.0 -1 1 {} H 0.0 {0.34027 0.939252 0.343232} H513 804 0.0 -1 1 {} H 0.0 {0.369277 0.956528 0.304359} H514 805 0.0 -1 1 {} H 0.0 {0.350302 0.912874 0.302513} H515 806 0.0 -1 8 {} O 0.0 {0.426974 0.0122843 0.367967} O130 807 0.0 -1 6 {} C 0.0 {0.379637 0.00416972 0.383463} C130 808 0.0 -1 1 {} H 0.0 {0.379104 0.00712882 0.41444} H516 809 0.0 -1 1 {} H 0.0 {0.365114 0.0249135 0.366276} H517 810 0.0 -1 1 {} H 0.0 {0.368769 0.975853 0.379897} H518 811 0.0 -1 8 {} O 0.0 {0.466534 0.938523 0.366484} O131 812 0.0 -1 6 {} C 0.0 {0.472675 0.894916 0.341038} C131 813 0.0 -1 1 {} H 0.0 {0.501848 0.890724 0.341733} H519 814 0.0 -1 1 {} H 0.0 {0.457662 0.878267 0.360056} H520 815 0.0 -1 1 {} H 0.0 {0.470318 0.890207 0.309216} H521 816 0.0 -1 8 {} O 0.0 {0.463652 0.967791 0.294342} O132 817 0.0 -1 6 {} C 0.0 {0.427574 0.99785 0.279416} C132 818 0.0 -1 1 {} H 0.0 {0.427983 0.02902 0.285948} H522 819 0.0 -1 1 {} H 0.0 {0.435736 0.995834 0.250885} H523 820 0.0 -1 1 {} H 0.0 {0.400169 0.987891 0.282359} H524 821 0.0 -1 1 {} H 0.0 {0.438522 0.939439 0.571807} H525 822 0.0 -1 1 {} H 0.0 {0.462066 0.946881 0.277734} H526 823 0.0 -1 1 {} H 0.0 {0.393863 0.908948 0.370198} H527 824 0.0 -1 1 {} H 0.0 {0.440895 0.00184453 0.388437} H528 825 0.0 -1 14 {} Si 0.0 {0.311314 0.0789103 0.321307} Si34 826 0.0 -1 8 {} O 0.0 {0.271052 0.115124 0.352676} O133 827 0.0 -1 6 {} C 0.0 {0.311279 0.116701 0.380663} C133 828 0.0 -1 1 {} H 0.0 {0.301861 0.113483 0.408653} H529 829 0.0 -1 1 {} H 0.0 {0.328931 0.0892944 0.378211} H530 830 0.0 -1 1 {} H 0.0 {0.327798 0.142895 0.373669} H531 831 0.0 -1 8 {} O 0.0 {0.291683 0.0307884 0.351538} O134 832 0.0 -1 6 {} C 0.0 {0.274576 0.0164847 0.394715} C134 833 0.0 -1 1 {} H 0.0 {0.269901 0.986889 0.396708} H532 834 0.0 -1 1 {} H 0.0 {0.295586 0.024259 0.413737} H533 835 0.0 -1 1 {} H 0.0 {0.249706 0.0300805 0.403035} H534 836 0.0 -1 8 {} O 0.0 {0.282835 0.0742384 0.271165} O135 837 0.0 -1 6 {} C 0.0 {0.278964 0.122943 0.281442} C135 838 0.0 -1 1 {} H 0.0 {0.254332 0.13036 0.294688} H535 839 0.0 -1 1 {} H 0.0 {0.301985 0.135003 0.298002} H536 840 0.0 -1 1 {} H 0.0 {0.290578 0.138921 0.257548} H537 841 0.0 -1 8 {} O 0.0 {0.354401 0.0460715 0.301027} O136 842 0.0 -1 6 {} C 0.0 {0.377556 0.0865046 0.321011} C136 843 0.0 -1 1 {} H 0.0 {0.392483 0.0729853 0.344675} H538 844 0.0 -1 1 {} H 0.0 {0.389818 0.0933802 0.292076} H539 845 0.0 -1 1 {} H 0.0 {0.371915 0.112357 0.33516} H540 846 0.0 -1 1 {} H 0.0 {0.150317 0.25861 0.595711} H541 847 0.0 -1 1 {} H 0.0 {0.356863 0.0295479 0.321013} H542 848 0.0 -1 1 {} H 0.0 {0.257575 0.0999173 0.369522} H543 849 0.0 -1 1 {} H 0.0 {0.662802 0.20453 0.798078} H544 850 0.0 -1 14 {} Si 0.0 {0.74566 0.360328 0.129195} Si35 851 0.0 -1 8 {} O 0.0 {0.730557 0.31335 0.100147} O137 852 0.0 -1 6 {} C 0.0 {0.753256 0.269204 0.0933753} C137 853 0.0 -1 1 {} H 0.0 {0.783352 0.278058 0.0976745} H545 854 0.0 -1 1 {} H 0.0 {0.740585 0.247183 0.111976} H546 855 0.0 -1 1 {} H 0.0 {0.753616 0.262728 0.0660458} H547 856 0.0 -1 8 {} O 0.0 {0.778118 0.373461 0.0807507} O138 857 0.0 -1 6 {} C 0.0 {0.811699 0.37655 0.118373} C138 858 0.0 -1 1 {} H 0.0 {0.836269 0.357139 0.11411} H548 859 0.0 -1 1 {} H 0.0 {0.819972 0.406412 0.115236} H549 860 0.0 -1 1 {} H 0.0 {0.811667 0.379261 0.145971} H550 861 0.0 -1 8 {} O 0.0 {0.689695 0.382429 0.116389} O139 862 0.0 -1 6 {} C 0.0 {0.713627 0.424682 0.118596} C139 863 0.0 -1 1 {} H 0.0 {0.735077 0.428892 0.0976813} H551 864 0.0 -1 1 {} H 0.0 {0.69669 0.446498 0.106936} H552 865 0.0 -1 1 {} H 0.0 {0.726818 0.432389 0.144648} H553 866 0.0 -1 8 {} O 0.0 {0.732754 0.325174 0.174689} O140 867 0.0 -1 6 {} C 0.0 {0.762513 0.359029 0.194894} C140 868 0.0 -1 1 {} H 0.0 {0.778652 0.337934 0.209597} H554 869 0.0 -1 1 {} H 0.0 {0.784391 0.376356 0.185861} H555 870 0.0 -1 1 {} H 0.0 {0.746662 0.377745 0.212957} H556 871 0.0 -1 1 {} H 0.0 {0.392024 0.0993985 0.510768} H557 872 0.0 -1 1 {} H 0.0 {0.719304 0.3157 0.197328} H558 873 0.0 -1 1 {} H 0.0 {0.707593 0.303785 0.112518} H559 874 0.0 -1 1 {} H 0.0 {0.784199 0.346293 0.0754267} H560 875 0.0 -1 14 {} Si 0.0 {0.320192 0.238276 0.716081} Si36 876 0.0 -1 8 {} O 0.0 {0.27845 0.242162 0.675378} O141 877 0.0 -1 6 {} C 0.0 {0.260742 0.204553 0.703838} C141 878 0.0 -1 1 {} H 0.0 {0.232161 0.215993 0.700889} H561 879 0.0 -1 1 {} H 0.0 {0.263238 0.184021 0.681704} H562 880 0.0 -1 1 {} H 0.0 {0.264115 0.187163 0.728982} H563 881 0.0 -1 8 {} O 0.0 {0.318413 0.296271 0.725497} O142 882 0.0 -1 6 {} C 0.0 {0.299621 0.281204 0.770285} C142 883 0.0 -1 1 {} H 0.0 {0.309778 0.305942 0.782607} H564 884 0.0 -1 1 {} H 0.0 {0.27267 0.280629 0.765456} H565 885 0.0 -1 1 {} H 0.0 {0.309208 0.258129 0.786757} H566 886 0.0 -1 8 {} O 0.0 {0.368132 0.222445 0.745151} O143 887 0.0 -1 6 {} C 0.0 {0.337992 0.181521 0.74727} C143 888 0.0 -1 1 {} H 0.0 {0.346736 0.162232 0.728964} H567 889 0.0 -1 1 {} H 0.0 {0.340005 0.171455 0.775632} H568 890 0.0 -1 1 {} H 0.0 {0.308153 0.179836 0.741751} H569 891 0.0 -1 8 {} O 0.0 {0.361153 0.252919 0.673436} O144 892 0.0 -1 6 {} C 0.0 {0.407903 0.259756 0.68132} C144 893 0.0 -1 1 {} H 0.0 {0.408839 0.28499 0.699504} H570 894 0.0 -1 1 {} H 0.0 {0.41886 0.234918 0.693703} H571 895 0.0 -1 1 {} H 0.0 {0.420378 0.266917 0.654617} H572 896 0.0 -1 1 {} H 0.0 {0.148116 0.998668 0.258535} H573 897 0.0 -1 1 {} H 0.0 {0.352854 0.275165 0.661242} H574 898 0.0 -1 1 {} H 0.0 {0.29126 0.226079 0.655864} H575 899 0.0 -1 1 {} H 0.0 {0.340898 0.303355 0.736068} H576 900 0.0 -1 14 {} Si 0.0 {0.232153 0.595478 0.741464} Si37 901 0.0 -1 8 {} O 0.0 {0.642076 0.41644 0.811329} O145 902 0.0 -1 6 {} C 0.0 {0.657174 0.438799 0.769579} C145 903 0.0 -1 1 {} H 0.0 {0.684591 0.425992 0.764361} H577 904 0.0 -1 1 {} H 0.0 {0.636723 0.436888 0.746252} H578 905 0.0 -1 1 {} H 0.0 {0.658775 0.467708 0.779529} H579 906 0.0 -1 8 {} O 0.0 {0.239724 0.544253 0.763385} O146 907 0.0 -1 6 {} C 0.0 {0.20536 0.570343 0.791362} C146 908 0.0 -1 1 {} H 0.0 {0.180672 0.556722 0.781641} H580 909 0.0 -1 1 {} H 0.0 {0.218503 0.565603 0.816697} H581 910 0.0 -1 1 {} H 0.0 {0.196426 0.598362 0.799209} H582 911 0.0 -1 8 {} O 0.0 {0.217309 0.584406 0.687649} O147 912 0.0 -1 6 {} C 0.0 {0.181383 0.617011 0.701315} C147 913 0.0 -1 1 {} H 0.0 {0.18421 0.631713 0.727061} H583 914 0.0 -1 1 {} H 0.0 {0.180025 0.638507 0.679768} H584 915 0.0 -1 1 {} H 0.0 {0.15682 0.599108 0.703519} H585 916 0.0 -1 8 {} O 0.0 {0.287168 0.616033 0.738987} O148 917 0.0 -1 6 {} C 0.0 {0.257491 0.649946 0.76485} C148 918 0.0 -1 1 {} H 0.0 {0.225888 0.647612 0.769254} H586 919 0.0 -1 1 {} H 0.0 {0.272987 0.650081 0.790894} H587 920 0.0 -1 1 {} H 0.0 {0.262718 0.672094 0.74432} H588 921 0.0 -1 1 {} H 0.0 {0.433688 0.793308 0.169207} H589 922 0.0 -1 1 {} H 0.0 {0.38543 0.460117 0.962453} H590 923 0.0 -1 1 {} H 0.0 {0.640104 0.392006 0.799658} H591 924 0.0 -1 1 {} H 0.0 {0.638195 0.442986 0.951117} H592 925 0.0 -1 14 {} Si 0.0 {0.395431 0.927178 0.523875} Si38 926 0.0 -1 8 {} O 0.0 {0.341468 0.91038 0.505862} O149 927 0.0 -1 6 {} C 0.0 {0.347504 0.880438 0.544876} C149 928 0.0 -1 1 {} H 0.0 {0.317419 0.88017 0.554196} H593 929 0.0 -1 1 {} H 0.0 {0.357916 0.853446 0.534816} H594 930 0.0 -1 1 {} H 0.0 {0.357785 0.889014 0.572687} H595 931 0.0 -1 8 {} O 0.0 {0.383484 0.959532 0.570888} O150 932 0.0 -1 6 {} C 0.0 {0.400048 0.00546909 0.557286} C150 933 0.0 -1 1 {} H 0.0 {0.405008 0.0222097 0.581676} H596 934 0.0 -1 1 {} H 0.0 {0.426762 0.99949 0.546476} H597 935 0.0 -1 1 {} H 0.0 {0.383361 0.0216785 0.537263} H598 936 0.0 -1 8 {} O 0.0 {0.450227 0.932904 0.548572} O151 937 0.0 -1 6 {} C 0.0 {0.44858 0.884038 0.543586} C151 938 0.0 -1 1 {} H 0.0 {0.449697 0.867792 0.569573} H599 939 0.0 -1 1 {} H 0.0 {0.422386 0.872923 0.534068} H600 940 0.0 -1 1 {} H 0.0 {0.468181 0.874434 0.524712} H601 941 0.0 -1 8 {} O 0.0 {0.397573 0.973518 0.488299} O152 942 0.0 -1 6 {} C 0.0 {0.397905 0.936506 0.454546} C152 943 0.0 -1 1 {} H 0.0 {0.426755 0.942797 0.443382} H602 944 0.0 -1 1 {} H 0.0 {0.397703 0.905542 0.460759} H603 945 0.0 -1 1 {} H 0.0 {0.372831 0.941756 0.43603} H604 946 0.0 -1 1 {} H 0.0 {0.106685 0.297014 0.685372} H605 947 0.0 -1 1 {} H 0.0 {0.369949 0.976005 0.489348} H606 948 0.0 -1 1 {} H 0.0 {0.323624 0.929581 0.518133} H607 949 0.0 -1 1 {} H 0.0 {0.355817 0.965841 0.567763} H608 950 0.0 -1 14 {} Si 0.0 {0.137136 0.191408 0.56999} Si39 951 0.0 -1 8 {} O 0.0 {0.0852111 0.170381 0.56366} O153 952 0.0 -1 6 {} C 0.0 {0.0590146 0.173223 0.522222} C153 953 0.0 -1 1 {} H 0.0 {0.0358967 0.153706 0.52562} H609 954 0.0 -1 1 {} H 0.0 {0.0471442 0.203391 0.520636} H610 955 0.0 -1 1 {} H 0.0 {0.0742671 0.16452 0.496796} H611 956 0.0 -1 8 {} O 0.0 {0.157209 0.160712 0.529267} O154 957 0.0 -1 6 {} C 0.0 {0.182761 0.204922 0.524667} C154 958 0.0 -1 1 {} H 0.0 {0.21151 0.208694 0.539303} H612 959 0.0 -1 1 {} H 0.0 {0.191698 0.19917 0.495421} H613 960 0.0 -1 1 {} H 0.0 {0.175716 0.236199 0.521226} H614 961 0.0 -1 8 {} O 0.0 {0.147164 0.252628 0.57003} O155 962 0.0 -1 6 {} C 0.0 {0.0982146 0.251522 0.571847} C155 963 0.0 -1 1 {} H 0.0 {0.0769937 0.232751 0.585578} H615 964 0.0 -1 1 {} H 0.0 {0.0915101 0.274924 0.591998} H616 965 0.0 -1 1 {} H 0.0 {0.087268 0.255197 0.543085} H617 966 0.0 -1 8 {} O 0.0 {0.151546 0.150475 0.607062} O156 967 0.0 -1 6 {} C 0.0 {0.167137 0.184804 0.640356} C156 968 0.0 -1 1 {} H 0.0 {0.149584 0.182587 0.664496} H618 969 0.0 -1 1 {} H 0.0 {0.194287 0.174286 0.646708} H619 970 0.0 -1 1 {} H 0.0 {0.166962 0.214885 0.637334} H620 971 0.0 -1 1 {} H 0.0 {0.259641 0.190624 0.598049} H621 972 0.0 -1 1 {} H 0.0 {0.176573 0.146702 0.594044} H622 973 0.0 -1 1 {} H 0.0 {0.0843983 0.142177 0.567542} H623 974 0.0 -1 1 {} H 0.0 {0.140406 0.160321 0.50865} H624 975 0.0 -1 14 {} Si 0.0 {0.454293 0.0828696 0.482715} Si40 976 0.0 -1 8 {} O 0.0 {0.46558 0.0448411 0.524038} O157 977 0.0 -1 6 {} C 0.0 {0.497386 0.0220914 0.492782} C157 978 0.0 -1 1 {} H 0.0 {0.514168 0.0314544 0.470712} H625 979 0.0 -1 1 {} H 0.0 {0.515498 0.0121635 0.514158} H626 980 0.0 -1 1 {} H 0.0 {0.482317 0.998381 0.482129} H627 981 0.0 -1 8 {} O 0.0 {0.456741 0.0421875 0.436355} O158 982 0.0 -1 6 {} C 0.0 {0.441558 0.0837103 0.41679} C158 983 0.0 -1 1 {} H 0.0 {0.464092 0.100446 0.402994} H628 984 0.0 -1 1 {} H 0.0 {0.425387 0.066346 0.393663} H629 985 0.0 -1 1 {} H 0.0 {0.415444 0.0986899 0.430513} H630 986 0.0 -1 8 {} O 0.0 {0.394416 0.0892858 0.48584} O159 987 0.0 -1 6 {} C 0.0 {0.348366 0.0831611 0.473187} C159 988 0.0 -1 1 {} H 0.0 {0.346078 0.0673856 0.446864} H631 989 0.0 -1 1 {} H 0.0 {0.33634 0.0635407 0.494059} H632 990 0.0 -1 1 {} H 0.0 {0.33358 0.111043 0.472235} H633 991 0.0 -1 8 {} O 0.0 {0.463547 0.135845 0.505289} O160 992 0.0 -1 6 {} C 0.0 {0.494167 0.132265 0.465882} C160 993 0.0 -1 1 {} H 0.0 {0.508503 0.104601 0.458639} H634 994 0.0 -1 1 {} H 0.0 {0.482357 0.144134 0.44258} H635 995 0.0 -1 1 {} H 0.0 {0.515813 0.15122 0.479866} H636 996 0.0 -1 1 {} H 0.0 {0.891143 0.41341 0.82606} H637 997 0.0 -1 1 {} H 0.0 {0.448895 0.156743 0.499428} H638 998 0.0 -1 1 {} H 0.0 {0.483352 0.0596439 0.540422} H639 999 0.0 -1 1 {} H 0.0 {0.434478 0.0313519 0.445353} H640 1000 0.0 -1 14 {} Si 0.0 {0.151372 0.0403709 0.315907} Si41 1001 0.0 -1 8 {} O 0.0 {0.169942 0.0960955 0.317326} O161 1002 0.0 -1 6 {} C 0.0 {0.181652 0.0731618 0.362837} C161 1003 0.0 -1 1 {} H 0.0 {0.17107 0.0960385 0.382066} H641 1004 0.0 -1 1 {} H 0.0 {0.166355 0.0521976 0.37904} H642 1005 0.0 -1 1 {} H 0.0 {0.21021 0.0695507 0.364851} H643 1006 0.0 -1 8 {} O 0.0 {0.0948268 0.0420208 0.302434} O162 1007 0.0 -1 6 {} C 0.0 {0.0784519 0.0874447 0.299804} C162 1008 0.0 -1 1 {} H 0.0 {0.0749202 0.0979331 0.327701} H644 1009 0.0 -1 1 {} H 0.0 {0.0979986 0.10368 0.286119} H645 1010 0.0 -1 1 {} H 0.0 {0.0533583 0.0927233 0.28246} H646 1011 0.0 -1 8 {} O 0.0 {0.161488 0.0216731 0.25951} O163 1012 0.0 -1 6 {} C 0.0 {0.202893 0.00807681 0.281578} C163 1013 0.0 -1 1 {} H 0.0 {0.204015 0.98388 0.300442} H647 1014 0.0 -1 1 {} H 0.0 {0.218916 0.999264 0.256421} H648 1015 0.0 -1 1 {} H 0.0 {0.220907 0.0306185 0.290848} H649 1016 0.0 -1 8 {} O 0.0 {0.150505 0.982193 0.331753} O164 1017 0.0 -1 6 {} C 0.0 {0.141483 0.00105077 0.376801} C164 1018 0.0 -1 1 {} H 0.0 {0.16645 0.0118301 0.3932} H650 1019 0.0 -1 1 {} H 0.0 {0.116221 0.0153471 0.380173} H651 1020 0.0 -1 1 {} H 0.0 {0.131545 0.973423 0.389164} H652 1021 0.0 -1 1 {} H 0.0 {0.589348 0.694114 0.844001} H653 1022 0.0 -1 1 {} H 0.0 {0.123314 0.974358 0.325812} H654 1023 0.0 -1 1 {} H 0.0 {0.146958 0.109483 0.325214} H655 1024 0.0 -1 1 {} H 0.0 {0.0991312 0.0369714 0.272673} H656 1025 0.0 -1 14 {} Si 0.0 {0.486417 0.0393157 0.0588888} Si42 1026 0.0 -1 8 {} O 0.0 {0.495352 0.0970403 0.0687965} O165 1027 0.0 -1 6 {} C 0.0 {0.475522 0.0816017 0.111875} C165 1028 0.0 -1 1 {} H 0.0 {0.496518 0.08235 0.134214} H657 1029 0.0 -1 1 {} H 0.0 {0.453302 0.101493 0.119689} H658 1030 0.0 -1 1 {} H 0.0 {0.464758 0.0555558 0.117119} H659 1031 0.0 -1 8 {} O 0.0 {0.43904 0.0128631 0.0461414} O166 1032 0.0 -1 6 {} C 0.0 {0.444788 0.992296 0.0935018} C166 1033 0.0 -1 1 {} H 0.0 {0.431011 0.967632 0.0838325} H660 1034 0.0 -1 1 {} H 0.0 {0.469556 0.98204 0.109683} H661 1035 0.0 -1 1 {} H 0.0 {0.423559 0.00425384 0.111604} H662 1036 0.0 -1 8 {} O 0.0 {0.496172 0.0518588 0.000640115} O167 1037 0.0 -1 6 {} C 0.0 {0.536194 0.0714392 0.978909} C167 1038 0.0 -1 1 {} H 0.0 {0.561665 0.0584597 0.980614} H663 1039 0.0 -1 1 {} H 0.0 {0.534581 0.0768449 0.949794} H664 1040 0.0 -1 1 {} H 0.0 {0.53874 0.0979892 0.996671} H665 1041 0.0 -1 8 {} O 0.0 {0.53279 0.00152465 0.0539888} O168 1042 0.0 -1 6 {} C 0.0 {0.54005 0.0174345 0.099951} C168 1043 0.0 -1 1 {} H 0.0 {0.522683 0.0377604 0.109349} H666 1044 0.0 -1 1 {} H 0.0 {0.533109 0.993839 0.116687} H667 1045 0.0 -1 1 {} H 0.0 {0.56811 0.029033 0.102122} H668 1046 0.0 -1 1 {} H 0.0 {0.744893 0.574474 0.825001} H669 1047 0.0 -1 1 {} H 0.0 {0.549609 0.0165186 0.0388092} H670 1048 0.0 -1 1 {} H 0.0 {0.471074 0.108574 0.0593169} H671 1049 0.0 -1 1 {} H 0.0 {0.422056 0.0358568 0.0496162} H672 1050 0.0 -1 14 {} Si 0.0 {0.493183 0.0613392 0.208175} Si43 1051 0.0 -1 8 {} O 0.0 {0.668888 0.599334 0.0380479} O169 1052 0.0 -1 6 {} C 0.0 {0.632417 0.629911 0.0500865} C169 1053 0.0 -1 1 {} H 0.0 {0.622943 0.618793 0.0775847} H673 1054 0.0 -1 1 {} H 0.0 {0.639486 0.659521 0.0522183} H674 1055 0.0 -1 1 {} H 0.0 {0.612837 0.627321 0.0256266} H675 1056 0.0 -1 8 {} O 0.0 {0.448349 0.0878619 0.191247} O170 1057 0.0 -1 6 {} C 0.0 {0.44008 0.08027 0.240748} C170 1058 0.0 -1 1 {} H 0.0 {0.411039 0.0676385 0.240081} H676 1059 0.0 -1 1 {} H 0.0 {0.446246 0.0557124 0.260477} H677 1060 0.0 -1 1 {} H 0.0 {0.43928 0.104266 0.255292} H678 1061 0.0 -1 8 {} O 0.0 {0.535399 0.0934959 0.187242} O171 1062 0.0 -1 6 {} C 0.0 {0.538778 0.0979352 0.238012} C171 1063 0.0 -1 1 {} H 0.0 {0.547023 0.0690027 0.247452} H679 1064 0.0 -1 1 {} H 0.0 {0.564902 0.114587 0.237406} H680 1065 0.0 -1 1 {} H 0.0 {0.520372 0.117326 0.252432} H681 1066 0.0 -1 8 {} O 0.0 {0.482905 0.0186087 0.172618} O172 1067 0.0 -1 6 {} C 0.0 {0.502062 0.991522 0.210692} C172 1068 0.0 -1 1 {} H 0.0 {0.48268 0.967975 0.209923} H682 1069 0.0 -1 1 {} H 0.0 {0.526466 0.980471 0.204314} H683 1070 0.0 -1 1 {} H 0.0 {0.506234 0.00136566 0.23838} H684 1071 0.0 -1 1 {} H 0.0 {0.366376 0.22753 0.838788} H685 1072 0.0 -1 1 {} H 0.0 {0.455676 0.0184863 0.176453} H686 1073 0.0 -1 1 {} H 0.0 {0.676237 0.610819 0.0138102} H687 1074 0.0 -1 1 {} H 0.0 {0.387147 0.892457 0.958991} H688 1075 0.0 -1 14 {} Si 0.0 {0.309186 0.201778 0.546672} Si44 1076 0.0 -1 8 {} O 0.0 {0.349425 0.243963 0.559265} O173 1077 0.0 -1 6 {} C 0.0 {0.306491 0.267502 0.571389} C173 1078 0.0 -1 1 {} H 0.0 {0.316026 0.284238 0.592983} H689 1079 0.0 -1 1 {} H 0.0 {0.294062 0.285042 0.55156} H690 1080 0.0 -1 1 {} H 0.0 {0.283206 0.253178 0.586596} H691 1081 0.0 -1 8 {} O 0.0 {0.351797 0.170546 0.518889} O174 1082 0.0 -1 6 {} C 0.0 {0.384785 0.177904 0.553552} C174 1083 0.0 -1 1 {} H 0.0 {0.405322 0.191445 0.534057} H692 1084 0.0 -1 1 {} H 0.0 {0.385947 0.192594 0.579862} H693 1085 0.0 -1 1 {} H 0.0 {0.396722 0.150977 0.563577} H694 1086 0.0 -1 8 {} O 0.0 {0.284606 0.189856 0.602784} O175 1087 0.0 -1 6 {} C 0.0 {0.295422 0.145021 0.589704} C175 1088 0.0 -1 1 {} H 0.0 {0.320248 0.135934 0.605028} H695 1089 0.0 -1 1 {} H 0.0 {0.270998 0.132942 0.607048} H696 1090 0.0 -1 1 {} H 0.0 {0.291358 0.130373 0.564904} H697 1091 0.0 -1 8 {} O 0.0 {0.280495 0.230097 0.502073} O176 1092 0.0 -1 6 {} C 0.0 {0.277709 0.181069 0.488005} C176 1093 0.0 -1 1 {} H 0.0 {0.281059 0.154493 0.501994} H698 1094 0.0 -1 1 {} H 0.0 {0.246599 0.177352 0.487026} H699 1095 0.0 -1 1 {} H 0.0 {0.291455 0.180925 0.461664} H700 1096 0.0 -1 1 {} H 0.0 {0.849643 0.446223 0.542044} H701 1097 0.0 -1 1 {} H 0.0 {0.300274 0.24027 0.487817} H702 1098 0.0 -1 1 {} H 0.0 {0.357185 0.232784 0.583085} H703 1099 0.0 -1 1 {} H 0.0 {0.365378 0.152602 0.498519} H704 1100 0.0 -1 14 {} Si 0.0 {0.85615 0.355038 0.797717} Si45 1101 0.0 -1 8 {} O 0.0 {0.812315 0.390956 0.792363} O177 1102 0.0 -1 6 {} C 0.0 {0.806906 0.365143 0.749161} C177 1103 0.0 -1 1 {} H 0.0 {0.818669 0.340637 0.734423} H705 1104 0.0 -1 1 {} H 0.0 {0.777856 0.355439 0.751787} H706 1105 0.0 -1 1 {} H 0.0 {0.808372 0.389252 0.731506} H707 1106 0.0 -1 8 {} O 0.0 {0.897993 0.310878 0.79122} O178 1107 0.0 -1 6 {} C 0.0 {0.865206 0.299907 0.756689} C178 1108 0.0 -1 1 {} H 0.0 {0.874567 0.314521 0.731587} H708 1109 0.0 -1 1 {} H 0.0 {0.876397 0.271595 0.751421} H709 1110 0.0 -1 1 {} H 0.0 {0.835709 0.293751 0.759639} H710 1111 0.0 -1 8 {} O 0.0 {0.896046 0.396071 0.80329} O179 1112 0.0 -1 6 {} C 0.0 {0.94236 0.383927 0.808796} C179 1113 0.0 -1 1 {} H 0.0 {0.948564 0.360034 0.79157} H711 1114 0.0 -1 1 {} H 0.0 {0.959325 0.408055 0.800534} H712 1115 0.0 -1 1 {} H 0.0 {0.953192 0.372391 0.836477} H713 1116 0.0 -1 8 {} O 0.0 {0.852793 0.345937 0.856359} O180 1117 0.0 -1 6 {} C 0.0 {0.807216 0.32866 0.841922} C180 1118 0.0 -1 1 {} H 0.0 {0.783826 0.344645 0.849732} H714 1119 0.0 -1 1 {} H 0.0 {0.800431 0.319404 0.815254} H715 1120 0.0 -1 1 {} H 0.0 {0.803068 0.302447 0.857285} H716 1121 0.0 -1 1 {} H 0.0 {0.3251 0.248785 0.140524} H717 1122 0.0 -1 1 {} H 0.0 {0.867003 0.324697 0.8544} H718 1123 0.0 -1 1 {} H 0.0 {0.82411 0.412938 0.781894} H719 1124 0.0 -1 1 {} H 0.0 {0.889741 0.291871 0.809374} H720 1125 0.0 -1 14 {} Si 0.0 {0.548043 0.714953 0.906087} Si46 1126 0.0 -1 8 {} O 0.0 {0.58668 0.679068 0.929741} O181 1127 0.0 -1 6 {} C 0.0 {0.546348 0.651477 0.939452} C181 1128 0.0 -1 1 {} H 0.0 {0.52536 0.644043 0.918954} H721 1129 0.0 -1 1 {} H 0.0 {0.558327 0.624532 0.93627} H722 1130 0.0 -1 1 {} H 0.0 {0.53583 0.654799 0.968598} H723 1131 0.0 -1 8 {} O 0.0 {0.572997 0.763944 0.92318} O182 1132 0.0 -1 6 {} C 0.0 {0.523052 0.772508 0.931865} C182 1133 0.0 -1 1 {} H 0.0 {0.521415 0.769242 0.963461} H724 1134 0.0 -1 1 {} H 0.0 {0.528988 0.80335 0.930543} H725 1135 0.0 -1 1 {} H 0.0 {0.49765 0.768568 0.919274} H726 1136 0.0 -1 8 {} O 0.0 {0.575571 0.718545 0.852727} O183 1137 0.0 -1 6 {} C 0.0 {0.595499 0.75182 0.821007} C183 1138 0.0 -1 1 {} H 0.0 {0.594377 0.777286 0.836428} H727 1139 0.0 -1 1 {} H 0.0 {0.626499 0.742538 0.818335} H728 1140 0.0 -1 1 {} H 0.0 {0.579221 0.751336 0.796476} H729 1141 0.0 -1 8 {} O 0.0 {0.493385 0.702954 0.924966} O184 1142 0.0 -1 6 {} C 0.0 {0.485489 0.699271 0.877381} C184 1143 0.0 -1 1 {} H 0.0 {0.476781 0.726357 0.868229} H730 1144 0.0 -1 1 {} H 0.0 {0.501105 0.68912 0.852186} H731 1145 0.0 -1 1 {} H 0.0 {0.471862 0.672089 0.8785} H732 1146 0.0 -1 1 {} H 0.0 {0.741784 0.603885 0.662798} H733 1147 0.0 -1 1 {} H 0.0 {0.496062 0.675775 0.930727} H734 1148 0.0 -1 1 {} H 0.0 {0.807956 0.574163 0.693949} H735 1149 0.0 -1 1 {} H 0.0 {0.575668 0.773924 0.896051} H736 1150 0.0 -1 14 {} Si 0.0 {0.798155 0.532806 0.803344} Si47 1151 0.0 -1 8 {} O 0.0 {0.825968 0.49236 0.772621} O185 1152 0.0 -1 6 {} C 0.0 {0.856681 0.494109 0.812434} C185 1153 0.0 -1 1 {} H 0.0 {0.859836 0.511176 0.834945} H737 1154 0.0 -1 1 {} H 0.0 {0.857002 0.466338 0.826073} H738 1155 0.0 -1 1 {} H 0.0 {0.883981 0.493804 0.797166} H739 1156 0.0 -1 8 {} O 0.0 {0.743794 0.515901 0.780182} O186 1157 0.0 -1 6 {} C 0.0 {0.70205 0.525511 0.758945} C186 1158 0.0 -1 1 {} H 0.0 {0.686637 0.541842 0.779491} H740 1159 0.0 -1 1 {} H 0.0 {0.709867 0.540665 0.731859} H741 1160 0.0 -1 1 {} H 0.0 {0.686369 0.500329 0.753548} H742 1161 0.0 -1 8 {} O 0.0 {0.769215 0.571083 0.838348} O187 1162 0.0 -1 6 {} C 0.0 {0.762048 0.527171 0.858888} C187 1163 0.0 -1 1 {} H 0.0 {0.762547 0.499503 0.848137} H743 1164 0.0 -1 1 {} H 0.0 {0.777781 0.525841 0.885368} H744 1165 0.0 -1 1 {} H 0.0 {0.730236 0.526912 0.856578} H745 1166 0.0 -1 8 {} O 0.0 {0.812221 0.571503 0.762407} O188 1167 0.0 -1 6 {} C 0.0 {0.831297 0.593939 0.801037} C188 1168 0.0 -1 1 {} H 0.0 {0.861619 0.589058 0.798644} H746 1169 0.0 -1 1 {} H 0.0 {0.825058 0.622887 0.795276} H747 1170 0.0 -1 1 {} H 0.0 {0.823548 0.590394 0.830014} H748 1171 0.0 -1 1 {} H 0.0 {0.375745 0.356148 0.0324188} H749 1172 0.0 -1 1 {} H 0.0 {0.787674 0.586031 0.762674} H750 1173 0.0 -1 1 {} H 0.0 {0.843119 0.505249 0.754897} H751 1174 0.0 -1 1 {} H 0.0 {0.757023 0.499012 0.761431} H752 1175 0.0 -1 14 {} Si 0.0 {0.175533 0.493756 0.53369} Si48 1176 0.0 -1 8 {} O 0.0 {0.154252 0.447457 0.507278} O189 1177 0.0 -1 6 {} C 0.0 {0.134151 0.481539 0.478194} C189 1178 0.0 -1 1 {} H 0.0 {0.140443 0.510283 0.474042} H753 1179 0.0 -1 1 {} H 0.0 {0.14243 0.474137 0.449141} H754 1180 0.0 -1 1 {} H 0.0 {0.103704 0.483897 0.483261} H755 1181 0.0 -1 8 {} O 0.0 {0.201345 0.514712 0.487052} O190 1182 0.0 -1 6 {} C 0.0 {0.204868 0.556736 0.513876} C190 1183 0.0 -1 1 {} H 0.0 {0.195643 0.568031 0.5393} H756 1184 0.0 -1 1 {} H 0.0 {0.236238 0.55744 0.515339} H757 1185 0.0 -1 1 {} H 0.0 {0.192238 0.574636 0.493573} H758 1186 0.0 -1 8 {} O 0.0 {0.147149 0.482233 0.5855} O191 1187 0.0 -1 6 {} C 0.0 {0.128366 0.526675 0.571789} C191 1188 0.0 -1 1 {} H 0.0 {0.100292 0.519547 0.566159} H759 1189 0.0 -1 1 {} H 0.0 {0.133852 0.547791 0.592342} H760 1190 0.0 -1 1 {} H 0.0 {0.138886 0.537584 0.547047} H761 1191 0.0 -1 8 {} O 0.0 {0.227056 0.470114 0.551368} O192 1192 0.0 -1 6 {} C 0.0 {0.24547 0.489951 0.591346} C192 1193 0.0 -1 1 {} H 0.0 {0.275846 0.488482 0.589543} H762 1194 0.0 -1 1 {} H 0.0 {0.23501 0.51894 0.592718} H763 1195 0.0 -1 1 {} H 0.0 {0.233839 0.474974 0.614533} H764 1196 0.0 -1 1 {} H 0.0 {0.403202 0.470236 0.73262} H765 1197 0.0 -1 1 {} H 0.0 {0.246379 0.476349 0.531475} H766 1198 0.0 -1 1 {} H 0.0 {0.175094 0.438661 0.49028} H767 1199 0.0 -1 1 {} H 0.0 {0.227872 0.505806 0.488368} H768 1200 0.0 -1 14 {} Si 0.0 {0.0491427 0.267871 0.711475} Si49 1201 0.0 -1 8 {} O 0.0 {0.0477102 0.212168 0.725857} O193 1202 0.0 -1 6 {} C 0.0 {0.080593 0.178243 0.740009} C193 1203 0.0 -1 1 {} H 0.0 {0.0996757 0.168279 0.720598} H769 1204 0.0 -1 1 {} H 0.0 {0.0985623 0.19239 0.758638} H770 1205 0.0 -1 1 {} H 0.0 {0.0663397 0.151957 0.753157} H771 1206 0.0 -1 8 {} O 0.0 {0.0332311 0.2847 0.764465} O194 1207 0.0 -1 6 {} C 0.0 {0.058767 0.324048 0.746135} C194 1208 0.0 -1 1 {} H 0.0 {0.0542418 0.33873 0.721823} H772 1209 0.0 -1 1 {} H 0.0 {0.0485281 0.343634 0.766573} H773 1210 0.0 -1 1 {} H 0.0 {0.0879828 0.321876 0.752491} H774 1211 0.0 -1 8 {} O 0.0 {0.106946 0.278721 0.705208} O195 1212 0.0 -1 6 {} C 0.0 {0.106093 0.239405 0.678201} C195 1213 0.0 -1 1 {} H 0.0 {0.0880837 0.215534 0.674522} H775 1214 0.0 -1 1 {} H 0.0 {0.109849 0.250839 0.64881} H776 1215 0.0 -1 1 {} H 0.0 {0.127992 0.222187 0.691186} H777 1216 0.0 -1 8 {} O 0.0 {0.00276319 0.254674 0.676566} O196 1217 0.0 -1 6 {} C 0.0 {0.0141241 0.29847 0.656627} C196 1218 0.0 -1 1 {} H 0.0 {0.0201182 0.290253 0.626357} H778 1219 0.0 -1 1 {} H 0.0 {0.990987 0.318761 0.658507} H779 1220 0.0 -1 1 {} H 0.0 {0.0368567 0.315027 0.661849} H780 1221 0.0 -1 1 {} H 0.0 {0.521455 0.142825 0.531192} H781 1222 0.0 -1 1 {} H 0.0 {0.0167819 0.236125 0.658479} H782 1223 0.0 -1 1 {} H 0.0 {0.0317231 0.21613 0.749721} H783 1224 0.0 -1 1 {} H 0.0 {0.00773279 0.292564 0.758684} H784 1225 0.0 -1 14 {} Si 0.0 {0.835112 0.552899 0.598247} Si50 1226 0.0 -1 8 {} O 0.0 {0.805689 0.580598 0.665865} O197 1227 0.0 -1 6 {} C 0.0 {0.825585 0.540094 0.643749} C197 1228 0.0 -1 1 {} H 0.0 {0.320405 0.869976 0.717441} H785 1229 0.0 -1 1 {} H 0.0 {0.804083 0.518284 0.642474} H786 1230 0.0 -1 1 {} H 0.0 {0.85147 0.532342 0.658703} H787 1231 0.0 -1 8 {} O 0.0 {0.861843 0.51281 0.565597} O198 1232 0.0 -1 6 {} C 0.0 {0.813207 0.504035 0.558976} C198 1233 0.0 -1 1 {} H 0.0 {0.813359 0.47913 0.539747} H788 1234 0.0 -1 1 {} H 0.0 {0.801881 0.491342 0.584583} H789 1235 0.0 -1 1 {} H 0.0 {0.794604 0.523819 0.543919} H790 1236 0.0 -1 8 {} O 0.0 {0.866436 0.598311 0.577141} O199 1237 0.0 -1 6 {} C 0.0 {0.820282 0.616599 0.577539} C199 1238 0.0 -1 1 {} H 0.0 {0.815201 0.624708 0.548579} H791 1239 0.0 -1 1 {} H 0.0 {0.79281 0.608737 0.58818} H792 1240 0.0 -1 1 {} H 0.0 {0.825412 0.639127 0.59628} H793 1241 0.0 -1 8 {} O 0.0 {0.847332 0.423945 0.556786} O200 1242 0.0 -1 6 {} C 0.0 {0.883874 0.397564 0.537169} C200 1243 0.0 -1 1 {} H 0.0 {0.892947 0.374419 0.553509} H794 1244 0.0 -1 1 {} H 0.0 {0.877418 0.387716 0.511996} H795 1245 0.0 -1 1 {} H 0.0 {0.909401 0.411929 0.531663} H796 1246 0.0 -1 1 {} H 0.0 {0.29548 0.429398 0.326585} H797 1247 0.0 -1 1 {} H 0.0 {0.858515 0.433755 0.579466} H798 1248 0.0 -1 1 {} H 0.0 {0.829088 0.595506 0.664832} H799 1249 0.0 -1 1 {} H 0.0 {0.867063 0.527262 0.541642} H800 1250 0.0 -1 14 {} Si 0.0 {0.391137 0.578348 0.0937508} Si51 1251 0.0 -1 8 {} O 0.0 {0.354324 0.537926 0.0735787} O201 1252 0.0 -1 6 {} C 0.0 {0.383084 0.503213 0.0932655} C201 1253 0.0 -1 1 {} H 0.0 {0.39984 0.50588 0.118551} H801 1254 0.0 -1 1 {} H 0.0 {0.362071 0.484614 0.104245} H802 1255 0.0 -1 1 {} H 0.0 {0.396804 0.494219 0.0688618} H803 1256 0.0 -1 8 {} O 0.0 {0.381612 0.622062 0.0528886} O202 1257 0.0 -1 6 {} C 0.0 {0.335437 0.610656 0.0654331} C202 1258 0.0 -1 1 {} H 0.0 {0.322808 0.636663 0.0781518} H804 1259 0.0 -1 1 {} H 0.0 {0.327145 0.603822 0.0360278} H805 1260 0.0 -1 1 {} H 0.0 {0.321537 0.590658 0.0824745} H806 1261 0.0 -1 8 {} O 0.0 {0.389437 0.557481 0.151878} O203 1262 0.0 -1 6 {} C 0.0 {0.389358 0.604832 0.161284} C203 1263 0.0 -1 1 {} H 0.0 {0.377007 0.627052 0.146325} H807 1264 0.0 -1 1 {} H 0.0 {0.373392 0.606603 0.186421} H808 1265 0.0 -1 1 {} H 0.0 {0.417279 0.620054 0.168141} H809 1266 0.0 -1 8 {} O 0.0 {0.439439 0.560937 0.0627394} O204 1267 0.0 -1 6 {} C 0.0 {0.456456 0.607059 0.0698752} C204 1268 0.0 -1 1 {} H 0.0 {0.450884 0.623745 0.0934181} H810 1269 0.0 -1 1 {} H 0.0 {0.485562 0.600958 0.0742925} H811 1270 0.0 -1 1 {} H 0.0 {0.456769 0.623304 0.0437114} H812 1271 0.0 -1 1 {} H 0.0 {0.497507 0.329376 0.882007} H813 1272 0.0 -1 1 {} H 0.0 {0.429576 0.563666 0.0363191} H814 1273 0.0 -1 1 {} H 0.0 {0.333255 0.535215 0.0909105} H815 1274 0.0 -1 1 {} H 0.0 {0.383147 0.61271 0.0286647} H816 1275 0.0 -1 14 {} Si 0.0 {0.371744 0.715012 0.231587} Si52 1276 0.0 -1 8 {} O 0.0 {0.312019 0.716581 0.232668} O205 1277 0.0 -1 6 {} C 0.0 {0.278431 0.738085 0.261605} C205 1278 0.0 -1 1 {} H 0.0 {0.28062 0.729753 0.291738} H817 1279 0.0 -1 1 {} H 0.0 {0.282611 0.766359 0.260421} H818 1280 0.0 -1 1 {} H 0.0 {0.251465 0.733651 0.251365} H819 1281 0.0 -1 8 {} O 0.0 {0.373629 0.712117 0.172805} O206 1282 0.0 -1 6 {} C 0.0 {0.421086 0.723275 0.184939} C206 1283 0.0 -1 1 {} H 0.0 {0.425808 0.742206 0.16361} H820 1284 0.0 -1 1 {} H 0.0 {0.44074 0.737685 0.20558} H821 1285 0.0 -1 1 {} H 0.0 {0.435603 0.694935 0.182928} H822 1286 0.0 -1 8 {} O 0.0 {0.403616 0.751571 0.267706} O207 1287 0.0 -1 6 {} C 0.0 {0.359405 0.772167 0.270572} C207 1288 0.0 -1 1 {} H 0.0 {0.371264 0.79857 0.280936} H823 1289 0.0 -1 1 {} H 0.0 {0.344162 0.785133 0.248332} H824 1290 0.0 -1 1 {} H 0.0 {0.3451 0.759959 0.296168} H825 1291 0.0 -1 8 {} O 0.0 {0.364747 0.658409 0.24175} O208 1292 0.0 -1 6 {} C 0.0 {0.400296 0.667827 0.274553} C208 1293 0.0 -1 1 {} H 0.0 {0.402413 0.694018 0.290436} H826 1294 0.0 -1 1 {} H 0.0 {0.380972 0.655486 0.296116} H827 1295 0.0 -1 1 {} H 0.0 {0.429008 0.659634 0.272263} H828 1296 0.0 -1 1 {} H 0.0 {0.188686 0.135794 0.00622195} H829 1297 0.0 -1 1 {} H 0.0 {0.343824 0.66179 0.261138} H830 1298 0.0 -1 1 {} H 0.0 {0.306943 0.690505 0.234642} H831 1299 0.0 -1 1 {} H 0.0 {0.37811 0.690025 0.157252} H832 1300 0.0 -1 14 {} Si 0.0 {0.502736 0.400108 0.0907868} Si53 1301 0.0 -1 8 {} O 0.0 {0.542252 0.364332 0.0627329} O209 1302 0.0 -1 6 {} C 0.0 {0.517097 0.330821 0.0915063} C209 1303 0.0 -1 1 {} H 0.0 {0.504323 0.308549 0.0764705} H833 1304 0.0 -1 1 {} H 0.0 {0.542631 0.320246 0.107048} H834 1305 0.0 -1 1 {} H 0.0 {0.50204 0.338123 0.116085} H835 1306 0.0 -1 8 {} O 0.0 {0.529862 0.446799 0.10958} O210 1307 0.0 -1 6 {} C 0.0 {0.52895 0.416175 0.149475} C210 1308 0.0 -1 1 {} H 0.0 {0.511551 0.392275 0.152985} H836 1309 0.0 -1 1 {} H 0.0 {0.556665 0.403656 0.151911} H837 1310 0.0 -1 1 {} H 0.0 {0.515262 0.437211 0.166643} H838 1311 0.0 -1 8 {} O 0.0 {0.486303 0.421312 0.039564} O211 1312 0.0 -1 6 {} C 0.0 {0.508887 0.459592 0.015996} C211 1313 0.0 -1 1 {} H 0.0 {0.538152 0.462809 0.0204225} H839 1314 0.0 -1 1 {} H 0.0 {0.504333 0.453502 0.986888} H840 1315 0.0 -1 1 {} H 0.0 {0.496708 0.484302 0.0265287} H841 1316 0.0 -1 8 {} O 0.0 {0.448102 0.374189 0.0852228} O212 1317 0.0 -1 6 {} C 0.0 {0.433952 0.418137 0.10147} C212 1318 0.0 -1 1 {} H 0.0 {0.419848 0.42927 0.0777294} H842 1319 0.0 -1 1 {} H 0.0 {0.419185 0.415767 0.12996} H843 1320 0.0 -1 1 {} H 0.0 {0.453626 0.44106 0.108286} H844 1321 0.0 -1 1 {} H 0.0 {0.548248 0.244081 0.646192} H845 1322 0.0 -1 1 {} H 0.0 {0.269836 0.0203474 0.336514} H846 1323 0.0 -1 1 {} H 0.0 {0.539409 0.354204 0.0390839} H847 1324 0.0 -1 1 {} H 0.0 {0.555366 0.442278 0.100985} H848 1325 0.0 -1 14 {} Si 0.0 {0.900449 0.255021 0.131327} Si54 1326 0.0 -1 8 {} O 0.0 {0.876641 0.207944 0.10716} O213 1327 0.0 -1 6 {} C 0.0 {0.869524 0.195459 0.0603228} C213 1328 0.0 -1 1 {} H 0.0 {0.897843 0.196868 0.0447752} H849 1329 0.0 -1 1 {} H 0.0 {0.85762 0.167335 0.0601207} H850 1330 0.0 -1 1 {} H 0.0 {0.850161 0.21444 0.0498604} H851 1331 0.0 -1 8 {} O 0.0 {0.859881 0.245778 0.174634} O214 1332 0.0 -1 6 {} C 0.0 {0.841467 0.290716 0.166335} C214 1333 0.0 -1 1 {} H 0.0 {0.810613 0.284132 0.163835} H852 1334 0.0 -1 1 {} H 0.0 {0.849912 0.312661 0.187205} H853 1335 0.0 -1 1 {} H 0.0 {0.843529 0.305943 0.141365} H854 1336 0.0 -1 8 {} O 0.0 {0.946152 0.224608 0.14311} O215 1337 0.0 -1 6 {} C 0.0 {0.946092 0.258732 0.180071} C215 1338 0.0 -1 1 {} H 0.0 {0.92001 0.268582 0.188656} H855 1339 0.0 -1 1 {} H 0.0 {0.955916 0.23742 0.201639} H856 1340 0.0 -1 1 {} H 0.0 {0.965522 0.282646 0.173701} H857 1341 0.0 -1 8 {} O 0.0 {0.908831 0.273387 0.0788472} O216 1342 0.0 -1 6 {} C 0.0 {0.908588 0.319769 0.100622} C216 1343 0.0 -1 1 {} H 0.0 {0.886787 0.330773 0.0815058} H858 1344 0.0 -1 1 {} H 0.0 {0.903985 0.330927 0.127195} H859 1345 0.0 -1 1 {} H 0.0 {0.9365 0.3309 0.0946689} H860 1346 0.0 -1 1 {} H 0.0 {0.062231 0.00386927 0.479865} H861 1347 0.0 -1 1 {} H 0.0 {0.934422 0.274016 0.0734282} H862 1348 0.0 -1 1 {} H 0.0 {0.897557 0.18934 0.113973} H863 1349 0.0 -1 1 {} H 0.0 {0.841182 0.230124 0.161122} H864 1350 0.0 -1 14 {} Si 0.0 {0.749277 0.588072 0.442945} Si55 1351 0.0 -1 8 {} O 0.0 {0.786525 0.627597 0.456819} O217 1352 0.0 -1 6 {} C 0.0 {0.814044 0.585729 0.462192} C217 1353 0.0 -1 1 {} H 0.0 {0.804475 0.557482 0.460347} H865 1354 0.0 -1 1 {} H 0.0 {0.837531 0.58269 0.443737} H866 1355 0.0 -1 1 {} H 0.0 {0.822805 0.589297 0.490826} H867 1356 0.0 -1 8 {} O 0.0 {0.7018 0.618381 0.458222} O218 1357 0.0 -1 6 {} C 0.0 {0.693085 0.664704 0.448544} C218 1358 0.0 -1 1 {} H 0.0 {0.697112 0.667614 0.419071} H868 1359 0.0 -1 1 {} H 0.0 {0.663872 0.668736 0.454767} H869 1360 0.0 -1 1 {} H 0.0 {0.710349 0.680442 0.46454} H870 1361 0.0 -1 8 {} O 0.0 {0.745511 0.600338 0.382607} O219 1362 0.0 -1 6 {} C 0.0 {0.748968 0.55221 0.383807} C219 1363 0.0 -1 1 {} H 0.0 {0.775717 0.55002 0.369691} H871 1364 0.0 -1 1 {} H 0.0 {0.747104 0.53322 0.40794} H872 1365 0.0 -1 1 {} H 0.0 {0.723036 0.544725 0.37097} H873 1366 0.0 -1 8 {} O 0.0 {0.748566 0.570215 0.500797} O220 1367 0.0 -1 6 {} C 0.0 {0.713317 0.542344 0.483528} C220 1368 0.0 -1 1 {} H 0.0 {0.691502 0.546384 0.460905} H874 1369 0.0 -1 1 {} H 0.0 {0.72169 0.515801 0.483486} H875 1370 0.0 -1 1 {} H 0.0 {0.694125 0.548853 0.506153} H876 1371 0.0 -1 1 {} H 0.0 {0.658066 0.986556 0.618632} H877 1372 0.0 -1 1 {} H 0.0 {0.734216 0.592553 0.510725} H878 1373 0.0 -1 1 {} H 0.0 {0.797159 0.636174 0.430479} H879 1374 0.0 -1 1 {} H 0.0 {0.681919 0.60553 0.443783} H880 1375 0.0 -1 14 {} Si 0.0 {0.548242 0.313723 0.926489} Si56 1376 0.0 -1 8 {} O 0.0 {0.528438 0.353588 0.966894} O221 1377 0.0 -1 6 {} C 0.0 {0.557855 0.382642 0.939743} C221 1378 0.0 -1 1 {} H 0.0 {0.539867 0.407213 0.942021} H881 1379 0.0 -1 1 {} H 0.0 {0.580398 0.384605 0.961199} H882 1380 0.0 -1 1 {} H 0.0 {0.568844 0.379814 0.911076} H883 1381 0.0 -1 8 {} O 0.0 {0.502596 0.283875 0.939112} O222 1382 0.0 -1 6 {} C 0.0 {0.528343 0.27628 0.983205} C222 1383 0.0 -1 1 {} H 0.0 {0.550055 0.292978 0.993555} H884 1384 0.0 -1 1 {} H 0.0 {0.50616 0.281029 0.00252537} H885 1385 0.0 -1 1 {} H 0.0 {0.542133 0.247841 0.982176} H886 1386 0.0 -1 8 {} O 0.0 {0.520305 0.343809 0.886946} O223 1387 0.0 -1 6 {} C 0.0 {0.531531 0.346974 0.838201} C223 1388 0.0 -1 1 {} H 0.0 {0.552636 0.367711 0.836599} H887 1389 0.0 -1 1 {} H 0.0 {0.539518 0.322351 0.824647} H888 1390 0.0 -1 1 {} H 0.0 {0.506596 0.355563 0.826587} H889 1391 0.0 -1 8 {} O 0.0 {0.573304 0.279821 0.881901} O224 1392 0.0 -1 6 {} C 0.0 {0.611113 0.285388 0.914021} C224 1393 0.0 -1 1 {} H 0.0 {0.613248 0.307583 0.934689} H890 1394 0.0 -1 1 {} H 0.0 {0.616452 0.259014 0.923261} H891 1395 0.0 -1 1 {} H 0.0 {0.630531 0.295733 0.893253} H892 1396 0.0 -1 1 {} H 0.0 {0.430523 0.432459 0.8904} H893 1397 0.0 -1 1 {} H 0.0 {0.580624 0.301153 0.865507} H894 1398 0.0 -1 1 {} H 0.0 {0.504257 0.36062 0.955954} H895 1399 0.0 -1 1 {} H 0.0 {0.482213 0.300716 0.944542} H896 1400 0.0 -1 14 {} Si 0.0 {0.172898 0.0675997 0.0123441} Si57 1401 0.0 -1 8 {} O 0.0 {0.12542 0.0837591 0.0427908} O225 1402 0.0 -1 6 {} C 0.0 {0.130838 0.0371173 0.0595753} C225 1403 0.0 -1 1 {} H 0.0 {0.101121 0.032644 0.0630464} H897 1404 0.0 -1 1 {} H 0.0 {0.141868 0.0121294 0.0447104} H898 1405 0.0 -1 1 {} H 0.0 {0.144789 0.0449113 0.0855525} H899 1406 0.0 -1 8 {} O 0.0 {0.156295 0.0956815 0.963809} O226 1407 0.0 -1 6 {} C 0.0 {0.169641 0.0497708 0.949285} C226 1408 0.0 -1 1 {} H 0.0 {0.181318 0.0246986 0.961599} H900 1409 0.0 -1 1 {} H 0.0 {0.145443 0.0354106 0.935866} H901 1410 0.0 -1 1 {} H 0.0 {0.193772 0.0579834 0.933354} H902 1411 0.0 -1 8 {} O 0.0 {0.202289 0.118468 0.0214948} O227 1412 0.0 -1 6 {} C 0.0 {0.243571 0.144972 0.0288592} C227 1413 0.0 -1 1 {} H 0.0 {0.246391 0.161676 0.00530066} H903 1414 0.0 -1 1 {} H 0.0 {0.238582 0.163339 0.0538086} H904 1415 0.0 -1 1 {} H 0.0 {0.267423 0.126511 0.0350596} H905 1416 0.0 -1 8 {} O 0.0 {0.200602 0.0405312 0.0580569} O228 1417 0.0 -1 6 {} C 0.0 {0.227198 0.0196849 0.0211563} C228 1418 0.0 -1 1 {} H 0.0 {0.241572 0.0372898 0.00197571} H906 1419 0.0 -1 1 {} H 0.0 {0.248655 0.00914427 0.0420173} H907 1420 0.0 -1 1 {} H 0.0 {0.216278 0.996223 0.00501813} H908 1421 0.0 -1 1 {} H 0.0 {0.746777 0.447678 0.408547} H909 1422 0.0 -1 1 {} H 0.0 {0.219638 0.0612382 0.0644872} H910 1423 0.0 -1 1 {} H 0.0 {0.134969 0.0965543 0.0661888} H911 1424 0.0 -1 1 {} H 0.0 {0.129315 0.0940925 0.966116} H912 1425 0.0 -1 14 {} Si 0.0 {0.550104 0.261035 0.711838} Si58 1426 0.0 -1 8 {} O 0.0 {0.502211 0.287893 0.726727} O229 1427 0.0 -1 6 {} C 0.0 {0.534903 0.303309 0.761854} C229 1428 0.0 -1 1 {} H 0.0 {0.541438 0.333484 0.758208} H913 1429 0.0 -1 1 {} H 0.0 {0.515891 0.297725 0.784108} H914 1430 0.0 -1 1 {} H 0.0 {0.55738 0.284566 0.772138} H915 1431 0.0 -1 8 {} O 0.0 {0.525702 0.207061 0.709777} O230 1432 0.0 -1 6 {} C 0.0 {0.490621 0.196492 0.676735} C230 1433 0.0 -1 1 {} H 0.0 {0.468704 0.215627 0.678981} H916 1434 0.0 -1 1 {} H 0.0 {0.504073 0.198255 0.648598} H917 1435 0.0 -1 1 {} H 0.0 {0.47765 0.170151 0.681886} H918 1436 0.0 -1 8 {} O 0.0 {0.538666 0.268832 0.657611} O231 1437 0.0 -1 6 {} C 0.0 {0.583281 0.293272 0.655228} C231 1438 0.0 -1 1 {} H 0.0 {0.581625 0.324015 0.655885} H919 1439 0.0 -1 1 {} H 0.0 {0.608056 0.287828 0.669723} H920 1440 0.0 -1 1 {} H 0.0 {0.59114 0.281152 0.626521} H921 1441 0.0 -1 8 {} O 0.0 {0.600996 0.23109 0.694994} O232 1442 0.0 -1 6 {} C 0.0 {0.606001 0.22611 0.743248} C232 1443 0.0 -1 1 {} H 0.0 {0.585529 0.23247 0.767405} H922 1444 0.0 -1 1 {} H 0.0 {0.608178 0.196395 0.745248} H923 1445 0.0 -1 1 {} H 0.0 {0.630961 0.242292 0.751395} H924 1446 0.0 -1 1 {} H 0.0 {0.377361 0.728153 0.75654} H925 1447 0.0 -1 1 {} H 0.0 {0.582924 0.211787 0.691911} H926 1448 0.0 -1 1 {} H 0.0 {0.488185 0.266441 0.743319} H927 1449 0.0 -1 1 {} H 0.0 {0.511358 0.202539 0.734628} H928 1450 0.0 -1 14 {} Si 0.0 {0.088039 0.0462708 0.535667} Si59 1451 0.0 -1 8 {} O 0.0 {0.0654911 0.0761158 0.583365} O233 1452 0.0 -1 6 {} C 0.0 {0.0321258 0.0829377 0.548881} C233 1453 0.0 -1 1 {} H 0.0 {0.0259606 0.0801324 0.520593} H929 1454 0.0 -1 1 {} H 0.0 {0.00686708 0.0697871 0.559265} H930 1455 0.0 -1 1 {} H 0.0 {0.0306886 0.114598 0.548426} H931 1456 0.0 -1 8 {} O 0.0 {0.0521202 0.00890958 0.559375} O234 1457 0.0 -1 6 {} C 0.0 {0.00370905 0.99503 0.552437} C234 1458 0.0 -1 1 {} H 0.0 {0.985155 0.0167798 0.561321} H932 1459 0.0 -1 1 {} H 0.0 {0.00349548 0.992385 0.522136} H933 1460 0.0 -1 1 {} H 0.0 {0.995578 0.96953 0.564975} H934 1461 0.0 -1 8 {} O 0.0 {0.0873369 0.0148448 0.48342} O235 1462 0.0 -1 6 {} C 0.0 {0.0808471 0.0600108 0.467471} C235 1463 0.0 -1 1 {} H 0.0 {0.0590003 0.081993 0.477493} H935 1464 0.0 -1 1 {} H 0.0 {0.104545 0.0757651 0.459932} H936 1465 0.0 -1 1 {} H 0.0 {0.0641791 0.0519046 0.444049} H937 1466 0.0 -1 8 {} O 0.0 {0.13497 0.0276456 0.56927} O236 1467 0.0 -1 6 {} C 0.0 {0.150443 0.0686824 0.546753} C236 1468 0.0 -1 1 {} H 0.0 {0.173123 0.0580034 0.529129} H938 1469 0.0 -1 1 {} H 0.0 {0.135783 0.0882957 0.527788} H939 1470 0.0 -1 1 {} H 0.0 {0.159537 0.0845325 0.569828} H940 1471 0.0 -1 1 {} H 0.0 {0.765669 0.576975 0.0967214} H941 1472 0.0 -1 1 {} H 0.0 {0.124571 0.0365566 0.591978} H942 1473 0.0 -1 1 {} H 0.0 {0.0535248 0.0547117 0.595095} H943 1474 0.0 -1 1 {} H 0.0 {0.0643133 0.983422 0.549589} H944 1475 0.0 -1 14 {} Si 0.0 {0.636885 0.923103 0.621912} Si60 1476 0.0 -1 8 {} O 0.0 {0.627811 0.94775 0.675024} O237 1477 0.0 -1 6 {} C 0.0 {0.627682 0.992884 0.695606} C237 1478 0.0 -1 1 {} H 0.0 {0.652821 0.0083565 0.696709} H945 1479 0.0 -1 1 {} H 0.0 {0.610315 0.00668849 0.676612} H946 1480 0.0 -1 1 {} H 0.0 {0.614451 0.992893 0.7242} H947 1481 0.0 -1 8 {} O 0.0 {0.576501 0.911754 0.630081} O238 1482 0.0 -1 6 {} C 0.0 {0.587793 0.874813 0.603002} C238 1483 0.0 -1 1 {} H 0.0 {0.563071 0.871572 0.584384} H948 1484 0.0 -1 1 {} H 0.0 {0.608311 0.879037 0.582505} H949 1485 0.0 -1 1 {} H 0.0 {0.594435 0.851234 0.622215} H950 1486 0.0 -1 8 {} O 0.0 {0.636815 0.977542 0.601519} O239 1487 0.0 -1 6 {} C 0.0 {0.666137 0.955841 0.56733} C239 1488 0.0 -1 1 {} H 0.0 {0.647929 0.952038 0.542105} H951 1489 0.0 -1 1 {} H 0.0 {0.691423 0.97615 0.568899} H952 1490 0.0 -1 1 {} H 0.0 {0.684346 0.931202 0.568579} H953 1491 0.0 -1 8 {} O 0.0 {0.696 0.923578 0.632073} O240 1492 0.0 -1 6 {} C 0.0 {0.679936 0.876796 0.630056} C240 1493 0.0 -1 1 {} H 0.0 {0.690627 0.868404 0.657231} H954 1494 0.0 -1 1 {} H 0.0 {0.65475 0.857637 0.6371} H955 1495 0.0 -1 1 {} H 0.0 {0.691185 0.860939 0.607223} H956 1496 0.0 -1 1 {} H 0.0 {0.841002 0.297797 0.919899} H957 1497 0.0 -1 1 {} H 0.0 {0.692952 0.925394 0.658936} H958 1498 0.0 -1 1 {} H 0.0 {0.602126 0.942482 0.678294} H959 1499 0.0 -1 1 {} H 0.0 {0.571081 0.931948 0.612552} H960 1500 0.0 -1 14 {} Si 0.0 {0.37025 0.819497 0.706248} Si61 1501 0.0 -1 8 {} O 0.0 {0.407168 0.826949 0.664393} O241 1502 0.0 -1 6 {} C 0.0 {0.397314 0.778363 0.654739} C241 1503 0.0 -1 1 {} H 0.0 {0.370932 0.770815 0.646477} H961 1504 0.0 -1 1 {} H 0.0 {0.418998 0.776386 0.635478} H962 1505 0.0 -1 1 {} H 0.0 {0.403348 0.758842 0.677131} H963 1506 0.0 -1 8 {} O 0.0 {0.412012 0.842545 0.738798} O242 1507 0.0 -1 6 {} C 0.0 {0.392017 0.86394 0.779587} C242 1508 0.0 -1 1 {} H 0.0 {0.363013 0.868798 0.772563} H964 1509 0.0 -1 1 {} H 0.0 {0.397234 0.848654 0.802549} H965 1510 0.0 -1 1 {} H 0.0 {0.406982 0.890776 0.782361} H966 1511 0.0 -1 8 {} O 0.0 {0.344973 0.874111 0.704363} O243 1512 0.0 -1 6 {} C 0.0 {0.326882 0.852956 0.663241} C243 1513 0.0 -1 1 {} H 0.0 {0.318748 0.824406 0.659168} H967 1514 0.0 -1 1 {} H 0.0 {0.299241 0.86286 0.668051} H968 1515 0.0 -1 1 {} H 0.0 {0.34059 0.86418 0.640234} H969 1516 0.0 -1 8 {} O 0.0 {0.345559 0.787328 0.750814} O244 1517 0.0 -1 6 {} C 0.0 {0.324846 0.765515 0.713004} C244 1518 0.0 -1 1 {} H 0.0 {0.326793 0.774606 0.68292} H970 1519 0.0 -1 1 {} H 0.0 {0.332652 0.736701 0.712378} H971 1520 0.0 -1 1 {} H 0.0 {0.294136 0.769618 0.719806} H972 1521 0.0 -1 1 {} H 0.0 {0.665345 0.123428 0.864721} H973 1522 0.0 -1 1 {} H 0.0 {0.366063 0.769649 0.75691} H974 1523 0.0 -1 1 {} H 0.0 {0.431739 0.82355 0.677351} H975 1524 0.0 -1 1 {} H 0.0 {0.416929 0.867072 0.723007} H976 1525 0.0 -1 14 {} Si 0.0 {0.746921 0.446208 0.477974} Si62 1526 0.0 -1 8 {} O 0.0 {0.448049 0.445885 0.87403} O245 1527 0.0 -1 6 {} C 0.0 {0.486189 0.440817 0.902444} C245 1528 0.0 -1 1 {} H 0.0 {0.482082 0.458136 0.925905} H977 1529 0.0 -1 1 {} H 0.0 {0.490172 0.411661 0.912319} H978 1530 0.0 -1 1 {} H 0.0 {0.510015 0.444692 0.885743} H979 1531 0.0 -1 8 {} O 0.0 {0.699962 0.464182 0.510086} O246 1532 0.0 -1 6 {} C 0.0 {0.747459 0.469186 0.523806} C246 1533 0.0 -1 1 {} H 0.0 {0.754435 0.448063 0.545391} H980 1534 0.0 -1 1 {} H 0.0 {0.75873 0.496897 0.527633} H981 1535 0.0 -1 1 {} H 0.0 {0.362394 0.235065 0.769585} H982 1536 0.0 -1 8 {} O 0.0 {0.742993 0.469262 0.423956} O247 1537 0.0 -1 6 {} C 0.0 {0.791704 0.475231 0.430662} C247 1538 0.0 -1 1 {} H 0.0 {0.807411 0.481048 0.457703} H983 1539 0.0 -1 1 {} H 0.0 {0.807694 0.453354 0.416532} H984 1540 0.0 -1 1 {} H 0.0 {0.791975 0.505096 0.421349} H985 1541 0.0 -1 8 {} O 0.0 {0.73361 0.387202 0.480639} O248 1542 0.0 -1 6 {} C 0.0 {0.781736 0.387466 0.490405} C248 1543 0.0 -1 1 {} H 0.0 {0.801761 0.411289 0.486855} H986 1544 0.0 -1 1 {} H 0.0 {0.785604 0.380352 0.518215} H987 1545 0.0 -1 1 {} H 0.0 {0.790492 0.366679 0.467623} H988 1546 0.0 -1 1 {} H 0.0 {0.495537 0.686603 0.395093} H989 1547 0.0 -1 1 {} H 0.0 {0.735136 0.376516 0.455765} H990 1548 0.0 -1 1 {} H 0.0 {0.438548 0.472531 0.882089} H991 1549 0.0 -1 1 {} H 0.0 {0.695613 0.438011 0.517865} H992 1550 0.0 -1 14 {} Si 0.0 {0.359986 0.696751 0.818113} Si63 1551 0.0 -1 8 {} O 0.0 {0.307684 0.718667 0.800887} O249 1552 0.0 -1 6 {} C 0.0 {0.265611 0.731353 0.823555} C249 1553 0.0 -1 1 {} H 0.0 {0.250561 0.707328 0.835817} H993 1554 0.0 -1 1 {} H 0.0 {0.278474 0.751865 0.844634} H994 1555 0.0 -1 1 {} H 0.0 {0.248753 0.745955 0.802688} H995 1556 0.0 -1 8 {} O 0.0 {0.331325 0.644353 0.822609} O250 1557 0.0 -1 6 {} C 0.0 {0.364112 0.640447 0.857539} C250 1558 0.0 -1 1 {} H 0.0 {0.355876 0.652735 0.882139} H996 1559 0.0 -1 1 {} H 0.0 {0.361287 0.610231 0.861684} H997 1560 0.0 -1 1 {} H 0.0 {0.393166 0.645756 0.851942} H998 1561 0.0 -1 8 {} O 0.0 {0.379846 0.699844 0.762279} O251 1562 0.0 -1 6 {} C 0.0 {0.422884 0.696596 0.787372} C251 1563 0.0 -1 1 {} H 0.0 {0.431848 0.691299 0.817364} H999 1564 0.0 -1 1 {} H 0.0 {0.433098 0.669174 0.775793} H1000 1565 0.0 -1 1 {} H 0.0 {0.436362 0.719457 0.776167} H1001 1566 0.0 -1 8 {} O 0.0 {0.38718 0.747952 0.828729} O252 1567 0.0 -1 6 {} C 0.0 {0.355909 0.746776 0.867516} C252 1568 0.0 -1 1 {} H 0.0 {0.336751 0.72292 0.876198} H1002 1569 0.0 -1 1 {} H 0.0 {0.374977 0.751328 0.890247} H1003 1570 0.0 -1 1 {} H 0.0 {0.335204 0.767298 0.865964} H1004 1571 0.0 -1 1 {} H 0.0 {0.0869199 0.386305 0.0478386} H1005 1572 0.0 -1 1 {} H 0.0 {0.376625 0.765784 0.810476} H1006 1573 0.0 -1 1 {} H 0.0 {0.318413 0.742444 0.790968} H1007 1574 0.0 -1 1 {} H 0.0 {0.310169 0.649467 0.83847} H1008 1575 0.0 -1 14 {} Si 0.0 {0.795633 0.608672 0.0412862} Si64 1576 0.0 -1 8 {} O 0.0 {0.766293 0.558531 0.0272815} O253 1577 0.0 -1 6 {} C 0.0 {0.786972 0.573426 0.985332} C253 1578 0.0 -1 1 {} H 0.0 {0.763232 0.570481 0.965291} H1009 1579 0.0 -1 1 {} H 0.0 {0.794939 0.600299 0.972067} H1010 1580 0.0 -1 1 {} H 0.0 {0.812633 0.558909 0.980232} H1011 1581 0.0 -1 8 {} O 0.0 {0.760821 0.64999 0.0209321} O254 1582 0.0 -1 6 {} C 0.0 {0.803827 0.673866 0.00891387} C254 1583 0.0 -1 1 {} H 0.0 {0.79168 0.699574 0.018211} H1012 1584 0.0 -1 1 {} H 0.0 {0.832018 0.673364 0.0189335} H1013 1585 0.0 -1 1 {} H 0.0 {0.804704 0.66933 0.979213} H1014 1586 0.0 -1 8 {} O 0.0 {0.763242 0.605151 0.0898559} O255 1587 0.0 -1 6 {} C 0.0 {0.717572 0.611489 0.110397} C255 1588 0.0 -1 1 {} H 0.0 {0.716107 0.599385 0.138974} H1015 1589 0.0 -1 1 {} H 0.0 {0.719133 0.643383 0.105305} H1016 1590 0.0 -1 1 {} H 0.0 {0.69669 0.598243 0.0930389} H1017 1591 0.0 -1 8 {} O 0.0 {0.846547 0.625825 0.0657129} O256 1592 0.0 -1 6 {} C 0.0 {0.866157 0.599395 0.0297452} C256 1593 0.0 -1 1 {} H 0.0 {0.875896 0.617409 0.0084041} H1018 1594 0.0 -1 1 {} H 0.0 {0.892143 0.589857 0.043852} H1019 1595 0.0 -1 1 {} H 0.0 {0.854362 0.57368 0.0182705} H1020 1596 0.0 -1 1 {} H 0.0 {0.861687 0.363163 0.433061} H1021 1597 0.0 -1 1 {} H 0.0 {0.848404 0.650802 0.0564264} H1022 1598 0.0 -1 1 {} H 0.0 {0.742114 0.566531 0.022505} H1023 1599 0.0 -1 1 {} H 0.0 {0.755601 0.660685 0.0454226} H1024 1600 0.0 -1 14 {} Si 0.0 {0.867742 0.234163 0.913291} Si65 1601 0.0 -1 8 {} O 0.0 {0.898745 0.181922 0.917195} O257 1602 0.0 -1 6 {} C 0.0 {0.85399 0.170497 0.934301} C257 1603 0.0 -1 1 {} H 0.0 {0.85668 0.166649 0.964174} H1025 1604 0.0 -1 1 {} H 0.0 {0.826516 0.17767 0.92733} H1026 1605 0.0 -1 1 {} H 0.0 {0.851293 0.138602 0.925003} H1027 1606 0.0 -1 8 {} O 0.0 {0.883634 0.251471 0.860758} O258 1607 0.0 -1 6 {} C 0.0 {0.834281 0.243198 0.851599} C258 1608 0.0 -1 1 {} H 0.0 {0.822933 0.268693 0.839476} H1028 1609 0.0 -1 1 {} H 0.0 {0.832992 0.222093 0.830105} H1029 1610 0.0 -1 1 {} H 0.0 {0.812444 0.233725 0.869646} H1030 1611 0.0 -1 8 {} O 0.0 {0.824449 0.275749 0.91986} O259 1612 0.0 -1 6 {} C 0.0 {0.83463 0.262382 0.966121} C259 1613 0.0 -1 1 {} H 0.0 {0.809092 0.250633 0.975588} H1031 1614 0.0 -1 1 {} H 0.0 {0.859481 0.24674 0.976064} H1032 1615 0.0 -1 1 {} H 0.0 {0.839575 0.289696 0.97632} H1033 1616 0.0 -1 8 {} O 0.0 {0.907521 0.270724 0.937552} O260 1617 0.0 -1 6 {} C 0.0 {0.913221 0.296356 0.978363} C260 1618 0.0 -1 1 {} H 0.0 {0.939697 0.308613 0.981381} H1034 1619 0.0 -1 1 {} H 0.0 {0.893221 0.318794 0.976904} H1035 1620 0.0 -1 1 {} H 0.0 {0.909596 0.279116 0.00421427} H1036 1621 0.0 -1 1 {} H 0.0 {0.781191 0.876976 0.394088} H1037 1622 0.0 -1 1 {} H 0.0 {0.914711 0.286116 0.917982} H1038 1623 0.0 -1 1 {} H 0.0 {0.899255 0.170849 0.892702} H1039 1624 0.0 -1 1 {} H 0.0 {0.882576 0.279885 0.858962} H1040 1625 0.0 -1 14 {} Si 0.0 {0.610958 0.153013 0.889253} Si66 1626 0.0 -1 8 {} O 0.0 {0.559043 0.137725 0.909197} O261 1627 0.0 -1 6 {} C 0.0 {0.570226 0.17403 0.942451} C261 1628 0.0 -1 1 {} H 0.0 {0.59763 0.186528 0.946172} H1041 1629 0.0 -1 1 {} H 0.0 {0.549836 0.197026 0.936761} H1042 1630 0.0 -1 1 {} H 0.0 {0.569932 0.16165 0.969286} H1043 1631 0.0 -1 8 {} O 0.0 {0.616343 0.172525 0.836369} O262 1632 0.0 -1 6 {} C 0.0 {0.635037 0.209716 0.864129} C262 1633 0.0 -1 1 {} H 0.0 {0.619153 0.236716 0.861303} H1044 1634 0.0 -1 1 {} H 0.0 {0.637886 0.212416 0.895359} H1045 1635 0.0 -1 1 {} H 0.0 {0.663756 0.208682 0.857984} H1046 1636 0.0 -1 8 {} O 0.0 {0.646963 0.112798 0.884309} O263 1637 0.0 -1 6 {} C 0.0 {0.663291 0.138193 0.925528} C263 1638 0.0 -1 1 {} H 0.0 {0.691389 0.125796 0.921164} H1047 1639 0.0 -1 1 {} H 0.0 {0.664594 0.169754 0.923284} H1048 1640 0.0 -1 1 {} H 0.0 {0.650841 0.124343 0.950652} H1049 1641 0.0 -1 8 {} O 0.0 {0.756916 0.865732 0.389557} O264 1642 0.0 -1 6 {} C 0.0 {0.774133 0.829013 0.360589} C264 1643 0.0 -1 1 {} H 0.0 {0.781285 0.841396 0.334144} H1050 1644 0.0 -1 1 {} H 0.0 {0.796715 0.816216 0.373813} H1051 1645 0.0 -1 1 {} H 0.0 {0.751634 0.809984 0.355948} H1052 1646 0.0 -1 1 {} H 0.0 {0.764873 0.727384 0.407306} H1053 1647 0.0 -1 1 {} H 0.0 {0.746976 0.881645 0.37057} H1054 1648 0.0 -1 1 {} H 0.0 {0.539751 0.150084 0.894395} H1055 1649 0.0 -1 1 {} H 0.0 {0.591516 0.183326 0.83363} H1056 1650 0.0 -1 14 {} Si 0.0 {0.463257 0.746147 0.400524} Si67 1651 0.0 -1 8 {} O 0.0 {0.44994 0.734103 0.460483} O265 1652 0.0 -1 6 {} C 0.0 {0.410892 0.713485 0.440466} C265 1653 0.0 -1 1 {} H 0.0 {0.395208 0.711435 0.466637} H1057 1654 0.0 -1 1 {} H 0.0 {0.38776 0.728241 0.424483} H1058 1655 0.0 -1 1 {} H 0.0 {0.410729 0.685893 0.432696} H1059 1656 0.0 -1 8 {} O 0.0 {0.497218 0.794712 0.413806} O266 1657 0.0 -1 6 {} C 0.0 {0.459123 0.821904 0.399875} C266 1658 0.0 -1 1 {} H 0.0 {0.43788 0.806848 0.384153} H1060 1659 0.0 -1 1 {} H 0.0 {0.444299 0.837532 0.423736} H1061 1660 0.0 -1 1 {} H 0.0 {0.475253 0.840311 0.381643} H1062 1661 0.0 -1 8 {} O 0.0 {0.504936 0.71264 0.385761} O267 1662 0.0 -1 6 {} C 0.0 {0.531719 0.724849 0.42566} C267 1663 0.0 -1 1 {} H 0.0 {0.553493 0.745733 0.420233} H1063 1664 0.0 -1 1 {} H 0.0 {0.523452 0.731366 0.453852} H1064 1665 0.0 -1 1 {} H 0.0 {0.541802 0.696821 0.428327} H1065 1666 0.0 -1 8 {} O 0.0 {0.424975 0.715778 0.364039} O268 1667 0.0 -1 6 {} C 0.0 {0.455988 0.740936 0.332602} C268 1668 0.0 -1 1 {} H 0.0 {0.438948 0.762795 0.317685} H1066 1669 0.0 -1 1 {} H 0.0 {0.484355 0.750221 0.33314} H1067 1670 0.0 -1 1 {} H 0.0 {0.463562 0.717687 0.315042} H1068 1671 0.0 -1 1 {} H 0.0 {0.309089 0.531164 0.121732} H1069 1672 0.0 -1 1 {} H 0.0 {0.436123 0.691229 0.358288} H1070 1673 0.0 -1 1 {} H 0.0 {0.442466 0.758483 0.465798} H1071 1674 0.0 -1 1 {} H 0.0 {0.511831 0.793923 0.389583} H1072 1675 0.0 -1 14 {} Si 0.0 {0.0193623 0.390155 0.0845693} Si68 1676 0.0 -1 8 {} O 0.0 {0.996802 0.378841 0.0307489} O269 1677 0.0 -1 6 {} C 0.0 {0.955491 0.395272 0.0528718} C269 1678 0.0 -1 1 {} H 0.0 {0.941333 0.373372 0.0674872} H1073 1679 0.0 -1 1 {} H 0.0 {0.952929 0.421222 0.069408} H1074 1680 0.0 -1 1 {} H 0.0 {0.941477 0.400822 0.0268985} H1075 1681 0.0 -1 8 {} O 0.0 {0.0323497 0.345979 0.119942} O270 1682 0.0 -1 6 {} C 0.0 {0.986527 0.355249 0.137474} C270 1683 0.0 -1 1 {} H 0.0 {0.975141 0.327816 0.13362} H1076 1684 0.0 -1 1 {} H 0.0 {0.990708 0.363418 0.165876} H1077 1685 0.0 -1 1 {} H 0.0 {0.965533 0.374346 0.126371} H1078 1686 0.0 -1 8 {} O 0.0 {0.0712782 0.368262 0.0626278} O271 1687 0.0 -1 6 {} C 0.0 {0.0786199 0.327087 0.0385115} C271 1688 0.0 -1 1 {} H 0.0 {0.105517 0.318122 0.0459237} H1079 1689 0.0 -1 1 {} H 0.0 {0.0570611 0.306966 0.0463152} H1080 1690 0.0 -1 1 {} H 0.0 {0.0782032 0.325976 0.00712415} H1081 1691 0.0 -1 8 {} O 0.0 {0.0583962 0.43505 0.0933286} O272 1692 0.0 -1 6 {} C 0.0 {0.0135424 0.450394 0.106715} C272 1693 0.0 -1 1 {} H 0.0 {0.0182627 0.464092 0.133321} H1082 1694 0.0 -1 1 {} H 0.0 {0.0018402 0.46765 0.0854675} H1083 1695 0.0 -1 1 {} H 0.0 {0.989927 0.434928 0.119456} H1084 1696 0.0 -1 1 {} H 0.0 {0.170784 0.416537 0.741441} H1085 1697 0.0 -1 1 {} H 0.0 {0.0681624 0.42943 0.120742} H1086 1698 0.0 -1 1 {} H 0.0 {0.00822775 0.400754 0.0177273} H1087 1699 0.0 -1 1 {} H 0.0 {0.0268662 0.326543 0.0997817} H1088 1700 0.0 -1 14 {} Si 0.0 {0.919362 0.379823 0.401205} Si69 1701 0.0 -1 8 {} O 0.0 {0.9336 0.423423 0.364972} O273 1702 0.0 -1 6 {} C 0.0 {0.951877 0.385429 0.337076} C273 1703 0.0 -1 1 {} H 0.0 {0.934545 0.393694 0.312431} H1089 1704 0.0 -1 1 {} H 0.0 {0.979189 0.392191 0.334152} H1090 1705 0.0 -1 1 {} H 0.0 {0.951441 0.355426 0.337879} H1091 1706 0.0 -1 8 {} O 0.0 {0.910427 0.41673 0.447125} O274 1707 0.0 -1 6 {} C 0.0 {0.937799 0.442732 0.479074} C274 1708 0.0 -1 1 {} H 0.0 {0.948818 0.470184 0.465424} H1092 1709 0.0 -1 1 {} H 0.0 {0.91627 0.450708 0.498447} H1093 1710 0.0 -1 1 {} H 0.0 {0.960871 0.43074 0.491771} H1094 1711 0.0 -1 8 {} O 0.0 {0.862484 0.370369 0.407746} O275 1712 0.0 -1 6 {} C 0.0 {0.88071 0.330709 0.382689} C275 1713 0.0 -1 1 {} H 0.0 {0.869998 0.337386 0.35177} H1095 1714 0.0 -1 1 {} H 0.0 {0.907583 0.317034 0.382734} H1096 1715 0.0 -1 1 {} H 0.0 {0.863302 0.308638 0.396512} H1097 1716 0.0 -1 8 {} O 0.0 {0.931954 0.33542 0.441025} O276 1717 0.0 -1 6 {} C 0.0 {0.976644 0.354965 0.436281} C276 1718 0.0 -1 1 {} H 0.0 {0.995925 0.332014 0.427803} H1098 1719 0.0 -1 1 {} H 0.0 {0.980125 0.376793 0.415673} H1099 1720 0.0 -1 1 {} H 0.0 {0.98351 0.369294 0.463291} H1100 1721 0.0 -1 1 {} H 0.0 {0.557137 0.996235 0.978449} H1101 1722 0.0 -1 1 {} H 0.0 {0.92577 0.346899 0.464443} H1102 1723 0.0 -1 1 {} H 0.0 {0.909902 0.426782 0.351843} H1103 1724 0.0 -1 1 {} H 0.0 {0.894213 0.4373 0.434265} H1104 1725 0.0 -1 14 {} Si 0.0 {0.153827 0.380248 0.163931} Si70 1726 0.0 -1 8 {} O 0.0 {0.204188 0.38833 0.189073} O277 1727 0.0 -1 6 {} C 0.0 {0.172972 0.413111 0.220332} C277 1728 0.0 -1 1 {} H 0.0 {0.184958 0.407981 0.247703} H1105 1729 0.0 -1 1 {} H 0.0 {0.175634 0.44315 0.217649} H1106 1730 0.0 -1 1 {} H 0.0 {0.14301 0.407616 0.226495} H1107 1731 0.0 -1 8 {} O 0.0 {0.134159 0.324039 0.168509} O278 1732 0.0 -1 6 {} C 0.0 {0.091751 0.346309 0.177678} C278 1733 0.0 -1 1 {} H 0.0 {0.0801939 0.374997 0.170841} H1108 1734 0.0 -1 1 {} H 0.0 {0.0711435 0.329805 0.159313} H1109 1735 0.0 -1 1 {} H 0.0 {0.0845399 0.347315 0.206872} H1110 1736 0.0 -1 8 {} O 0.0 {0.109975 0.423668 0.170827} O279 1737 0.0 -1 6 {} C 0.0 {0.0917773 0.459705 0.199616} C279 1738 0.0 -1 1 {} H 0.0 {0.0619577 0.460187 0.191636} H1111 1739 0.0 -1 1 {} H 0.0 {0.0965145 0.457387 0.229823} H1112 1740 0.0 -1 1 {} H 0.0 {0.1009 0.485224 0.189132} H1113 1741 0.0 -1 8 {} O 0.0 {0.184209 0.37673 0.114737} O280 1742 0.0 -1 6 {} C 0.0 {0.157541 0.417444 0.104813} C280 1743 0.0 -1 1 {} H 0.0 {0.132239 0.413209 0.0914799} H1114 1744 0.0 -1 1 {} H 0.0 {0.15621 0.441664 0.124067} H1115 1745 0.0 -1 1 {} H 0.0 {0.176004 0.428752 0.0847789} H1116 1746 0.0 -1 1 {} H 0.0 {0.594085 0.326016 0.202409} H1117 1747 0.0 -1 1 {} H 0.0 {0.208114 0.392848 0.120861} H1118 1748 0.0 -1 1 {} H 0.0 {0.205059 0.364628 0.203479} H1119 1749 0.0 -1 1 {} H 0.0 {0.130229 0.317358 0.142351} H1120 1750 0.0 -1 14 {} Si 0.0 {0.444708 0.862056 0.184978} Si71 1751 0.0 -1 8 {} O 0.0 {0.425503 0.916439 0.173355} O281 1752 0.0 -1 6 {} C 0.0 {0.461643 0.91102 0.13938} C281 1753 0.0 -1 1 {} H 0.0 {0.445066 0.907938 0.113055} H1121 1754 0.0 -1 1 {} H 0.0 {0.479386 0.933739 0.144019} H1122 1755 0.0 -1 1 {} H 0.0 {0.481154 0.889687 0.140086} H1123 1756 0.0 -1 8 {} O 0.0 {0.386491 0.850904 0.179215} O282 1757 0.0 -1 6 {} C 0.0 {0.355496 0.82756 0.149626} C282 1758 0.0 -1 1 {} H 0.0 {0.343572 0.846538 0.129503} H1124 1759 0.0 -1 1 {} H 0.0 {0.368378 0.804558 0.135599} H1125 1760 0.0 -1 1 {} H 0.0 {0.335367 0.813734 0.167965} H1126 1761 0.0 -1 8 {} O 0.0 {0.458326 0.802941 0.178196} O283 1762 0.0 -1 6 {} C 0.0 {0.480065 0.820665 0.137539} C283 1763 0.0 -1 1 {} H 0.0 {0.473615 0.840625 0.115804} H1127 1764 0.0 -1 1 {} H 0.0 {0.512232 0.824512 0.142858} H1128 1765 0.0 -1 1 {} H 0.0 {0.47647 0.794321 0.120689} H1129 1766 0.0 -1 8 {} O 0.0 {0.452657 0.878306 0.2385} O284 1767 0.0 -1 6 {} C 0.0 {0.486561 0.841607 0.23399} C284 1768 0.0 -1 1 {} H 0.0 {0.475605 0.822957 0.255831} H1130 1769 0.0 -1 1 {} H 0.0 {0.501513 0.826301 0.211365} H1131 1770 0.0 -1 1 {} H 0.0 {0.510825 0.856712 0.241365} H1132 1771 0.0 -1 1 {} H 0.0 {0.363499 0.550311 0.154978} H1133 1772 0.0 -1 1 {} H 0.0 {0.435591 0.864583 0.254212} H1134 1773 0.0 -1 1 {} H 0.0 {0.434671 0.923808 0.197891} H1135 1774 0.0 -1 1 {} H 0.0 {0.376874 0.876654 0.181416} H1136 1775 0.0 -1 14 {} Si 0.0 {0.30175 0.482817 0.170115} Si72 1776 0.0 -1 8 {} O 0.0 {0.335517 0.491015 0.214634} O285 1777 0.0 -1 6 {} C 0.0 {0.29326 0.476064 0.237924} C285 1778 0.0 -1 1 {} H 0.0 {0.291282 0.495221 0.260888} H1137 1779 0.0 -1 1 {} H 0.0 {0.262951 0.480109 0.228443} H1138 1780 0.0 -1 1 {} H 0.0 {0.294623 0.44906 0.248165} H1139 1781 0.0 -1 8 {} O 0.0 {0.324347 0.442864 0.134239} O286 1782 0.0 -1 6 {} C 0.0 {0.280192 0.425594 0.14618} C286 1783 0.0 -1 1 {} H 0.0 {0.251063 0.42985 0.158707} H1140 1784 0.0 -1 1 {} H 0.0 {0.265747 0.425456 0.118146} H1141 1785 0.0 -1 1 {} H 0.0 {0.283402 0.398895 0.160226} H1142 1786 0.0 -1 8 {} O 0.0 {0.304649 0.534054 0.150106} O287 1787 0.0 -1 6 {} C 0.0 {0.254538 0.524385 0.151537} C287 1788 0.0 -1 1 {} H 0.0 {0.236097 0.501343 0.141001} H1143 1789 0.0 -1 1 {} H 0.0 {0.245234 0.532592 0.180221} H1144 1790 0.0 -1 1 {} H 0.0 {0.249411 0.543746 0.129904} H1145 1791 0.0 -1 8 {} O 0.0 {0.740569 0.718743 0.409317} O288 1792 0.0 -1 6 {} C 0.0 {0.715353 0.760346 0.412227} C288 1793 0.0 -1 1 {} H 0.0 {0.725715 0.775687 0.435166} H1146 1794 0.0 -1 1 {} H 0.0 {0.715191 0.775377 0.385069} H1147 1795 0.0 -1 1 {} H 0.0 {0.688723 0.749094 0.420188} H1148 1796 0.0 -1 1 {} H 0.0 {0.41672 0.769464 0.249008} H1149 1797 0.0 -1 1 {} H 0.0 {0.738846 0.711117 0.437322} H1150 1798 0.0 -1 1 {} H 0.0 {0.393464 0.545262 0.526091} H1151 1799 0.0 -1 1 {} H 0.0 {0.33997 0.423166 0.145792} H1152 1800 0.0 -1 14 {} Si 0.0 {0.12381 0.46626 0.72915} Si73 1801 0.0 -1 8 {} O 0.0 {0.0757106 0.425069 0.725254} O289 1802 0.0 -1 6 {} C 0.0 {0.0759363 0.472271 0.715228} C289 1803 0.0 -1 1 {} H 0.0 {0.062574 0.496849 0.730012} H1153 1804 0.0 -1 1 {} H 0.0 {0.0706542 0.473364 0.684933} H1154 1805 0.0 -1 1 {} H 0.0 {0.188029 0.137052 0.0894142} H1155 1806 0.0 -1 8 {} O 0.0 {0.142082 0.463752 0.786375} O290 1807 0.0 -1 6 {} C 0.0 {0.140259 0.479853 0.833192} C290 1808 0.0 -1 1 {} H 0.0 {0.112672 0.470025 0.845101} H1156 1809 0.0 -1 1 {} H 0.0 {0.165459 0.469285 0.846592} H1157 1810 0.0 -1 1 {} H 0.0 {0.142597 0.509857 0.831362} H1158 1811 0.0 -1 8 {} O 0.0 {0.161259 0.423384 0.715573} O291 1812 0.0 -1 6 {} C 0.0 {0.137563 0.381739 0.704835} C291 1813 0.0 -1 1 {} H 0.0 {0.122271 0.379737 0.680318} H1159 1814 0.0 -1 1 {} H 0.0 {0.159959 0.361746 0.702548} H1160 1815 0.0 -1 1 {} H 0.0 {0.120446 0.373639 0.730981} H1161 1816 0.0 -1 8 {} O 0.0 {0.151774 0.512274 0.717783} O292 1817 0.0 -1 6 {} C 0.0 {0.177862 0.487427 0.6821} C292 1818 0.0 -1 1 {} H 0.0 {0.183076 0.458982 0.668953} H1162 1819 0.0 -1 1 {} H 0.0 {0.168338 0.502974 0.657624} H1163 1820 0.0 -1 1 {} H 0.0 {0.206018 0.501509 0.688392} H1164 1821 0.0 -1 1 {} H 0.0 {0.494085 0.402011 0.0224669} H1165 1822 0.0 -1 1 {} H 0.0 {0.171923 0.511222 0.737956} H1166 1823 0.0 -1 1 {} H 0.0 {0.0750506 0.425586 0.751369} H1167 1824 0.0 -1 1 {} H 0.0 {0.443036 0.378931 0.0579917} H1168 1825 0.0 -1 14 {} Si 0.0 {0.356319 0.497074 0.502054} Si74 1826 0.0 -1 8 {} O 0.0 {0.377364 0.492164 0.449824} O293 1827 0.0 -1 6 {} C 0.0 {0.401727 0.453119 0.469076} C293 1828 0.0 -1 1 {} H 0.0 {0.425868 0.461028 0.484702} H1169 1829 0.0 -1 1 {} H 0.0 {0.390078 0.427422 0.478597} H1170 1830 0.0 -1 1 {} H 0.0 {0.411815 0.446944 0.440876} H1171 1831 0.0 -1 8 {} O 0.0 {0.296922 0.483795 0.512927} O294 1832 0.0 -1 6 {} C 0.0 {0.320082 0.44601 0.536741} C294 1833 0.0 -1 1 {} H 0.0 {0.31806 0.454229 0.56663} H1172 1834 0.0 -1 1 {} H 0.0 {0.304338 0.421628 0.529023} H1173 1835 0.0 -1 1 {} H 0.0 {0.347313 0.434224 0.530763} H1174 1836 0.0 -1 8 {} O 0.0 {0.403642 0.522354 0.517516} O295 1837 0.0 -1 6 {} C 0.0 {0.395227 0.495366 0.560061} C295 1838 0.0 -1 1 {} H 0.0 {0.393056 0.512911 0.583624} H1175 1839 0.0 -1 1 {} H 0.0 {0.375165 0.473489 0.568192} H1176 1840 0.0 -1 1 {} H 0.0 {0.424578 0.479994 0.560362} H1177 1841 0.0 -1 8 {} O 0.0 {0.339376 0.55149 0.484163} O296 1842 0.0 -1 6 {} C 0.0 {0.324589 0.598945 0.483652} C296 1843 0.0 -1 1 {} H 0.0 {0.351332 0.612513 0.473058} H1178 1844 0.0 -1 1 {} H 0.0 {0.304245 0.597347 0.462414} H1179 1845 0.0 -1 1 {} H 0.0 {0.312684 0.614396 0.507527} H1180 1846 0.0 -1 1 {} H 0.0 {0.929205 0.202888 0.156217} H1181 1847 0.0 -1 1 {} H 0.0 {0.349604 0.547424 0.459592} H1182 1848 0.0 -1 1 {} H 0.0 {0.355503 0.476442 0.435637} H1183 1849 0.0 -1 1 {} H 0.0 {0.295756 0.474084 0.487289} H1184 1850 0.0 -1 14 {} Si 0.0 {0.204332 0.110683 0.155409} Si75 1851 0.0 -1 8 {} O 0.0 {0.189527 0.152179 0.113716} O297 1852 0.0 -1 6 {} C 0.0 {0.156488 0.127745 0.140655} C297 1853 0.0 -1 1 {} H 0.0 {0.143628 0.138776 0.166476} H1185 1854 0.0 -1 1 {} H 0.0 {0.46037 0.115773 0.193156} H1186 1855 0.0 -1 1 {} H 0.0 {0.136362 0.112229 0.124048} H1187 1856 0.0 -1 8 {} O 0.0 {0.235863 0.140937 0.19599} O298 1857 0.0 -1 6 {} C 0.0 {0.206514 0.114266 0.224729} C298 1858 0.0 -1 1 {} H 0.0 {0.194689 0.138498 0.241414} H1188 1859 0.0 -1 1 {} H 0.0 {0.181505 0.105939 0.212612} H1189 1860 0.0 -1 1 {} H 0.0 {0.218425 0.0906745 0.239725} H1190 1861 0.0 -1 8 {} O 0.0 {0.243863 0.0857141 0.119393} O299 1862 0.0 -1 6 {} C 0.0 {0.225172 0.0450329 0.140865} C299 1863 0.0 -1 1 {} H 0.0 {0.196311 0.0395153 0.138151} H1191 1864 0.0 -1 1 {} H 0.0 {0.231754 0.0286441 0.116981} H1192 1865 0.0 -1 1 {} H 0.0 {0.243223 0.0333587 0.161651} H1193 1866 0.0 -1 8 {} O 0.0 {0.550033 0.992382 0.950218} O300 1867 0.0 -1 6 {} C 0.0 {0.544559 0.942866 0.944384} C300 1868 0.0 -1 1 {} H 0.0 {0.529554 0.933355 0.968339} H1194 1869 0.0 -1 1 {} H 0.0 {0.528687 0.933904 0.921733} H1195 1870 0.0 -1 1 {} H 0.0 {0.572904 0.929496 0.946287} H1196 1871 0.0 -1 1 {} H 0.0 {0.717733 0.600251 0.381202} H1197 1872 0.0 -1 1 {} H 0.0 {0.52372 0.000731381 0.954492} H1198 1873 0.0 -1 1 {} H 0.0 {0.388566 0.572614 0.593909} H1199 1874 0.0 -1 1 {} H 0.0 {0.335281 0.518636 0.219705} H1200 1875 0.0 -1 14 {} Si 0.0 {0.615086 0.767281 0.513046} Si76 1876 0.0 -1 8 {} O 0.0 {0.571037 0.787379 0.547158} O301 1877 0.0 -1 6 {} C 0.0 {0.550229 0.74434 0.53336} C301 1878 0.0 -1 1 {} H 0.0 {0.548354 0.732741 0.505112} H1201 1879 0.0 -1 1 {} H 0.0 {0.558003 0.723713 0.555703} H1202 1880 0.0 -1 1 {} H 0.0 {0.519856 0.746658 0.536381} H1203 1881 0.0 -1 8 {} O 0.0 {0.670819 0.777466 0.533312} O302 1882 0.0 -1 6 {} C 0.0 {0.647452 0.819298 0.543514} C302 1883 0.0 -1 1 {} H 0.0 {0.620044 0.833779 0.535228} H1204 1884 0.0 -1 1 {} H 0.0 {0.642661 0.823217 0.573117} H1205 1885 0.0 -1 1 {} H 0.0 {0.667351 0.836645 0.528229} H1206 1886 0.0 -1 8 {} O 0.0 {0.61235 0.712242 0.52441} O303 1887 0.0 -1 6 {} C 0.0 {0.610784 0.693085 0.568638} C303 1888 0.0 -1 1 {} H 0.0 {0.596906 0.708813 0.585975} H1207 1889 0.0 -1 1 {} H 0.0 {0.594583 0.667796 0.567731} H1208 1890 0.0 -1 1 {} H 0.0 {0.641063 0.691145 0.578613} H1209 1891 0.0 -1 8 {} O 0.0 {0.611942 0.760363 0.453436} O304 1892 0.0 -1 6 {} C 0.0 {0.59153 0.805156 0.460764} C304 1893 0.0 -1 1 {} H 0.0 {0.562767 0.810046 0.471411} H1210 1894 0.0 -1 1 {} H 0.0 {0.610718 0.828356 0.461672} H1211 1895 0.0 -1 1 {} H 0.0 {0.578817 0.805418 0.433586} H1212 1896 0.0 -1 1 {} H 0.0 {0.323157 0.900668 0.408036} H1213 1897 0.0 -1 1 {} H 0.0 {0.636795 0.769636 0.442868} H1214 1898 0.0 -1 1 {} H 0.0 {0.577971 0.779967 0.573818} H1215 1899 0.0 -1 1 {} H 0.0 {0.666966 0.765061 0.556435} H1216 1900 0.0 -1 14 {} Si 0.0 {0.58043 0.464476 0.682058} Si77 1901 0.0 -1 8 {} O 0.0 {0.567655 0.42209 0.719393} O305 1902 0.0 -1 6 {} C 0.0 {0.600936 0.399415 0.689414} C305 1903 0.0 -1 1 {} H 0.0 {0.578385 0.374785 0.68254} H1217 1904 0.0 -1 1 {} H 0.0 {0.617625 0.406038 0.666159} H1218 1905 0.0 -1 1 {} H 0.0 {0.618952 0.387444 0.710256} H1219 1906 0.0 -1 8 {} O 0.0 {0.622682 0.458201 0.639028} O306 1907 0.0 -1 6 {} C 0.0 {0.638366 0.431754 0.601922} C306 1908 0.0 -1 1 {} H 0.0 {0.654428 0.446295 0.58018} H1220 1909 0.0 -1 1 {} H 0.0 {0.653639 0.409969 0.616622} H1221 1910 0.0 -1 1 {} H 0.0 {0.61578 0.418949 0.58775} H1222 1911 0.0 -1 8 {} O 0.0 {0.525311 0.473374 0.664588} O307 1912 0.0 -1 6 {} C 0.0 {0.547902 0.471422 0.619652} C307 1913 0.0 -1 1 {} H 0.0 {0.524411 0.472465 0.599627} H1223 1914 0.0 -1 1 {} H 0.0 {0.559868 0.495635 0.614616} H1224 1915 0.0 -1 1 {} H 0.0 {0.562296 0.446623 0.611016} H1225 1916 0.0 -1 8 {} O 0.0 {0.580569 0.51376 0.714137} O308 1917 0.0 -1 6 {} C 0.0 {0.628343 0.506775 0.713207} C308 1918 0.0 -1 1 {} H 0.0 {0.64309 0.524447 0.692431} H1226 1919 0.0 -1 1 {} H 0.0 {0.63501 0.509529 0.742003} H1227 1920 0.0 -1 1 {} H 0.0 {0.63428 0.477702 0.706558} H1228 1921 0.0 -1 1 {} H 0.0 {0.292097 0.339968 0.357201} H1229 1922 0.0 -1 1 {} H 0.0 {0.573979 0.502277 0.740419} H1230 1923 0.0 -1 1 {} H 0.0 {0.543588 0.412371 0.705604} H1231 1924 0.0 -1 1 {} H 0.0 {0.642172 0.453247 0.657127} H1232 1925 0.0 -1 14 {} Si 0.0 {0.464975 0.1656 0.838114} Si78 1926 0.0 -1 8 {} O 0.0 {0.415643 0.139021 0.856064} O309 1927 0.0 -1 6 {} C 0.0 {0.377124 0.168997 0.850151} C309 1928 0.0 -1 1 {} H 0.0 {0.378122 0.192744 0.871337} H1233 1929 0.0 -1 1 {} H 0.0 {0.377159 0.178867 0.821944} H1234 1930 0.0 -1 1 {} H 0.0 {0.351341 0.156761 0.859114} H1235 1931 0.0 -1 8 {} O 0.0 {0.439892 0.173263 0.787652} O310 1932 0.0 -1 6 {} C 0.0 {0.474968 0.208578 0.782892} C310 1933 0.0 -1 1 {} H 0.0 {0.47743 0.234828 0.79546} H1236 1934 0.0 -1 1 {} H 0.0 {0.505369 0.199387 0.782031} H1237 1935 0.0 -1 1 {} H 0.0 {0.465698 0.216356 0.754358} H1238 1936 0.0 -1 8 {} O 0.0 {0.472262 0.184904 0.895213} O311 1937 0.0 -1 6 {} C 0.0 {0.496647 0.219355 0.870753} C311 1938 0.0 -1 1 {} H 0.0 {0.480512 0.244749 0.873647} H1239 1939 0.0 -1 1 {} H 0.0 {0.523763 0.221288 0.883324} H1240 1940 0.0 -1 1 {} H 0.0 {0.504347 0.214807 0.842876} H1241 1941 0.0 -1 8 {} O 0.0 {0.490715 0.114323 0.849366} O312 1942 0.0 -1 6 {} C 0.0 {0.520898 0.129776 0.812662} C312 1943 0.0 -1 1 {} H 0.0 {0.54709 0.139707 0.825329} H1242 1944 0.0 -1 1 {} H 0.0 {0.521089 0.108043 0.790187} H1243 1945 0.0 -1 1 {} H 0.0 {0.511636 0.153607 0.800252} H1244 1946 0.0 -1 1 {} H 0.0 {0.628224 0.598112 0.873219} H1245 1947 0.0 -1 1 {} H 0.0 {0.507694 0.118928 0.87235} H1246 1948 0.0 -1 1 {} H 0.0 {0.415522 0.141378 0.883202} H1247 1949 0.0 -1 1 {} H 0.0 {0.41817 0.187517 0.791941} H1248 1950 0.0 -1 14 {} Si 0.0 {0.517356 0.705786 0.655197} Si79 1951 0.0 -1 8 {} O 0.0 {0.551418 0.755887 0.651566} O313 1952 0.0 -1 6 {} C 0.0 {0.510181 0.77705 0.664225} C313 1953 0.0 -1 1 {} H 0.0 {0.509532 0.787069 0.692763} H1249 1954 0.0 -1 1 {} H 0.0 {0.509619 0.797019 0.639847} H1250 1955 0.0 -1 1 {} H 0.0 {0.48107 0.768348 0.662672} H1251 1956 0.0 -1 8 {} O 0.0 {0.524674 0.665165 0.699377} O314 1957 0.0 -1 6 {} C 0.0 {0.494974 0.695182 0.724275} C314 1958 0.0 -1 1 {} H 0.0 {0.479473 0.712736 0.706235} H1252 1959 0.0 -1 1 {} H 0.0 {0.477088 0.676079 0.735847} H1253 1960 0.0 -1 1 {} H 0.0 {0.509227 0.709938 0.747307} H1254 1961 0.0 -1 8 {} O 0.0 {0.491826 0.706339 0.604253} O315 1962 0.0 -1 6 {} C 0.0 {0.45384 0.700587 0.636746} C315 1963 0.0 -1 1 {} H 0.0 {0.448848 0.713751 0.663521} H1255 1964 0.0 -1 1 {} H 0.0 {0.436954 0.719443 0.622492} H1256 1965 0.0 -1 1 {} H 0.0 {0.446025 0.671372 0.64163} H1257 1966 0.0 -1 8 {} O 0.0 {0.561002 0.678752 0.631864} O316 1967 0.0 -1 6 {} C 0.0 {0.593842 0.650459 0.654573} C316 1968 0.0 -1 1 {} H 0.0 {0.580493 0.629958 0.672327} H1258 1969 0.0 -1 1 {} H 0.0 {0.607288 0.635296 0.629901} H1259 1970 0.0 -1 1 {} H 0.0 {0.618199 0.664952 0.665477} H1260 1971 0.0 -1 1 {} H 0.0 {0.699797 0.554612 0.244247} H1261 1972 0.0 -1 1 {} H 0.0 {0.550736 0.659265 0.612658} H1262 1973 0.0 -1 1 {} H 0.0 {0.553007 0.760746 0.622983} H1263 1974 0.0 -1 1 {} H 0.0 {0.550024 0.673809 0.711309} H1264 1975 0.0 -1 14 {} Si 0.0 {0.240754 0.357215 0.646665} Si80 1976 0.0 -1 8 {} O 0.0 {0.190091 0.382098 0.626074} O317 1977 0.0 -1 6 {} C 0.0 {0.176227 0.389475 0.57975} C317 1978 0.0 -1 1 {} H 0.0 {0.148544 0.398439 0.581017} H1265 1979 0.0 -1 1 {} H 0.0 {0.190797 0.411341 0.568129} H1266 1980 0.0 -1 1 {} H 0.0 {0.178353 0.366263 0.561735} H1267 1981 0.0 -1 8 {} O 0.0 {0.193508 0.320047 0.658552} O318 1982 0.0 -1 6 {} C 0.0 {0.223108 0.290273 0.634887} C318 1983 0.0 -1 1 {} H 0.0 {0.253524 0.293807 0.635819} H1268 1984 0.0 -1 1 {} H 0.0 {0.22758 0.265954 0.653052} H1269 1985 0.0 -1 1 {} H 0.0 {0.21382 0.283042 0.607429} H1270 1986 0.0 -1 8 {} O 0.0 {0.265928 0.395549 0.611025} O319 1987 0.0 -1 6 {} C 0.0 {0.294237 0.355878 0.603601} C319 1988 0.0 -1 1 {} H 0.0 {0.280436 0.339937 0.581471} H1271 1989 0.0 -1 1 {} H 0.0 {0.31846 0.366618 0.591331} H1272 1990 0.0 -1 1 {} H 0.0 {0.305216 0.34013 0.623837} H1273 1991 0.0 -1 8 {} O 0.0 {0.246071 0.395573 0.690279} O320 1992 0.0 -1 6 {} C 0.0 {0.257058 0.351691 0.710595} C320 1993 0.0 -1 1 {} H 0.0 {0.236163 0.350042 0.733054} H1274 1994 0.0 -1 1 {} H 0.0 {0.256734 0.321988 0.701503} H1275 1995 0.0 -1 1 {} H 0.0 {0.285935 0.350434 0.718921} H1276 1996 0.0 -1 1 {} H 0.0 {0.546826 0.383264 0.254419} H1277 1997 0.0 -1 1 {} H 0.0 {0.221894 0.400712 0.699789} H1278 1998 0.0 -1 1 {} H 0.0 {0.195692 0.410512 0.629923} H1279 1999 0.0 -1 1 {} H 0.0 {0.181019 0.33127 0.637394} H1280 2000 0.0 -1 14 {} Si 0.0 {0.305789 0.842948 0.375891} Si81 2001 0.0 -1 8 {} O 0.0 {0.275466 0.877893 0.336951} O321 2002 0.0 -1 6 {} C 0.0 {0.253272 0.919424 0.344854} C321 2003 0.0 -1 1 {} H 0.0 {0.226093 0.910324 0.357475} H1281 2004 0.0 -1 1 {} H 0.0 {0.268612 0.936784 0.365095} H1282 2005 0.0 -1 1 {} H 0.0 {0.247263 0.935277 0.321906} H1283 2006 0.0 -1 8 {} O 0.0 {0.343467 0.835559 0.334102} O322 2007 0.0 -1 6 {} C 0.0 {0.359615 0.798279 0.364048} C322 2008 0.0 -1 1 {} H 0.0 {0.349191 0.772931 0.349314} H1284 2009 0.0 -1 1 {} H 0.0 {0.389659 0.806256 0.357492} H1285 2010 0.0 -1 1 {} H 0.0 {0.35628 0.790654 0.393281} H1286 2011 0.0 -1 8 {} O 0.0 {0.339542 0.881546 0.404575} O323 2012 0.0 -1 6 {} C 0.0 {0.326272 0.85159 0.442967} C323 2013 0.0 -1 1 {} H 0.0 {0.345502 0.863001 0.460905} H1287 2014 0.0 -1 1 {} H 0.0 {0.297845 0.851621 0.45516} H1288 2015 0.0 -1 1 {} H 0.0 {0.335406 0.822345 0.445561} H1289 2016 0.0 -1 8 {} O 0.0 {0.279961 0.789173 0.361733} O324 2017 0.0 -1 6 {} C 0.0 {0.242158 0.818887 0.373221} C324 2018 0.0 -1 1 {} H 0.0 {0.245107 0.844159 0.38899} H1290 2019 0.0 -1 1 {} H 0.0 {0.22659 0.824903 0.351022} H1291 2020 0.0 -1 1 {} H 0.0 {0.227859 0.80097 0.394773} H1292 2021 0.0 -1 1 {} H 0.0 {0.688234 0.0539815 0.0648101} H1293 2022 0.0 -1 1 {} H 0.0 {0.275334 0.787172 0.335799} H1294 2023 0.0 -1 1 {} H 0.0 {0.295445 0.886217 0.319248} H1295 2024 0.0 -1 1 {} H 0.0 {0.364868 0.857742 0.342884} H1296 2025 0.0 -1 14 {} Si 0.0 {0.330361 0.277542 0.37615} Si82 2026 0.0 -1 8 {} O 0.0 {0.274994 0.252572 0.372681} O325 2027 0.0 -1 6 {} C 0.0 {0.237868 0.240527 0.342488} C325 2028 0.0 -1 1 {} H 0.0 {0.209002 0.239408 0.352335} H1297 2029 0.0 -1 1 {} H 0.0 {0.238669 0.264636 0.319887} H1298 2030 0.0 -1 1 {} H 0.0 {0.241926 0.215251 0.328736} H1299 2031 0.0 -1 8 {} O 0.0 {0.355464 0.224338 0.386669} O326 2032 0.0 -1 6 {} C 0.0 {0.37898 0.243236 0.347251} C326 2033 0.0 -1 1 {} H 0.0 {0.408386 0.242279 0.355979} H1300 2034 0.0 -1 1 {} H 0.0 {0.370568 0.226626 0.324175} H1301 2035 0.0 -1 1 {} H 0.0 {0.380688 0.273358 0.339947} H1302 2036 0.0 -1 8 {} O 0.0 {0.318011 0.331748 0.356222} O327 2037 0.0 -1 6 {} C 0.0 {0.317184 0.304146 0.315059} C327 2038 0.0 -1 1 {} H 0.0 {0.309056 0.274805 0.307397} H1303 2039 0.0 -1 1 {} H 0.0 {0.294238 0.316999 0.30285} H1304 2040 0.0 -1 1 {} H 0.0 {0.344262 0.30665 0.299304} H1305 2041 0.0 -1 8 {} O 0.0 {0.330681 0.302914 0.42898} O328 2042 0.0 -1 6 {} C 0.0 {0.363257 0.333844 0.407038} C328 2043 0.0 -1 1 {} H 0.0 {0.386276 0.33125 0.425454} H1306 2044 0.0 -1 1 {} H 0.0 {0.376897 0.333684 0.380089} H1307 2045 0.0 -1 1 {} H 0.0 {0.347634 0.358723 0.407344} H1308 2046 0.0 -1 1 {} H 0.0 {0.948046 0.331797 0.267459} H1309 2047 0.0 -1 1 {} H 0.0 {0.30804 0.31768 0.428168} H1310 2048 0.0 -1 1 {} H 0.0 {0.283526 0.226834 0.381879} H1311 2049 0.0 -1 1 {} H 0.0 {0.376319 0.229369 0.405455} H1312 2050 0.0 -1 14 {} Si 0.0 {0.612416 0.614707 0.811295} Si83 2051 0.0 -1 8 {} O 0.0 {0.317865 0.224751 0.129177} O329 2052 0.0 -1 6 {} C 0.0 {0.362228 0.211875 0.110708} C329 2053 0.0 -1 1 {} H 0.0 {0.363601 0.225863 0.0835548} H1313 2054 0.0 -1 1 {} H 0.0 {0.379483 0.225517 0.130745} H1314 2055 0.0 -1 1 {} H 0.0 {0.366136 0.182315 0.111333} H1315 2056 0.0 -1 8 {} O 0.0 {0.598477 0.653163 0.828786} O330 2057 0.0 -1 6 {} C 0.0 {0.551999 0.64428 0.815604} C330 2058 0.0 -1 1 {} H 0.0 {0.538565 0.636187 0.840487} H1316 2059 0.0 -1 1 {} H 0.0 {0.546202 0.673054 0.805185} H1317 2060 0.0 -1 1 {} H 0.0 {0.548979 0.622706 0.792528} H1318 2061 0.0 -1 8 {} O 0.0 {0.63928 0.588811 0.853563} O331 2062 0.0 -1 6 {} C 0.0 {0.606843 0.551129 0.844001} C331 2063 0.0 -1 1 {} H 0.0 {0.579964 0.556401 0.831079} H1319 2064 0.0 -1 1 {} H 0.0 {0.622003 0.532318 0.825968} H1320 2065 0.0 -1 1 {} H 0.0 {0.602956 0.536948 0.871414} H1321 2066 0.0 -1 8 {} O 0.0 {0.65444 0.628044 0.776046} O332 2067 0.0 -1 6 {} C 0.0 {0.629195 0.599505 0.744394} C332 2068 0.0 -1 1 {} H 0.0 {0.608965 0.581425 0.754763} H1322 2069 0.0 -1 1 {} H 0.0 {0.615569 0.615346 0.725008} H1323 2070 0.0 -1 1 {} H 0.0 {0.651133 0.581577 0.733444} H1324 2071 0.0 -1 1 {} H 0.0 {0.859838 0.410298 0.867565} H1325 2072 0.0 -1 1 {} H 0.0 {0.648921 0.653278 0.764878} H1326 2073 0.0 -1 1 {} H 0.0 {0.322271 0.211757 0.155225} H1327 2074 0.0 -1 1 {} H 0.0 {0.592165 0.665465 0.904537} H1328 2075 0.0 -1 14 {} Si 0.0 {0.653516 0.566817 0.199422} Si84 2076 0.0 -1 8 {} O 0.0 {0.636188 0.550358 0.234908} O333 2077 0.0 -1 6 {} C 0.0 {0.61714 0.506276 0.23428} C333 2078 0.0 -1 1 {} H 0.0 {0.589675 0.504536 0.225544} H1329 2079 0.0 -1 1 {} H 0.0 {0.630202 0.48647 0.216753} H1330 2080 0.0 -1 1 {} H 0.0 {0.619735 0.495106 0.262844} H1331 2081 0.0 -1 8 {} O 0.0 {0.641641 0.622773 0.208159} O334 2082 0.0 -1 6 {} C 0.0 {0.607232 0.614391 0.172923} C334 2083 0.0 -1 1 {} H 0.0 {0.602799 0.585664 0.160016} H1332 2084 0.0 -1 1 {} H 0.0 {0.583378 0.624852 0.187613} H1333 2085 0.0 -1 1 {} H 0.0 {0.618417 0.631339 0.150941} H1334 2086 0.0 -1 8 {} O 0.0 {0.70282 0.569866 0.225219} O335 2087 0.0 -1 6 {} C 0.0 {0.748212 0.560695 0.206882} C335 2088 0.0 -1 1 {} H 0.0 {0.757099 0.530899 0.201267} H1335 2089 0.0 -1 1 {} H 0.0 {0.747933 0.573779 0.180836} H1336 2090 0.0 -1 1 {} H 0.0 {0.768505 0.579457 0.223834} H1337 2091 0.0 -1 8 {} O 0.0 {0.668192 0.518748 0.162508} O336 2092 0.0 -1 6 {} C 0.0 {0.652669 0.548164 0.127409} C336 2093 0.0 -1 1 {} H 0.0 {0.676646 0.551924 0.109865} H1338 2094 0.0 -1 1 {} H 0.0 {0.629807 0.532878 0.113351} H1339 2095 0.0 -1 1 {} H 0.0 {0.643585 0.577363 0.129136} H1340 2096 0.0 -1 1 {} H 0.0 {0.666474 0.334176 0.916577} H1341 2097 0.0 -1 1 {} H 0.0 {0.69458 0.520998 0.15836} H1342 2098 0.0 -1 1 {} H 0.0 {0.616587 0.559831 0.281544} H1343 2099 0.0 -1 1 {} H 0.0 {0.624009 0.621551 0.230828} H1344 2100 0.0 -1 14 {} Si 0.0 {0.612783 0.389256 0.226653} Si85 2101 0.0 -1 8 {} O 0.0 {0.62501 0.37526 0.26601} O337 2102 0.0 -1 6 {} C 0.0 {0.649349 0.398829 0.298955} C337 2103 0.0 -1 1 {} H 0.0 {0.65392 0.377567 0.318123} H1345 2104 0.0 -1 1 {} H 0.0 {0.675686 0.407786 0.290866} H1346 2105 0.0 -1 1 {} H 0.0 {0.633054 0.419128 0.313575} H1347 2106 0.0 -1 8 {} O 0.0 {0.607585 0.346313 0.187948} O338 2107 0.0 -1 6 {} C 0.0 {0.585262 0.33985 0.145134} C338 2108 0.0 -1 1 {} H 0.0 {0.58165 0.311423 0.135293} H1348 2109 0.0 -1 1 {} H 0.0 {0.558625 0.349805 0.15484} H1349 2110 0.0 -1 1 {} H 0.0 {0.597058 0.360903 0.124825} H1350 2111 0.0 -1 8 {} O 0.0 {0.553198 0.387558 0.228678} O339 2112 0.0 -1 6 {} C 0.0 {0.56419 0.436437 0.232041} C339 2113 0.0 -1 1 {} H 0.0 {0.564639 0.450231 0.202726} H1351 2114 0.0 -1 1 {} H 0.0 {0.538268 0.444787 0.245264} H1352 2115 0.0 -1 1 {} H 0.0 {0.586828 0.447293 0.251943} H1353 2116 0.0 -1 8 {} O 0.0 {0.670779 0.398212 0.206079} O340 2117 0.0 -1 6 {} C 0.0 {0.645361 0.423144 0.172457} C340 2118 0.0 -1 1 {} H 0.0 {0.641694 0.407218 0.145926} H1354 2119 0.0 -1 1 {} H 0.0 {0.617722 0.435835 0.17524} H1355 2120 0.0 -1 1 {} H 0.0 {0.661113 0.449764 0.169145} H1356 2121 0.0 -1 1 {} H 0.0 {0.30998 0.709831 0.594218} H1357 2122 0.0 -1 1 {} H 0.0 {0.676307 0.373515 0.194139} H1358 2123 0.0 -1 1 {} H 0.0 {0.229233 0.0857515 0.0929408} H1359 2124 0.0 -1 1 {} H 0.0 {0.223394 0.162706 0.196474} H1360 2125 0.0 -1 14 {} Si 0.0 {0.653154 0.0224333 0.0104801} Si86 2126 0.0 -1 8 {} O 0.0 {0.604266 0.0460752 0.0353028} O341 2127 0.0 -1 6 {} C 0.0 {0.592687 0.0898541 0.055114} C341 2128 0.0 -1 1 {} H 0.0 {0.609429 0.110483 0.0379508} H1361 2129 0.0 -1 1 {} H 0.0 {0.562515 0.0904262 0.0514406} H1362 2130 0.0 -1 1 {} H 0.0 {0.597498 0.0899539 0.0841162} H1363 2131 0.0 -1 8 {} O 0.0 {0.672049 0.0720463 0.988343} O342 2132 0.0 -1 6 {} C 0.0 {0.633582 0.0624701 0.958372} C342 2133 0.0 -1 1 {} H 0.0 {0.620119 0.0883518 0.964996} H1364 2134 0.0 -1 1 {} H 0.0 {0.649162 0.0631101 0.933418} H1365 2135 0.0 -1 1 {} H 0.0 {0.612754 0.0411014 0.95483} H1366 2136 0.0 -1 8 {} O 0.0 {0.688593 0.0279485 0.0587694} O343 2137 0.0 -1 6 {} C 0.0 {0.720708 0.0291177 0.0214285} C343 2138 0.0 -1 1 {} H 0.0 {0.737587 0.00548622 0.0199121} H1367 2139 0.0 -1 1 {} H 0.0 {0.714738 0.0322965 0.993384} H1368 2140 0.0 -1 1 {} H 0.0 {0.73172 0.0556349 0.0290455} H1369 2141 0.0 -1 8 {} O 0.0 {0.633164 0.967932 0.0265008} O344 2142 0.0 -1 6 {} C 0.0 {0.64573 0.960797 0.978867} C344 2143 0.0 -1 1 {} H 0.0 {0.625138 0.942293 0.967523} H1370 2144 0.0 -1 1 {} H 0.0 {0.650856 0.985122 0.960441} H1371 2145 0.0 -1 1 {} H 0.0 {0.669167 0.942742 0.985382} H1372 2146 0.0 -1 1 {} H 0.0 {0.188932 0.161981 0.333782} H1373 2147 0.0 -1 1 {} H 0.0 {0.606229 0.976516 0.0224892} H1374 2148 0.0 -1 1 {} H 0.0 {0.594931 0.0281155 0.0549469} H1375 2149 0.0 -1 1 {} H 0.0 {0.661469 0.0916079 0.00713618} H1376 2150 0.0 -1 14 {} Si 0.0 {0.986166 0.273065 0.265486} Si87 2151 0.0 -1 8 {} O 0.0 {0.00284365 0.301829 0.313277} O345 2152 0.0 -1 6 {} C 0.0 {0.0300214 0.260187 0.318812} C345 2153 0.0 -1 1 {} H 0.0 {0.0235077 0.250358 0.34614} H1377 2154 0.0 -1 1 {} H 0.0 {0.0233698 0.235514 0.301783} H1378 2155 0.0 -1 1 {} H 0.0 {0.0585588 0.269758 0.316836} H1379 2156 0.0 -1 8 {} O 0.0 {0.945433 0.232099 0.276503} O346 2157 0.0 -1 6 {} C 0.0 {0.984097 0.201307 0.262714} C346 2158 0.0 -1 1 {} H 0.0 {0.0126521 0.206394 0.264522} H1380 2159 0.0 -1 1 {} H 0.0 {0.982707 0.181525 0.285403} H1381 2160 0.0 -1 1 {} H 0.0 {0.976035 0.19513 0.234977} H1382 2161 0.0 -1 8 {} O 0.0 {0.938766 0.305816 0.274521} O347 2162 0.0 -1 6 {} C 0.0 {0.899886 0.301383 0.244656} C347 2163 0.0 -1 1 {} H 0.0 {0.877166 0.319165 0.250302} H1383 2164 0.0 -1 1 {} H 0.0 {0.910522 0.308855 0.218902} H1384 2165 0.0 -1 1 {} H 0.0 {0.889737 0.274265 0.24533} H1385 2166 0.0 -1 8 {} O 0.0 {0.00685175 0.313999 0.228662} O348 2167 0.0 -1 6 {} C 0.0 {0.0320846 0.275589 0.212498} C348 2168 0.0 -1 1 {} H 0.0 {0.0565034 0.272814 0.230451} H1386 2169 0.0 -1 1 {} H 0.0 {0.0191824 0.249164 0.203487} H1387 2170 0.0 -1 1 {} H 0.0 {0.0426364 0.286241 0.186725} H1388 2171 0.0 -1 1 {} H 0.0 {0.735665 0.677867 0.935603} H1389 2172 0.0 -1 1 {} H 0.0 {0.988955 0.311133 0.2061} H1390 2173 0.0 -1 1 {} H 0.0 {0.981967 0.294315 0.327147} H1391 2174 0.0 -1 1 {} H 0.0 {0.947921 0.23026 0.303577} H1392 2175 0.0 -1 14 {} Si 0.0 {0.851358 0.419794 0.936737} Si88 2176 0.0 -1 8 {} O 0.0 {0.910457 0.427509 0.938747} O349 2177 0.0 -1 6 {} C 0.0 {0.933676 0.394836 0.910642} C349 2178 0.0 -1 1 {} H 0.0 {0.923079 0.366472 0.92021} H1393 2179 0.0 -1 1 {} H 0.0 {0.927539 0.396852 0.880473} H1394 2180 0.0 -1 1 {} H 0.0 {0.963964 0.396845 0.917264} H1395 2181 0.0 -1 8 {} O 0.0 {0.860768 0.456108 0.983651} O350 2182 0.0 -1 6 {} C 0.0 {0.811587 0.451831 0.974826} C350 2183 0.0 -1 1 {} H 0.0 {0.803356 0.481044 0.970637} H1396 2184 0.0 -1 1 {} H 0.0 {0.797908 0.425488 0.967465} H1397 2185 0.0 -1 1 {} H 0.0 {0.80257 0.444901 0.00398308} H1398 2186 0.0 -1 8 {} O 0.0 {0.862229 0.434681 0.878927} O351 2187 0.0 -1 6 {} C 0.0 {0.813622 0.441503 0.883715} C351 2188 0.0 -1 1 {} H 0.0 {0.797497 0.418483 0.871443} H1399 2189 0.0 -1 1 {} H 0.0 {0.795255 0.448075 0.905365} H1400 2190 0.0 -1 1 {} H 0.0 {0.810594 0.467865 0.871579} H1401 2191 0.0 -1 8 {} O 0.0 {0.862738 0.360826 0.941476} O352 2192 0.0 -1 6 {} C 0.0 {0.815243 0.360459 0.950748} C352 2193 0.0 -1 1 {} H 0.0 {0.808869 0.331661 0.953522} H1402 2194 0.0 -1 1 {} H 0.0 {0.804441 0.370334 0.979163} H1403 2195 0.0 -1 1 {} H 0.0 {0.796203 0.362576 0.928446} H1404 2196 0.0 -1 1 {} H 0.0 {0.564105 0.949978 0.419002} H1405 2197 0.0 -1 1 {} H 0.0 {0.862483 0.358206 0.914393} H1406 2198 0.0 -1 1 {} H 0.0 {0.918176 0.415154 0.962836} H1407 2199 0.0 -1 1 {} H 0.0 {0.865602 0.474527 0.964532} H1408 2200 0.0 -1 14 {} Si 0.0 {0.691768 0.367452 0.971949} Si89 2201 0.0 -1 8 {} O 0.0 {0.725619 0.413604 0.946781} O353 2202 0.0 -1 6 {} C 0.0 {0.723391 0.429011 0.994171} C353 2203 0.0 -1 1 {} H 0.0 {0.703549 0.417047 0.0125374} H1409 2204 0.0 -1 1 {} H 0.0 {0.750232 0.420444 0.00500216} H1410 2205 0.0 -1 1 {} H 0.0 {0.714778 0.45595 0.990071} H1411 2206 0.0 -1 8 {} O 0.0 {0.632793 0.3592 0.968684} O354 2207 0.0 -1 6 {} C 0.0 {0.640152 0.396035 0.00101742} C354 2208 0.0 -1 1 {} H 0.0 {0.643937 0.424383 0.992342} H1412 2209 0.0 -1 1 {} H 0.0 {0.611676 0.398444 0.0174234} H1413 2210 0.0 -1 1 {} H 0.0 {0.654174 0.389376 0.0280332} H1414 2211 0.0 -1 8 {} O 0.0 {0.690897 0.350869 0.91618} O355 2212 0.0 -1 6 {} C 0.0 {0.679805 0.387016 0.884106} C355 2213 0.0 -1 1 {} H 0.0 {0.659937 0.39867 0.900762} H1415 2214 0.0 -1 1 {} H 0.0 {0.70343 0.405904 0.880467} H1416 2215 0.0 -1 1 {} H 0.0 {0.669855 0.376423 0.858042} H1417 2216 0.0 -1 8 {} O 0.0 {0.709081 0.312273 0.97405} O356 2217 0.0 -1 6 {} C 0.0 {0.719724 0.328361 0.0205176} C356 2218 0.0 -1 1 {} H 0.0 {0.698172 0.3175 0.0398169} H1418 2219 0.0 -1 1 {} H 0.0 {0.745336 0.315488 0.0266004} H1419 2220 0.0 -1 1 {} H 0.0 {0.727251 0.3581 0.0285117} H1420 2221 0.0 -1 1 {} H 0.0 {0.354392 0.421476 0.215242} H1421 2222 0.0 -1 1 {} H 0.0 {0.735239 0.311823 0.960955} H1422 2223 0.0 -1 1 {} H 0.0 {0.749497 0.40546 0.94767} H1423 2224 0.0 -1 1 {} H 0.0 {0.636469 0.336299 0.987181} H1424 2225 0.0 -1 14 {} Si 0.0 {0.365402 0.723731 0.549733} Si90 2226 0.0 -1 8 {} O 0.0 {0.39397 0.774268 0.53946} O357 2227 0.0 -1 6 {} C 0.0 {0.431315 0.745647 0.558689} C357 2228 0.0 -1 1 {} H 0.0 {0.438919 0.715368 0.563508} H1425 2229 0.0 -1 1 {} H 0.0 {0.450822 0.757683 0.537255} H1426 2230 0.0 -1 1 {} H 0.0 {0.432927 0.763393 0.58503} H1427 2231 0.0 -1 8 {} O 0.0 {0.353415 0.69004 0.502055} O358 2232 0.0 -1 6 {} C 0.0 {0.393155 0.66538 0.517527} C358 2233 0.0 -1 1 {} H 0.0 {0.418086 0.668333 0.503471} H1428 2234 0.0 -1 1 {} H 0.0 {0.40085 0.670881 0.545066} H1429 2235 0.0 -1 1 {} H 0.0 {0.387439 0.634827 0.51472} H1430 2236 0.0 -1 8 {} O 0.0 {0.330609 0.72614 0.599679} O359 2237 0.0 -1 6 {} C 0.0 {0.362382 0.692121 0.611806} C359 2238 0.0 -1 1 {} H 0.0 {0.387173 0.679032 0.601684} H1431 2239 0.0 -1 1 {} H 0.0 {0.372574 0.705418 0.637948} H1432 2240 0.0 -1 1 {} H 0.0 {0.348236 0.665114 0.614845} H1433 2241 0.0 -1 8 {} O 0.0 {0.318726 0.755601 0.542041} O360 2242 0.0 -1 6 {} C 0.0 {0.307822 0.784731 0.502233} C360 2243 0.0 -1 1 {} H 0.0 {0.335089 0.786144 0.487788} H1434 2244 0.0 -1 1 {} H 0.0 {0.28332 0.773052 0.486553} H1435 2245 0.0 -1 1 {} H 0.0 {0.30176 0.813116 0.506833} H1436 2246 0.0 -1 1 {} H 0.0 {0.875988 0.610334 0.600049} H1437 2247 0.0 -1 1 {} H 0.0 {0.319495 0.778 0.561523} H1438 2248 0.0 -1 1 {} H 0.0 {0.386505 0.789387 0.561536} H1439 2249 0.0 -1 1 {} H 0.0 {0.330773 0.674366 0.511188} H1440 2250 0.0 -1 14 {} Si 0.0 {0.131384 0.186857 0.371583} Si91 2251 0.0 -1 8 {} O 0.0 {0.0984413 0.146148 0.345342} O361 2252 0.0 -1 6 {} C 0.0 {0.102278 0.130473 0.392951} C361 2253 0.0 -1 1 {} H 0.0 {0.0765547 0.114642 0.39327} H1441 2254 0.0 -1 1 {} H 0.0 {0.12471 0.112106 0.399595} H1442 2255 0.0 -1 1 {} H 0.0 {0.0918553 0.14394 0.419149} H1443 2256 0.0 -1 8 {} O 0.0 {0.0859054 0.203517 0.410734} O362 2257 0.0 -1 6 {} C 0.0 {0.126655 0.213123 0.435851} C362 2258 0.0 -1 1 {} H 0.0 {0.111143 0.231903 0.45519} H1444 2259 0.0 -1 1 {} H 0.0 {0.13562 0.187616 0.451214} H1445 2260 0.0 -1 1 {} H 0.0 {0.147617 0.230454 0.42285} H1446 2261 0.0 -1 8 {} O 0.0 {0.183442 0.184723 0.345303} O363 2262 0.0 -1 6 {} C 0.0 {0.192536 0.168452 0.391052} C363 2263 0.0 -1 1 {} H 0.0 {0.218674 0.156337 0.3796} H1447 2264 0.0 -1 1 {} H 0.0 {0.199121 0.18513 0.413865} H1448 2265 0.0 -1 1 {} H 0.0 {0.176431 0.143059 0.39934} H1449 2266 0.0 -1 8 {} O 0.0 {0.11451 0.235855 0.343707} O364 2267 0.0 -1 6 {} C 0.0 {0.147977 0.269656 0.335207} C364 2268 0.0 -1 1 {} H 0.0 {0.169304 0.25369 0.321692} H1450 2269 0.0 -1 1 {} H 0.0 {0.136014 0.292569 0.315707} H1451 2270 0.0 -1 1 {} H 0.0 {0.157174 0.282648 0.361883} H1452 2271 0.0 -1 1 {} H 0.0 {0.830128 0.651039 0.852637} H1453 2272 0.0 -1 1 {} H 0.0 {0.112006 0.224452 0.317248} H1454 2273 0.0 -1 1 {} H 0.0 {0.0734992 0.15952 0.343127} H1455 2274 0.0 -1 1 {} H 0.0 {0.0779554 0.226577 0.401437} H1456 2275 0.0 -1 14 {} Si 0.0 {0.725212 0.710176 0.870881} Si92 2276 0.0 -1 8 {} O 0.0 {0.775064 0.731972 0.893247} O365 2277 0.0 -1 6 {} C 0.0 {0.770329 0.754258 0.848742} C365 2278 0.0 -1 1 {} H 0.0 {0.759 0.782564 0.847924} H1457 2279 0.0 -1 1 {} H 0.0 {0.800306 0.75923 0.842067} H1458 2280 0.0 -1 1 {} H 0.0 {0.764088 0.741808 0.823383} H1459 2281 0.0 -1 8 {} O 0.0 {0.71376 0.693327 0.813455} O366 2282 0.0 -1 6 {} C 0.0 {0.723597 0.650664 0.830911} C366 2283 0.0 -1 1 {} H 0.0 {0.751012 0.641659 0.83678} H1460 2284 0.0 -1 1 {} H 0.0 {0.700905 0.63575 0.846463} H1461 2285 0.0 -1 1 {} H 0.0 {0.712149 0.632978 0.806298} H1462 2286 0.0 -1 8 {} O 0.0 {0.731848 0.667371 0.909988} O367 2287 0.0 -1 6 {} C 0.0 {0.709449 0.625654 0.923883} C367 2288 0.0 -1 1 {} H 0.0 {0.717116 0.623195 0.953926} H1463 2289 0.0 -1 1 {} H 0.0 {0.678098 0.628505 0.921667} H1464 2290 0.0 -1 1 {} H 0.0 {0.717647 0.603397 0.909505} H1465 2291 0.0 -1 8 {} O 0.0 {0.688779 0.723253 0.913069} O368 2292 0.0 -1 6 {} C 0.0 {0.666275 0.749292 0.877106} C368 2293 0.0 -1 1 {} H 0.0 {0.638698 0.738486 0.875129} H1466 2294 0.0 -1 1 {} H 0.0 {0.664568 0.776903 0.89187} H1467 2295 0.0 -1 1 {} H 0.0 {0.676931 0.755005 0.849253} H1468 2296 0.0 -1 1 {} H 0.0 {0.310053 0.405586 0.0109391} H1469 2297 0.0 -1 1 {} H 0.0 {0.674897 0.701059 0.912695} H1470 2298 0.0 -1 1 {} H 0.0 {0.789834 0.710422 0.888233} H1471 2299 0.0 -1 1 {} H 0.0 {0.685887 0.690176 0.80825} H1472 2300 0.0 -1 14 {} Si 0.0 {0.575561 0.957622 0.484957} Si93 2301 0.0 -1 8 {} O 0.0 {0.582911 0.0116518 0.463138} O369 2302 0.0 -1 6 {} C 0.0 {0.581969 0.0528413 0.490374} C369 2303 0.0 -1 1 {} H 0.0 {0.609665 0.058921 0.498002} H1473 2304 0.0 -1 1 {} H 0.0 {0.572923 0.0749634 0.471588} H1474 2305 0.0 -1 1 {} H 0.0 {0.56818 0.0520998 0.517342} H1475 2306 0.0 -1 8 {} O 0.0 {0.569301 0.987087 0.538094} O370 2307 0.0 -1 6 {} C 0.0 {0.546991 0.942994 0.543632} C370 2308 0.0 -1 1 {} H 0.0 {0.55763 0.917075 0.531746} H1476 2309 0.0 -1 1 {} H 0.0 {0.560201 0.939658 0.572591} H1477 2310 0.0 -1 1 {} H 0.0 {0.517838 0.946617 0.544468} H1478 2311 0.0 -1 8 {} O 0.0 {0.571744 0.927727 0.433992} O371 2312 0.0 -1 6 {} C 0.0 {0.526478 0.920114 0.449903} C371 2313 0.0 -1 1 {} H 0.0 {0.512149 0.9368 0.469833} H1479 2314 0.0 -1 1 {} H 0.0 {0.50831 0.920827 0.426021} H1480 2315 0.0 -1 1 {} H 0.0 {0.523928 0.893392 0.464608} H1481 2316 0.0 -1 8 {} O 0.0 {0.632102 0.958075 0.482689} O372 2317 0.0 -1 6 {} C 0.0 {0.630491 0.907425 0.481179} C372 2318 0.0 -1 1 {} H 0.0 {0.641575 0.901511 0.508285} H1482 2319 0.0 -1 1 {} H 0.0 {0.606463 0.890048 0.478745} H1483 2320 0.0 -1 1 {} H 0.0 {0.652491 0.901432 0.458222} H1484 2321 0.0 -1 1 {} H 0.0 {0.385664 0.347287 0.664064} H1485 2322 0.0 -1 1 {} H 0.0 {0.635412 0.968844 0.455109} H1486 2323 0.0 -1 1 {} H 0.0 {0.557102 0.015873 0.450782} H1487 2324 0.0 -1 1 {} H 0.0 {0.590792 0.981992 0.551127} H1488 2325 0.0 -1 14 {} Si 0.0 {0.383471 0.367811 0.252746} Si94 2326 0.0 -1 8 {} O 0.0 {0.349205 0.390246 0.292309} O373 2327 0.0 -1 6 {} C 0.0 {0.392876 0.398033 0.317559} C373 2328 0.0 -1 1 {} H 0.0 {0.376166 0.406794 0.343456} H1489 2329 0.0 -1 1 {} H 0.0 {0.411831 0.374239 0.323651} H1490 2330 0.0 -1 1 {} H 0.0 {0.41247 0.41769 0.308869} H1491 2331 0.0 -1 8 {} O 0.0 {0.332593 0.346215 0.235116} O374 2332 0.0 -1 6 {} C 0.0 {0.283829 0.349641 0.238794} C374 2333 0.0 -1 1 {} H 0.0 {0.273607 0.366137 0.216188} H1492 2334 0.0 -1 1 {} H 0.0 {0.276187 0.321155 0.236783} H1493 2335 0.0 -1 1 {} H 0.0 {0.277046 0.360378 0.265242} H1494 2336 0.0 -1 8 {} O 0.0 {0.372989 0.402027 0.208033} O375 2337 0.0 -1 6 {} C 0.0 {0.41233 0.425087 0.226078} C375 2338 0.0 -1 1 {} H 0.0 {0.414545 0.445891 0.203899} H1495 2339 0.0 -1 1 {} H 0.0 {0.408717 0.441126 0.251703} H1496 2340 0.0 -1 1 {} H 0.0 {0.439626 0.413079 0.229023} H1497 2341 0.0 -1 8 {} O 0.0 {0.4032 0.311072 0.244584} O376 2342 0.0 -1 6 {} C 0.0 {0.442738 0.32693 0.267463} C376 2343 0.0 -1 1 {} H 0.0 {0.446731 0.317788 0.296183} H1498 2344 0.0 -1 1 {} H 0.0 {0.463851 0.314708 0.252155} H1499 2345 0.0 -1 1 {} H 0.0 {0.451056 0.356448 0.269542} H1500 2346 0.0 -1 1 {} H 0.0 {0.630974 0.0568285 0.801805} H1501 2347 0.0 -1 1 {} H 0.0 {0.411546 0.31632 0.21841} H1502 2348 0.0 -1 1 {} H 0.0 {0.338477 0.367906 0.303751} H1503 2349 0.0 -1 1 {} H 0.0 {0.337964 0.348418 0.206271} H1504 2350 0.0 -1 14 {} Si 0.0 {0.681428 0.819594 0.0126775} Si95 2351 0.0 -1 8 {} O 0.0 {0.684607 0.845385 0.0622106} O377 2352 0.0 -1 6 {} C 0.0 {0.684118 0.89096 0.0402866} C377 2353 0.0 -1 1 {} H 0.0 {0.655631 0.90056 0.0325546} H1505 2354 0.0 -1 1 {} H 0.0 {0.694429 0.903654 0.0685002} H1506 2355 0.0 -1 1 {} H 0.0 {0.699326 0.903526 0.0167862} H1507 2356 0.0 -1 8 {} O 0.0 {0.704498 0.766464 0.0232589} O378 2357 0.0 -1 6 {} C 0.0 {0.710889 0.731553 0.990777} C378 2358 0.0 -1 1 {} H 0.0 {0.732558 0.739083 0.970168} H1508 2359 0.0 -1 1 {} H 0.0 {0.724934 0.709438 0.00583915} H1509 2360 0.0 -1 1 {} H 0.0 {0.684223 0.723366 0.977509} H1510 2361 0.0 -1 8 {} O 0.0 {0.639291 0.807062 0.0147245} O379 2362 0.0 -1 6 {} C 0.0 {0.602098 0.817888 0.988882} C379 2363 0.0 -1 1 {} H 0.0 {0.577414 0.823836 0.0078899} H1511 2364 0.0 -1 1 {} H 0.0 {0.603238 0.845311 0.975269} H1512 2365 0.0 -1 1 {} H 0.0 {0.598735 0.79162 0.971835} H1513 2366 0.0 -1 8 {} O 0.0 {0.670886 0.815597 0.95654} O380 2367 0.0 -1 6 {} C 0.0 {0.706147 0.851122 0.952624} C380 2368 0.0 -1 1 {} H 0.0 {0.729566 0.858743 0.971165} H1514 2369 0.0 -1 1 {} H 0.0 {0.722033 0.840659 0.929991} H1515 2370 0.0 -1 1 {} H 0.0 {0.693244 0.87905 0.947651} H1516 2371 0.0 -1 1 {} H 0.0 {0.764131 0.219791 0.280988} H1517 2372 0.0 -1 1 {} H 0.0 {0.686212 0.794741 0.947615} H1518 2373 0.0 -1 1 {} H 0.0 {0.661847 0.844261 0.073283} H1519 2374 0.0 -1 1 {} H 0.0 {0.691067 0.752686 0.0439276} H1520 2375 0.0 -1 14 {} Si 0.0 {0.454497 0.902872 0.984447} Si96 2376 0.0 -1 8 {} O 0.0 {0.395705 0.910257 0.977368} O381 2377 0.0 -1 6 {} C 0.0 {0.395187 0.884563 0.0194432} C381 2378 0.0 -1 1 {} H 0.0 {0.401826 0.898989 0.044814} H1521 2379 0.0 -1 1 {} H 0.0 {0.363699 0.884164 0.02041} H1522 2380 0.0 -1 1 {} H 0.0 {0.4026 0.85604 0.0219284} H1523 2381 0.0 -1 8 {} O 0.0 {0.45995 0.932077 0.933392} O382 2382 0.0 -1 6 {} C 0.0 {0.443186 0.965098 0.9671} C382 2383 0.0 -1 1 {} H 0.0 {0.463437 0.987247 0.971396} H1524 2384 0.0 -1 1 {} H 0.0 {0.420497 0.971126 0.949881} H1525 2385 0.0 -1 1 {} H 0.0 {0.432935 0.96281 0.997068} H1526 2386 0.0 -1 8 {} O 0.0 {0.511245 0.884583 0.999766} O383 2387 0.0 -1 6 {} C 0.0 {0.50057 0.920831 0.0313539} C383 2388 0.0 -1 1 {} H 0.0 {0.518085 0.94405 0.0257198} H1527 2389 0.0 -1 1 {} H 0.0 {0.475461 0.929948 0.043384} H1528 2390 0.0 -1 1 {} H 0.0 {0.511305 0.904748 0.0570254} H1529 2391 0.0 -1 8 {} O 0.0 {0.437269 0.858116 0.952018} O384 2392 0.0 -1 6 {} C 0.0 {0.404941 0.822345 0.94009} C384 2393 0.0 -1 1 {} H 0.0 {0.377147 0.832972 0.95353} H1530 2394 0.0 -1 1 {} H 0.0 {0.400255 0.816439 0.911767} H1531 2395 0.0 -1 1 {} H 0.0 {0.41648 0.797582 0.950466} H1532 2396 0.0 -1 1 {} H 0.0 {0.637284 0.700297 0.513774} H1533 2397 0.0 -1 1 {} H 0.0 {0.460866 0.850541 0.940953} H1534 2398 0.0 -1 1 {} H 0.0 {0.475847 0.0681925 0.994218} H1535 2399 0.0 -1 1 {} H 0.0 {0.434472 0.925921 0.924734} H1536 2400 0.0 -1 14 {} Si 0.0 {0.714252 0.706958 0.287245} Si97 2401 0.0 -1 8 {} O 0.0 {0.685512 0.749081 0.261176} O385 2402 0.0 -1 6 {} C 0.0 {0.669541 0.714015 0.228971} C385 2403 0.0 -1 1 {} H 0.0 {0.646967 0.731745 0.216805} H1537 2404 0.0 -1 1 {} H 0.0 {0.684741 0.709227 0.201936} H1538 2405 0.0 -1 1 {} H 0.0 {0.65063 0.692228 0.239744} H1539 2406 0.0 -1 8 {} O 0.0 {0.686546 0.709632 0.33879} O386 2407 0.0 -1 6 {} C 0.0 {0.69625 0.661301 0.332913} C386 2408 0.0 -1 1 {} H 0.0 {0.716661 0.654612 0.352627} H1540 2409 0.0 -1 1 {} H 0.0 {0.667964 0.652479 0.344256} H1541 2410 0.0 -1 1 {} H 0.0 {0.700618 0.646696 0.307278} H1542 2411 0.0 -1 8 {} O 0.0 {0.756105 0.705104 0.244511} O387 2412 0.0 -1 6 {} C 0.0 {0.741704 0.658223 0.246125} C387 2413 0.0 -1 1 {} H 0.0 {0.753552 0.646017 0.268999} H1543 2414 0.0 -1 1 {} H 0.0 {0.715958 0.648896 0.239912} H1544 2415 0.0 -1 1 {} H 0.0 {0.757309 0.643481 0.224307} H1545 2416 0.0 -1 8 {} O 0.0 {0.749381 0.75225 0.30538} O388 2417 0.0 -1 6 {} C 0.0 {0.797431 0.76229 0.298334} C388 2418 0.0 -1 1 {} H 0.0 {0.801208 0.768494 0.267843} H1546 2419 0.0 -1 1 {} H 0.0 {0.808411 0.785632 0.313529} H1547 2420 0.0 -1 1 {} H 0.0 {0.81424 0.739288 0.308631} H1548 2421 0.0 -1 1 {} H 0.0 {0.514834 0.44721 0.662616} H1549 2422 0.0 -1 1 {} H 0.0 {0.846412 0.657229 0.864507} H1550 2423 0.0 -1 1 {} H 0.0 {0.707556 0.757852 0.244044} H1551 2424 0.0 -1 1 {} H 0.0 {0.706683 0.717503 0.355305} H1552 2425 0.0 -1 14 {} Si 0.0 {0.734551 0.200013 0.810915} Si98 2426 0.0 -1 8 {} O 0.0 {0.744553 0.190604 0.867675} O389 2427 0.0 -1 6 {} C 0.0 {0.766643 0.150885 0.847243} C389 2428 0.0 -1 1 {} H 0.0 {0.788858 0.150288 0.865075} H1553 2429 0.0 -1 1 {} H 0.0 {0.748802 0.126016 0.851049} H1554 2430 0.0 -1 1 {} H 0.0 {0.778127 0.146087 0.820934} H1555 2431 0.0 -1 8 {} O 0.0 {0.765717 0.246208 0.796808} O390 2432 0.0 -1 6 {} C 0.0 {0.790176 0.211663 0.770194} C390 2433 0.0 -1 1 {} H 0.0 {0.798032 0.183925 0.777398} H1556 2434 0.0 -1 1 {} H 0.0 {0.780147 0.211359 0.742575} H1557 2435 0.0 -1 1 {} H 0.0 {0.817989 0.229399 0.770925} H1558 2436 0.0 -1 8 {} O 0.0 {0.681407 0.206955 0.781066} O391 2437 0.0 -1 6 {} C 0.0 {0.697126 0.158937 0.774471} C391 2438 0.0 -1 1 {} H 0.0 {0.695383 0.141037 0.797971} H1559 2439 0.0 -1 1 {} H 0.0 {0.673897 0.152005 0.756683} H1560 2440 0.0 -1 1 {} H 0.0 {0.721735 0.154522 0.756889} H1561 2441 0.0 -1 8 {} O 0.0 {0.70185 0.248033 0.832995} O392 2442 0.0 -1 6 {} C 0.0 {0.720375 0.270075 0.871835} C392 2443 0.0 -1 1 {} H 0.0 {0.702655 0.297208 0.874387} H1562 2444 0.0 -1 1 {} H 0.0 {0.721347 0.253948 0.896785} H1563 2445 0.0 -1 1 {} H 0.0 {0.74793 0.275774 0.863559} H1564 2446 0.0 -1 1 {} H 0.0 {0.492089 0.167267 0.902361} H1565 2447 0.0 -1 1 {} H 0.0 {0.707431 0.265756 0.810794} H1566 2448 0.0 -1 1 {} H 0.0 {0.766231 0.208725 0.871621} H1567 2449 0.0 -1 1 {} H 0.0 {0.782011 0.249379 0.817419} H1568 2450 0.0 -1 14 {} Si 0.0 {0.613007 0.988403 0.814358} Si99 2451 0.0 -1 8 {} O 0.0 {0.579025 0.955487 0.78431} O393 2452 0.0 -1 6 {} C 0.0 {0.619955 0.925673 0.788834} C393 2453 0.0 -1 1 {} H 0.0 {0.625638 0.918366 0.759023} H1569 2454 0.0 -1 1 {} H 0.0 {0.648413 0.931781 0.798546} H1570 2455 0.0 -1 1 {} H 0.0 {0.607031 0.901691 0.804844} H1571 2456 0.0 -1 8 {} O 0.0 {0.619026 0.950088 0.859273} O394 2457 0.0 -1 6 {} C 0.0 {0.631077 0.990555 0.883304} C394 2458 0.0 -1 1 {} H 0.0 {0.617497 0.0165781 0.877359} H1572 2459 0.0 -1 1 {} H 0.0 {0.62007 0.984006 0.911314} H1573 2460 0.0 -1 1 {} H 0.0 {0.660785 0.99532 0.886795} H1574 2461 0.0 -1 8 {} O 0.0 {0.627039 0.0392586 0.782553} O395 2462 0.0 -1 6 {} C 0.0 {0.671967 0.0168117 0.784947} C395 2463 0.0 -1 1 {} H 0.0 {0.672316 0.989888 0.797198} H1575 2464 0.0 -1 1 {} H 0.0 {0.678095 0.012602 0.755319} H1576 2465 0.0 -1 1 {} H 0.0 {0.687796 0.0365744 0.80314} H1577 2466 0.0 -1 8 {} O 0.0 {0.565924 0.0215819 0.827502} O396 2467 0.0 -1 6 {} C 0.0 {0.546421 0.0399604 0.866956} C396 2468 0.0 -1 1 {} H 0.0 {0.566275 0.0530842 0.886173} H1578 2469 0.0 -1 1 {} H 0.0 {0.525644 0.0610963 0.858744} H1579 2470 0.0 -1 1 {} H 0.0 {0.532566 0.0179875 0.881254} H1580 2471 0.0 -1 1 {} H 0.0 {0.492664 0.680727 0.598738} H1581 2472 0.0 -1 1 {} H 0.0 {0.570463 0.0423425 0.811215} H1582 2473 0.0 -1 1 {} H 0.0 {0.560978 0.941259 0.800068} H1583 2474 0.0 -1 1 {} H 0.0 {0.593033 0.944355 0.871063} H1584 2475 0.0 -1 14 {} Si 0.0 {0.719176 0.252308 0.253964} Si100 2476 0.0 -1 8 {} O 0.0 {0.719965 0.210502 0.21065} O397 2477 0.0 -1 6 {} C 0.0 {0.74338 0.247447 0.188223} C397 2478 0.0 -1 1 {} H 0.0 {0.76812 0.234064 0.180172} H1585 2479 0.0 -1 1 {} H 0.0 {0.724834 0.259998 0.167196} H1586 2480 0.0 -1 1 {} H 0.0 {0.755529 0.273587 0.197808} H1587 2481 0.0 -1 8 {} O 0.0 {0.671962 0.230559 0.282125} O398 2482 0.0 -1 6 {} C 0.0 {0.627812 0.237497 0.261425} C398 2483 0.0 -1 1 {} H 0.0 {0.631684 0.225831 0.234545} H1588 2484 0.0 -1 1 {} H 0.0 {0.605533 0.225552 0.277861} H1589 2485 0.0 -1 1 {} H 0.0 {0.625866 0.266384 0.255365} H1590 2486 0.0 -1 8 {} O 0.0 {0.757564 0.239188 0.296381} O399 2487 0.0 -1 6 {} C 0.0 {0.782667 0.276756 0.275927} C399 2488 0.0 -1 1 {} H 0.0 {0.792351 0.292777 0.299143} H1591 2489 0.0 -1 1 {} H 0.0 {0.807771 0.268207 0.263097} H1592 2490 0.0 -1 1 {} H 0.0 {0.772182 0.299843 0.258542} H1593 2491 0.0 -1 8 {} O 0.0 {0.705742 0.292866 0.240194} O400 2492 0.0 -1 6 {} C 0.0 {0.672139 0.318417 0.261066} C400 2493 0.0 -1 1 {} H 0.0 {0.689256 0.343708 0.269135} H1594 2494 0.0 -1 1 {} H 0.0 {0.652993 0.319704 0.23645} H1595 2495 0.0 -1 1 {} H 0.0 {0.657747 0.312481 0.28777} H1596 2496 0.0 -1 1 {} H 0.0 {0.282501 0.411472 0.629778} H1597 2497 0.0 -1 1 {} H 0.0 {0.503594 0.86162 0.0137921} H1598 2498 0.0 -1 1 {} H 0.0 {0.693579 0.214448 0.199503} H1599 2499 0.0 -1 1 {} H 0.0 {0.671465 0.201605 0.27891} H1600 2500 0.0 -1 14 {} Si 0.0 {0.446788 0.390189 0.633929} Si101 2501 0.0 -1 8 {} O 0.0 {0.391783 0.366215 0.644828} O401 2502 0.0 -1 6 {} C 0.0 {0.413257 0.337956 0.610938} C401 2503 0.0 -1 1 {} H 0.0 {0.440432 0.33954 0.595494} H1601 2504 0.0 -1 1 {} H 0.0 {0.415485 0.312561 0.625019} H1602 2505 0.0 -1 1 {} H 0.0 {0.39563 0.343591 0.585198} H1603 2506 0.0 -1 8 {} O 0.0 {0.442676 0.44302 0.609783} O402 2507 0.0 -1 6 {} C 0.0 {0.46245 0.418407 0.571423} C402 2508 0.0 -1 1 {} H 0.0 {0.43807 0.422217 0.550958} H1604 2509 0.0 -1 1 {} H 0.0 {0.485052 0.437635 0.564049} H1605 2510 0.0 -1 1 {} H 0.0 {0.475031 0.390147 0.56626} H1606 2511 0.0 -1 8 {} O 0.0 {0.453653 0.405735 0.692266} O403 2512 0.0 -1 6 {} C 0.0 {0.451537 0.373734 0.728114} C403 2513 0.0 -1 1 {} H 0.0 {0.452851 0.390515 0.754802} H1607 2514 0.0 -1 1 {} H 0.0 {0.428056 0.357055 0.729741} H1608 2515 0.0 -1 1 {} H 0.0 {0.476042 0.357276 0.729558} H1609 2516 0.0 -1 8 {} O 0.0 {0.504965 0.390661 0.625486} O404 2517 0.0 -1 6 {} C 0.0 {0.500456 0.354281 0.659077} C404 2518 0.0 -1 1 {} H 0.0 {0.511382 0.328567 0.648643} H1610 2519 0.0 -1 1 {} H 0.0 {0.515279 0.364691 0.684452} H1611 2520 0.0 -1 1 {} H 0.0 {0.473807 0.344935 0.673364} H1612 2521 0.0 -1 1 {} H 0.0 {0.727163 0.171984 0.166211} H1613 2522 0.0 -1 1 {} H 0.0 {0.262094 0.555551 0.777421} H1614 2523 0.0 -1 1 {} H 0.0 {0.301837 0.602656 0.76122} H1615 2524 0.0 -1 1 {} H 0.0 {0.466761 0.455586 0.618688} H1616 2525 0.0 -1 14 {} Si 0.0 {0.639333 0.551709 0.341879} Si102 2526 0.0 -1 8 {} O 0.0 {0.649589 0.592772 0.379636} O405 2527 0.0 -1 6 {} C 0.0 {0.640035 0.551798 0.407184} C405 2528 0.0 -1 1 {} H 0.0 {0.613564 0.558642 0.421494} H1617 2529 0.0 -1 1 {} H 0.0 {0.63909 0.52163 0.400989} H1618 2530 0.0 -1 1 {} H 0.0 {0.664973 0.550913 0.427002} H1619 2531 0.0 -1 8 {} O 0.0 {0.679971 0.550183 0.303579} O406 2532 0.0 -1 6 {} C 0.0 {0.685623 0.505295 0.32666} C406 2533 0.0 -1 1 {} H 0.0 {0.675753 0.483957 0.308746} H1620 2534 0.0 -1 1 {} H 0.0 {0.716462 0.507258 0.331315} H1621 2535 0.0 -1 1 {} H 0.0 {0.681603 0.492298 0.353575} H1622 2536 0.0 -1 8 {} O 0.0 {0.603205 0.570966 0.304812} O407 2537 0.0 -1 6 {} C 0.0 {0.575687 0.530597 0.320122} C407 2538 0.0 -1 1 {} H 0.0 {0.583419 0.499277 0.319083} H1623 2539 0.0 -1 1 {} H 0.0 {0.559778 0.538079 0.343595} H1624 2540 0.0 -1 1 {} H 0.0 {0.55831 0.524709 0.296394} H1625 2541 0.0 -1 8 {} O 0.0 {0.176604 0.092775 0.458755} O408 2542 0.0 -1 6 {} C 0.0 {0.220471 0.113254 0.450477} C408 2543 0.0 -1 1 {} H 0.0 {0.238528 0.107156 0.427207} H1626 2544 0.0 -1 1 {} H 0.0 {0.216943 0.141288 0.451506} H1627 2545 0.0 -1 1 {} H 0.0 {0.236493 0.104851 0.473927} H1628 2546 0.0 -1 1 {} H 0.0 {0.191531 0.293046 0.175802} H1629 2547 0.0 -1 1 {} H 0.0 {0.171692 0.0987622 0.485297} H1630 2548 0.0 -1 1 {} H 0.0 {0.679077 0.59304 0.378662} H1631 2549 0.0 -1 1 {} H 0.0 {0.664208 0.541741 0.279582} H1632 2550 0.0 -1 14 {} Si 0.0 {0.447415 0.572038 0.345657} Si103 2551 0.0 -1 8 {} O 0.0 {0.486052 0.604402 0.379345} O409 2552 0.0 -1 6 {} C 0.0 {0.533062 0.610454 0.377422} C409 2553 0.0 -1 1 {} H 0.0 {0.542719 0.612973 0.349324} H1633 2554 0.0 -1 1 {} H 0.0 {0.535311 0.635995 0.392289} H1634 2555 0.0 -1 1 {} H 0.0 {0.544059 0.585953 0.390741} H1635 2556 0.0 -1 8 {} O 0.0 {0.398539 0.586953 0.370964} O410 2557 0.0 -1 6 {} C 0.0 {0.407387 0.549618 0.403345} C410 2558 0.0 -1 1 {} H 0.0 {0.434224 0.537424 0.411015} H1636 2559 0.0 -1 1 {} H 0.0 {0.400127 0.564788 0.429031} H1637 2560 0.0 -1 1 {} H 0.0 {0.38842 0.53002 0.399113} H1638 2561 0.0 -1 8 {} O 0.0 {0.445651 0.617531 0.309892} O411 2562 0.0 -1 6 {} C 0.0 {0.405842 0.590217 0.294437} C411 2563 0.0 -1 1 {} H 0.0 {0.401827 0.56023 0.297725} H1639 2564 0.0 -1 1 {} H 0.0 {0.380705 0.597995 0.308418} H1640 2565 0.0 -1 1 {} H 0.0 {0.40322 0.598634 0.265631} H1641 2566 0.0 -1 8 {} O 0.0 {0.488418 0.541432 0.317684} O412 2567 0.0 -1 6 {} C 0.0 {0.460064 0.502845 0.333891} C412 2568 0.0 -1 1 {} H 0.0 {0.463494 0.48964 0.30657} H1642 2569 0.0 -1 1 {} H 0.0 {0.471032 0.488056 0.35775} H1643 2570 0.0 -1 1 {} H 0.0 {0.429347 0.502814 0.338386} H1644 2571 0.0 -1 1 {} H 0.0 {0.0302172 0.237715 0.971138} H1645 2572 0.0 -1 1 {} H 0.0 {0.479435 0.541475 0.291684} H1646 2573 0.0 -1 1 {} H 0.0 {0.477878 0.629579 0.371013} H1647 2574 0.0 -1 1 {} H 0.0 {0.408113 0.607832 0.388267} H1648 2575 0.0 -1 14 {} Si 0.0 {0.364808 0.295158 0.866569} Si104 2576 0.0 -1 8 {} O 0.0 {0.402745 0.314114 0.824699} O413 2577 0.0 -1 6 {} C 0.0 {0.44647 0.291906 0.82432} C413 2578 0.0 -1 1 {} H 0.0 {0.459707 0.29787 0.799417} H1649 2579 0.0 -1 1 {} H 0.0 {0.46285 0.304539 0.845765} H1650 2580 0.0 -1 1 {} H 0.0 {0.439111 0.263435 0.828945} H1651 2581 0.0 -1 8 {} O 0.0 {0.347454 0.249837 0.83513} O414 2582 0.0 -1 6 {} C 0.0 {0.316428 0.244119 0.874033} C414 2583 0.0 -1 1 {} H 0.0 {0.319402 0.214259 0.872069} H1652 2584 0.0 -1 1 {} H 0.0 {0.327762 0.247851 0.901325} H1653 2585 0.0 -1 1 {} H 0.0 {0.289962 0.257114 0.864341} H1654 2586 0.0 -1 8 {} O 0.0 {0.412538 0.278672 0.89777} O415 2587 0.0 -1 6 {} C 0.0 {0.3849 0.296596 0.9357} C415 2588 0.0 -1 1 {} H 0.0 {0.408447 0.311538 0.951212} H1655 2589 0.0 -1 1 {} H 0.0 {0.365643 0.319409 0.937423} H1656 2590 0.0 -1 1 {} H 0.0 {0.379155 0.27451 0.954483} H1657 2591 0.0 -1 8 {} O 0.0 {0.371763 0.35201 0.883682} O416 2592 0.0 -1 6 {} C 0.0 {0.322635 0.342889 0.886447} C416 2593 0.0 -1 1 {} H 0.0 {0.316551 0.349611 0.915879} H1658 2594 0.0 -1 1 {} H 0.0 {0.313319 0.3606 0.865783} H1659 2595 0.0 -1 1 {} H 0.0 {0.305105 0.321072 0.878271} H1660 2596 0.0 -1 1 {} H 0.0 {0.766668 0.209058 0.632638} H1661 2597 0.0 -1 1 {} H 0.0 {0.371965 0.365667 0.859956} H1662 2598 0.0 -1 1 {} H 0.0 {0.390887 0.304568 0.800781} H1663 2599 0.0 -1 1 {} H 0.0 {0.429567 0.419705 0.695956} H1664 2600 0.0 -1 14 {} Si 0.0 {0.651321 0.303907 0.535512} Si105 2601 0.0 -1 8 {} O 0.0 {0.704884 0.304878 0.560541} O417 2602 0.0 -1 6 {} C 0.0 {0.721797 0.327313 0.519126} C417 2603 0.0 -1 1 {} H 0.0 {0.739055 0.305807 0.503212} H1665 2604 0.0 -1 1 {} H 0.0 {0.701944 0.340092 0.501405} H1666 2605 0.0 -1 1 {} H 0.0 {0.738816 0.348559 0.530634} H1667 2606 0.0 -1 8 {} O 0.0 {0.653571 0.302761 0.476839} O418 2607 0.0 -1 6 {} C 0.0 {0.647682 0.341763 0.445544} C418 2608 0.0 -1 1 {} H 0.0 {0.629681 0.361759 0.460139} H1668 2609 0.0 -1 1 {} H 0.0 {0.676702 0.351665 0.443252} H1669 2610 0.0 -1 1 {} H 0.0 {0.636823 0.337392 0.418308} H1670 2611 0.0 -1 8 {} O 0.0 {0.615723 0.261116 0.535503} O419 2612 0.0 -1 6 {} C 0.0 {0.648699 0.2452 0.570539} C419 2613 0.0 -1 1 {} H 0.0 {0.68023 0.246845 0.569085} H1671 2614 0.0 -1 1 {} H 0.0 {0.638287 0.253121 0.600302} H1672 2615 0.0 -1 1 {} H 0.0 {0.648837 0.214664 0.568902} H1673 2616 0.0 -1 8 {} O 0.0 {0.602513 0.341836 0.53086} O420 2617 0.0 -1 6 {} C 0.0 {0.63299 0.353661 0.568601} C420 2618 0.0 -1 1 {} H 0.0 {0.653422 0.373755 0.561884} H1674 2619 0.0 -1 1 {} H 0.0 {0.616841 0.365387 0.589976} H1675 2620 0.0 -1 1 {} H 0.0 {0.647015 0.333596 0.586965} H1676 2621 0.0 -1 1 {} H 0.0 {0.542212 0.214622 0.452991} H1677 2622 0.0 -1 1 {} H 0.0 {0.584005 0.324433 0.541675} H1678 2623 0.0 -1 1 {} H 0.0 {0.702067 0.3249 0.576716} H1679 2624 0.0 -1 1 {} H 0.0 {0.629527 0.291061 0.471078} H1680 2625 0.0 -1 14 {} Si 0.0 {0.671657 0.126052 0.173631} Si106 2626 0.0 -1 8 {} O 0.0 {0.645044 0.119096 0.125199} O421 2627 0.0 -1 6 {} C 0.0 {0.635803 0.0747088 0.146804} C421 2628 0.0 -1 1 {} H 0.0 {0.608564 0.0735253 0.158775} H1681 2629 0.0 -1 1 {} H 0.0 {0.637034 0.0549423 0.122537} H1682 2630 0.0 -1 1 {} H 0.0 {0.656331 0.0620761 0.166918} H1683 2631 0.0 -1 8 {} O 0.0 {0.693485 0.0868702 0.214596} O422 2632 0.0 -1 6 {} C 0.0 {0.731312 0.103756 0.189031} C422 2633 0.0 -1 1 {} H 0.0 {0.743415 0.132058 0.197227} H1684 2634 0.0 -1 1 {} H 0.0 {0.752897 0.086223 0.199967} H1685 2635 0.0 -1 1 {} H 0.0 {0.739956 0.0996366 0.159473} H1686 2636 0.0 -1 8 {} O 0.0 {0.713052 0.161076 0.145559} O423 2637 0.0 -1 6 {} C 0.0 {0.74794 0.161285 0.110122} C423 2638 0.0 -1 1 {} H 0.0 {0.768863 0.138442 0.113056} H1687 2639 0.0 -1 1 {} H 0.0 {0.734282 0.161408 0.0828781} H1688 2640 0.0 -1 1 {} H 0.0 {0.760764 0.187491 0.107458} H1689 2641 0.0 -1 8 {} O 0.0 {0.649558 0.173988 0.198097} O424 2642 0.0 -1 6 {} C 0.0 {0.635489 0.142695 0.23633} C424 2643 0.0 -1 1 {} H 0.0 {0.639722 0.115369 0.239015} H1690 2644 0.0 -1 1 {} H 0.0 {0.649819 0.15654 0.259087} H1691 2645 0.0 -1 1 {} H 0.0 {0.606469 0.149062 0.231615} H1692 2646 0.0 -1 1 {} H 0.0 {0.170082 0.270784 0.491484} H1693 2647 0.0 -1 1 {} H 0.0 {0.62594 0.173359 0.18457} H1694 2648 0.0 -1 1 {} H 0.0 {0.668796 0.108537 0.108491} H1695 2649 0.0 -1 1 {} H 0.0 {0.696334 0.0608532 0.202262} H1696 2650 0.0 -1 14 {} Si 0.0 {0.190183 0.246575 0.22657} Si107 2651 0.0 -1 8 {} O 0.0 {0.144499 0.220723 0.199517} O425 2652 0.0 -1 6 {} C 0.0 {0.123991 0.216501 0.244448} C425 2653 0.0 -1 1 {} H 0.0 {0.0989612 0.234895 0.244767} H1697 2654 0.0 -1 1 {} H 0.0 {0.119398 0.1865 0.247653} H1698 2655 0.0 -1 1 {} H 0.0 {0.142311 0.220203 0.267169} H1699 2656 0.0 -1 8 {} O 0.0 {0.242951 0.263274 0.256688} O426 2657 0.0 -1 6 {} C 0.0 {0.241192 0.215017 0.256851} C426 2658 0.0 -1 1 {} H 0.0 {0.232634 0.203515 0.283613} H1700 2659 0.0 -1 1 {} H 0.0 {0.230918 0.194956 0.237306} H1701 2660 0.0 -1 1 {} H 0.0 {0.271545 0.209164 0.250106} H1702 2661 0.0 -1 8 {} O 0.0 {0.214117 0.28339 0.187012} O427 2662 0.0 -1 6 {} C 0.0 {0.217409 0.240291 0.160464} C427 2663 0.0 -1 1 {} H 0.0 {0.245954 0.232097 0.162063} H1703 2664 0.0 -1 1 {} H 0.0 {0.202275 0.214293 0.158172} H1704 2665 0.0 -1 1 {} H 0.0 {0.207322 0.252557 0.13419} H1705 2666 0.0 -1 8 {} O 0.0 {0.151705 0.286504 0.24726} O428 2667 0.0 -1 6 {} C 0.0 {0.185448 0.317427 0.263105} C428 2668 0.0 -1 1 {} H 0.0 {0.170564 0.343346 0.259278} H1706 2669 0.0 -1 1 {} H 0.0 {0.194771 0.314027 0.291674} H1707 2670 0.0 -1 1 {} H 0.0 {0.209415 0.320232 0.246533} H1708 2671 0.0 -1 1 {} H 0.0 {0.39489 0.529402 0.914902} H1709 2672 0.0 -1 1 {} H 0.0 {0.149984 0.295208 0.219212} H1710 2673 0.0 -1 1 {} H 0.0 {0.12688 0.238435 0.187623} H1711 2674 0.0 -1 1 {} H 0.0 {0.258653 0.265856 0.235765} H1712 2675 0.0 -1 14 {} Si 0.0 {0.0265005 0.24308 0.903214} Si108 2676 0.0 -1 8 {} O 0.0 {0.0814763 0.259253 0.921665} O429 2677 0.0 -1 6 {} C 0.0 {0.0854475 0.306995 0.921306} C429 2678 0.0 -1 1 {} H 0.0 {0.061846 0.319153 0.904249} H1713 2679 0.0 -1 1 {} H 0.0 {0.0810626 0.32029 0.946632} H1714 2680 0.0 -1 1 {} H 0.0 {0.112139 0.315882 0.912947} H1715 2681 0.0 -1 8 {} O 0.0 {0.0503432 0.196794 0.875517} O430 2682 0.0 -1 6 {} C 0.0 {0.0190359 0.214548 0.842464} C430 2683 0.0 -1 1 {} H 0.0 {0.000668581 0.237008 0.838998} H1716 2684 0.0 -1 1 {} H 0.0 {0.0354084 0.2219 0.818399} H1717 2685 0.0 -1 1 {} H 0.0 {0.000317159 0.189139 0.843639} H1718 2686 0.0 -1 8 {} O 0.0 {0.0234227 0.217728 0.955241} O431 2687 0.0 -1 6 {} C 0.0 {0.975584 0.223992 0.943816} C431 2688 0.0 -1 1 {} H 0.0 {0.964395 0.237354 0.919907} H1719 2689 0.0 -1 1 {} H 0.0 {0.959591 0.199446 0.947597} H1720 2690 0.0 -1 1 {} H 0.0 {0.962997 0.244266 0.962704} H1721 2691 0.0 -1 8 {} O 0.0 {0.000229986 0.293388 0.925315} O432 2692 0.0 -1 6 {} C 0.0 {0.991863 0.298647 0.876028} C432 2693 0.0 -1 1 {} H 0.0 {0.0133498 0.306545 0.854832} H1722 2694 0.0 -1 1 {} H 0.0 {0.967017 0.282252 0.864444} H1723 2695 0.0 -1 1 {} H 0.0 {0.980331 0.32758 0.878696} H1724 2696 0.0 -1 1 {} H 0.0 {0.154752 0.261681 0.0253714} H1725 2697 0.0 -1 1 {} H 0.0 {0.97462 0.292516 0.934625} H1726 2698 0.0 -1 1 {} H 0.0 {0.101955 0.247442 0.904582} H1727 2699 0.0 -1 1 {} H 0.0 {0.0354495 0.17386 0.88568} H1728 2700 0.0 -1 14 {} Si 0.0 {0.797592 0.267833 0.644034} Si109 2701 0.0 -1 8 {} O 0.0 {0.770643 0.302573 0.609036} O433 2702 0.0 -1 6 {} C 0.0 {0.799452 0.283047 0.573257} C433 2703 0.0 -1 1 {} H 0.0 {0.811219 0.256479 0.572493} H1729 2704 0.0 -1 1 {} H 0.0 {0.77595 0.274311 0.553887} H1730 2705 0.0 -1 1 {} H 0.0 {0.823218 0.301094 0.567973} H1731 2706 0.0 -1 8 {} O 0.0 {0.748304 0.26881 0.677853} O434 2707 0.0 -1 6 {} C 0.0 {0.758249 0.293489 0.718754} C434 2708 0.0 -1 1 {} H 0.0 {0.785628 0.280242 0.730546} H1732 2709 0.0 -1 1 {} H 0.0 {0.761655 0.322408 0.709499} H1733 2710 0.0 -1 1 {} H 0.0 {0.735333 0.290765 0.73685} H1734 2711 0.0 -1 8 {} O 0.0 {0.785029 0.211119 0.653196} O435 2712 0.0 -1 6 {} C 0.0 {0.826814 0.205739 0.626746} C435 2713 0.0 -1 1 {} H 0.0 {0.850696 0.195207 0.64508} H1735 2714 0.0 -1 1 {} H 0.0 {0.814437 0.181456 0.611831} H1736 2715 0.0 -1 1 {} H 0.0 {0.837653 0.223765 0.60366} H1737 2716 0.0 -1 8 {} O 0.0 {0.823434 0.303618 0.681002} O436 2717 0.0 -1 6 {} C 0.0 {0.863506 0.284227 0.658548} C436 2718 0.0 -1 1 {} H 0.0 {0.880498 0.308981 0.656265} H1738 2719 0.0 -1 1 {} H 0.0 {0.877833 0.265512 0.677461} H1739 2720 0.0 -1 1 {} H 0.0 {0.867091 0.269982 0.631987} H1740 2721 0.0 -1 1 {} H 0.0 {0.444481 0.270397 0.206858} H1741 2722 0.0 -1 1 {} H 0.0 {0.820058 0.326978 0.667331} H1742 2723 0.0 -1 1 {} H 0.0 {0.746148 0.290011 0.602912} H1743 2724 0.0 -1 1 {} H 0.0 {0.749438 0.242786 0.688128} H1744 2725 0.0 -1 14 {} Si 0.0 {0.556428 0.209453 0.385663} Si110 2726 0.0 -1 8 {} O 0.0 {0.511992 0.188363 0.355922} O437 2727 0.0 -1 6 {} C 0.0 {0.520784 0.229003 0.328824} C437 2728 0.0 -1 1 {} H 0.0 {0.532308 0.220832 0.300067} H1745 2729 0.0 -1 1 {} H 0.0 {0.49198 0.235397 0.32195} H1746 2730 0.0 -1 1 {} H 0.0 {0.528963 0.254394 0.340517} H1747 2731 0.0 -1 8 {} O 0.0 {0.610942 0.224095 0.403254} O438 2732 0.0 -1 6 {} C 0.0 {0.615423 0.242611 0.357415} C438 2733 0.0 -1 1 {} H 0.0 {0.604899 0.240329 0.329593} H1748 2734 0.0 -1 1 {} H 0.0 {0.617654 0.27582 0.359025} H1749 2735 0.0 -1 1 {} H 0.0 {0.644482 0.232333 0.354504} H1750 2736 0.0 -1 8 {} O 0.0 {0.526155 0.22285 0.431172} O439 2737 0.0 -1 6 {} C 0.0 {0.546853 0.268734 0.426562} C439 2738 0.0 -1 1 {} H 0.0 {0.553155 0.276083 0.453647} H1751 2739 0.0 -1 1 {} H 0.0 {0.573321 0.27703 0.411771} H1752 2740 0.0 -1 1 {} H 0.0 {0.520892 0.281351 0.416453} H1753 2741 0.0 -1 8 {} O 0.0 {0.563576 0.153117 0.40277} O440 2742 0.0 -1 6 {} C 0.0 {0.595054 0.138232 0.436643} C440 2743 0.0 -1 1 {} H 0.0 {0.620425 0.13513 0.420696} H1754 2744 0.0 -1 1 {} H 0.0 {0.60093 0.159782 0.455769} H1755 2745 0.0 -1 1 {} H 0.0 {0.588193 0.114971 0.453787} H1756 2746 0.0 -1 1 {} H 0.0 {0.583385 0.64377 0.303712} H1757 2747 0.0 -1 1 {} H 0.0 {0.539766 0.149858 0.419111} H1758 2748 0.0 -1 1 {} H 0.0 {0.489866 0.197157 0.371073} H1759 2749 0.0 -1 1 {} H 0.0 {0.625403 0.199398 0.402439} H1760 2750 0.0 -1 14 {} Si 0.0 {0.198469 0.318361 0.449834} Si111 2751 0.0 -1 8 {} O 0.0 {0.572048 0.663556 0.285604} O441 2752 0.0 -1 6 {} C 0.0 {0.607043 0.697988 0.291743} C441 2753 0.0 -1 1 {} H 0.0 {0.606325 0.700236 0.321358} H1761 2754 0.0 -1 1 {} H 0.0 {0.633929 0.68944 0.285242} H1762 2755 0.0 -1 1 {} H 0.0 {0.593597 0.721338 0.276562} H1763 2756 0.0 -1 8 {} O 0.0 {0.167474 0.350457 0.407964} O442 2757 0.0 -1 6 {} C 0.0 {0.210546 0.340864 0.383997} C442 2758 0.0 -1 1 {} H 0.0 {0.201969 0.350725 0.355538} H1764 2759 0.0 -1 1 {} H 0.0 {0.234332 0.35911 0.392107} H1765 2760 0.0 -1 1 {} H 0.0 {0.218288 0.314432 0.374346} H1766 2761 0.0 -1 8 {} O 0.0 {0.16438 0.269543 0.464453} O443 2762 0.0 -1 6 {} C 0.0 {0.209805 0.26952 0.447168} C443 2763 0.0 -1 1 {} H 0.0 {0.144588 0.436835 0.786746} H1767 2764 0.0 -1 1 {} H 0.0 {0.215455 0.263429 0.415625} H1768 2765 0.0 -1 1 {} H 0.0 {0.231759 0.26483 0.467803} H1769 2766 0.0 -1 8 {} O 0.0 {0.194523 0.347428 0.505413} O444 2767 0.0 -1 6 {} C 0.0 {0.241967 0.343137 0.495568} C444 2768 0.0 -1 1 {} H 0.0 {0.252669 0.367159 0.484279} H1770 2769 0.0 -1 1 {} H 0.0 {0.252019 0.349953 0.523479} H1771 2770 0.0 -1 1 {} H 0.0 {0.261331 0.318677 0.494534} H1772 2771 0.0 -1 1 {} H 0.0 {0.281354 0.939331 0.543439} H1773 2772 0.0 -1 1 {} H 0.0 {0.187527 0.372249 0.498809} H1774 2773 0.0 -1 1 {} H 0.0 {0.549868 0.673287 0.29917} H1775 2774 0.0 -1 1 {} H 0.0 {0.171619 0.379012 0.407237} H1776 2775 0.0 -1 14 {} Si 0.0 {0.439569 0.567663 0.946852} Si112 2776 0.0 -1 8 {} O 0.0 {0.479772 0.548651 0.98713} O445 2777 0.0 -1 6 {} C 0.0 {0.50847 0.57571 0.957445} C445 2778 0.0 -1 1 {} H 0.0 {0.49417 0.595429 0.937905} H1777 2779 0.0 -1 1 {} H 0.0 {0.520617 0.595855 0.978289} H1778 2780 0.0 -1 1 {} H 0.0 {0.528646 0.559676 0.9404} H1779 2781 0.0 -1 8 {} O 0.0 {0.40258 0.600356 0.912192} O446 2782 0.0 -1 6 {} C 0.0 {0.417473 0.633065 0.945589} C446 2783 0.0 -1 1 {} H 0.0 {0.389871 0.647555 0.951479} H1780 2784 0.0 -1 1 {} H 0.0 {0.426997 0.634412 0.97371} H1781 2785 0.0 -1 1 {} H 0.0 {0.434953 0.650563 0.928503} H1782 2786 0.0 -1 8 {} O 0.0 {0.420937 0.522348 0.91777} O447 2787 0.0 -1 6 {} C 0.0 {0.439563 0.552673 0.881628} C447 2788 0.0 -1 1 {} H 0.0 {0.416317 0.557479 0.86147} H1783 2789 0.0 -1 1 {} H 0.0 {0.450017 0.581968 0.880203} H1784 2790 0.0 -1 1 {} H 0.0 {0.464721 0.537106 0.869663} H1785 2791 0.0 -1 8 {} O 0.0 {0.392077 0.568535 0.985334} O448 2792 0.0 -1 6 {} C 0.0 {0.357649 0.534346 0.986389} C448 2793 0.0 -1 1 {} H 0.0 {0.337837 0.542568 0.00784523} H1786 2794 0.0 -1 1 {} H 0.0 {0.342706 0.5342 0.959979} H1787 2795 0.0 -1 1 {} H 0.0 {0.374984 0.509418 0.993048} H1788 2796 0.0 -1 1 {} H 0.0 {0.119996 0.402428 0.415223} H1789 2797 0.0 -1 1 {} H 0.0 {0.40491 0.561089 0.00828529} H1790 2798 0.0 -1 1 {} H 0.0 {0.472905 0.566552 0.00724633} H1791 2799 0.0 -1 1 {} H 0.0 {0.378214 0.594862 0.925868} H1792 2800 0.0 -1 14 {} Si 0.0 {0.203755 0.242656 0.982493} Si113 2801 0.0 -1 8 {} O 0.0 {0.240579 0.20884 0.952551} O449 2802 0.0 -1 6 {} C 0.0 {0.270194 0.245457 0.970165} C449 2803 0.0 -1 1 {} H 0.0 {0.261175 0.269103 0.985542} H1793 2804 0.0 -1 1 {} H 0.0 {0.293171 0.234163 0.985297} H1794 2805 0.0 -1 1 {} H 0.0 {0.28394 0.258926 0.94656} H1795 2806 0.0 -1 8 {} O 0.0 {0.166345 0.195675 0.982043} O450 2807 0.0 -1 6 {} C 0.0 {0.124365 0.176728 0.963968} C450 2808 0.0 -1 1 {} H 0.0 {0.105807 0.174009 0.988487} H1796 2809 0.0 -1 1 {} H 0.0 {0.112718 0.195154 0.940848} H1797 2810 0.0 -1 1 {} H 0.0 {0.127659 0.150364 0.950541} H1798 2811 0.0 -1 8 {} O 0.0 {0.177448 0.25008 0.0338712} O451 2812 0.0 -1 6 {} C 0.0 {0.208925 0.288352 0.0402586} C451 2813 0.0 -1 1 {} H 0.0 {0.191016 0.313136 0.0457872} H1799 2814 0.0 -1 1 {} H 0.0 {0.215975 0.278664 0.0671061} H1800 2815 0.0 -1 1 {} H 0.0 {0.233653 0.294649 0.027863} H1801 2816 0.0 -1 8 {} O 0.0 {0.169167 0.284885 0.955964} O452 2817 0.0 -1 6 {} C 0.0 {0.173652 0.24667 0.92336} C452 2818 0.0 -1 1 {} H 0.0 {0.192433 0.257773 0.899603} H1802 2819 0.0 -1 1 {} H 0.0 {0.176338 0.21606 0.927858} H1803 2820 0.0 -1 1 {} H 0.0 {0.145655 0.244854 0.914494} H1804 2821 0.0 -1 1 {} H 0.0 {0.685146 0.725251 0.648349} H1805 2822 0.0 -1 1 {} H 0.0 {0.144048 0.276681 0.962119} H1806 2823 0.0 -1 1 {} H 0.0 {0.235068 0.216291 0.927683} H1807 2824 0.0 -1 1 {} H 0.0 {0.184266 0.17743 0.970047} H1808 2825 0.0 -1 14 {} Si 0.0 {0.482966 0.215279 0.218167} Si114 2826 0.0 -1 8 {} O 0.0 {0.538708 0.235128 0.231076} O453 2827 0.0 -1 6 {} C 0.0 {0.546571 0.1865 0.222821} C453 2828 0.0 -1 1 {} H 0.0 {0.555062 0.177441 0.250354} H1809 2829 0.0 -1 1 {} H 0.0 {0.529189 0.163397 0.21783} H1810 2830 0.0 -1 1 {} H 0.0 {0.566471 0.186486 0.197834} H1811 2831 0.0 -1 8 {} O 0.0 {0.454164 0.224029 0.269121} O454 2832 0.0 -1 6 {} C 0.0 {0.448203 0.174479 0.26396} C454 2833 0.0 -1 1 {} H 0.0 {0.456152 0.157404 0.239934} H1812 2834 0.0 -1 1 {} H 0.0 {0.465471 0.164115 0.286526} H1813 2835 0.0 -1 1 {} H 0.0 {0.416553 0.172506 0.26873} H1814 2836 0.0 -1 8 {} O 0.0 {0.472553 0.271206 0.205469} O455 2837 0.0 -1 6 {} C 0.0 {0.481323 0.286612 0.159161} C455 2838 0.0 -1 1 {} H 0.0 {0.465141 0.31023 0.151103} H1815 2839 0.0 -1 1 {} H 0.0 {0.510483 0.293467 0.159949} H1816 2840 0.0 -1 1 {} H 0.0 {0.475889 0.268398 0.137828} H1817 2841 0.0 -1 8 {} O 0.0 {0.437784 0.184342 0.191195} O456 2842 0.0 -1 6 {} C 0.0 {0.473586 0.190738 0.15818} C456 2843 0.0 -1 1 {} H 0.0 {0.483193 0.161336 0.157343} H1818 2844 0.0 -1 1 {} H 0.0 {0.457373 0.191144 0.130808} H1819 2845 0.0 -1 1 {} H 0.0 {0.497939 0.208713 0.151223} H1820 2846 0.0 -1 1 {} H 0.0 {0.786832 0.364159 0.649689} H1821 2847 0.0 -1 1 {} H 0.0 {0.421927 0.207286 0.187765} H1822 2848 0.0 -1 1 {} H 0.0 {0.547006 0.246448 0.206679} H1823 2849 0.0 -1 1 {} H 0.0 {0.430067 0.231305 0.258949} H1824 2850 0.0 -1 14 {} Si 0.0 {0.636033 0.514747 0.956583} Si115 2851 0.0 -1 8 {} O 0.0 {0.674645 0.509415 0.000656956} O457 2852 0.0 -1 6 {} C 0.0 {0.701529 0.533949 0.966425} C457 2853 0.0 -1 1 {} H 0.0 {0.724946 0.515747 0.960285} H1825 2854 0.0 -1 1 {} H 0.0 {0.701168 0.54989 0.939873} H1826 2855 0.0 -1 1 {} H 0.0 {0.711829 0.559043 0.983711} H1827 2856 0.0 -1 8 {} O 0.0 {0.641248 0.573615 0.950027} O458 2857 0.0 -1 6 {} C 0.0 {0.591149 0.568119 0.947111} C458 2858 0.0 -1 1 {} H 0.0 {0.571798 0.544613 0.954014} H1828 2859 0.0 -1 1 {} H 0.0 {0.582017 0.585539 0.970574} H1829 2860 0.0 -1 1 {} H 0.0 {0.586043 0.578157 0.918565} H1830 2861 0.0 -1 8 {} O 0.0 {0.617128 0.458267 0.94255} O459 2862 0.0 -1 6 {} C 0.0 {0.640141 0.477345 0.904248} C459 2863 0.0 -1 1 {} H 0.0 {0.618042 0.477641 0.882752} H1831 2864 0.0 -1 1 {} H 0.0 {0.65133 0.505172 0.893823} H1832 2865 0.0 -1 1 {} H 0.0 {0.663302 0.459493 0.895204} H1833 2866 0.0 -1 8 {} O 0.0 {0.593701 0.511 0.997585} O460 2867 0.0 -1 6 {} C 0.0 {0.590993 0.518141 0.045524} C460 2868 0.0 -1 1 {} H 0.0 {0.612195 0.506774 0.0628596} H1834 2869 0.0 -1 1 {} H 0.0 {0.593127 0.549485 0.0531487} H1835 2870 0.0 -1 1 {} H 0.0 {0.562419 0.509869 0.0523668} H1836 2871 0.0 -1 1 {} H 0.0 {0.574605 0.853361 0.845657} H1837 2872 0.0 -1 1 {} H 0.0 {0.588922 0.481649 0.994373} H1838 2873 0.0 -1 1 {} H 0.0 {0.663593 0.531359 0.0132449} H1839 2874 0.0 -1 1 {} H 0.0 {0.641566 0.588827 0.973103} H1840 2875 0.0 -1 14 {} Si 0.0 {0.233771 0.95395 0.500039} Si116 2876 0.0 -1 8 {} O 0.0 {0.276705 0.959627 0.458757} O461 2877 0.0 -1 6 {} C 0.0 {0.308028 0.996498 0.465832} C461 2878 0.0 -1 1 {} H 0.0 {0.314985 0.991851 0.494838} H1841 2879 0.0 -1 1 {} H 0.0 {0.332298 0.993623 0.44988} H1842 2880 0.0 -1 1 {} H 0.0 {0.294566 0.0220375 0.461917} H1843 2881 0.0 -1 8 {} O 0.0 {0.247191 0.894901 0.505828} O462 2882 0.0 -1 6 {} C 0.0 {0.214927 0.893992 0.468181} C462 2883 0.0 -1 1 {} H 0.0 {0.194105 0.875007 0.481036} H1844 2884 0.0 -1 1 {} H 0.0 {0.204861 0.915642 0.451698} H1845 2885 0.0 -1 1 {} H 0.0 {0.229386 0.879579 0.446284} H1846 2886 0.0 -1 8 {} O 0.0 {0.268913 0.965289 0.544796} O463 2887 0.0 -1 6 {} C 0.0 {0.22487 0.950724 0.563113} C463 2888 0.0 -1 1 {} H 0.0 {0.228573 0.921781 0.576671} H1847 2889 0.0 -1 1 {} H 0.0 {0.219351 0.975841 0.582493} H1848 2890 0.0 -1 1 {} H 0.0 {0.198975 0.938627 0.552646} H1849 2891 0.0 -1 8 {} O 0.0 {0.214309 0.00797671 0.489673} O464 2892 0.0 -1 6 {} C 0.0 {0.170265 0.987766 0.488461} C464 2893 0.0 -1 1 {} H 0.0 {0.161075 0.984506 0.517443} H1850 2894 0.0 -1 1 {} H 0.0 {0.152346 0.0101274 0.475452} H1851 2895 0.0 -1 1 {} H 0.0 {0.158436 0.964219 0.476597} H1852 2896 0.0 -1 1 {} H 0.0 {0.0452857 0.492291 0.885369} H1853 2897 0.0 -1 1 {} H 0.0 {0.21219 0.0188436 0.514604} H1854 2898 0.0 -1 1 {} H 0.0 {0.289853 0.935147 0.456874} H1855 2899 0.0 -1 1 {} H 0.0 {0.26967 0.894295 0.489699} H1856 2900 0.0 -1 14 {} Si 0.0 {0.103349 0.407596 0.344617} Si117 2901 0.0 -1 8 {} O 0.0 {0.141824 0.368657 0.328254} O465 2902 0.0 -1 6 {} C 0.0 {0.10051 0.340998 0.326843} C465 2903 0.0 -1 1 {} H 0.0 {0.106353 0.328326 0.2987} H1857 2904 0.0 -1 1 {} H 0.0 {0.104824 0.320055 0.350599} H1858 2905 0.0 -1 1 {} H 0.0 {0.0718158 0.346864 0.327241} H1859 2906 0.0 -1 8 {} O 0.0 {0.0786299 0.410728 0.291264} O466 2907 0.0 -1 6 {} C 0.0 {0.062875 0.453049 0.3121} C466 2908 0.0 -1 1 {} H 0.0 {0.0347003 0.446069 0.32346} H1860 2909 0.0 -1 1 {} H 0.0 {0.0757857 0.471475 0.332719} H1861 2910 0.0 -1 1 {} H 0.0 {0.0651826 0.466709 0.284643} H1862 2911 0.0 -1 8 {} O 0.0 {0.108979 0.423884 0.402952} O467 2912 0.0 -1 6 {} C 0.0 {0.0616246 0.407363 0.402245} C467 2913 0.0 -1 1 {} H 0.0 {0.0476034 0.434494 0.406525} H1863 2914 0.0 -1 1 {} H 0.0 {0.0478248 0.397859 0.378465} H1864 2915 0.0 -1 1 {} H 0.0 {0.0622274 0.387207 0.42538} H1865 2916 0.0 -1 8 {} O 0.0 {0.147138 0.447782 0.336814} O468 2917 0.0 -1 6 {} C 0.0 {0.16569 0.491726 0.336025} C468 2918 0.0 -1 1 {} H 0.0 {0.141578 0.510912 0.325983} H1866 2919 0.0 -1 1 {} H 0.0 {0.177462 0.500004 0.361239} H1867 2920 0.0 -1 1 {} H 0.0 {0.183967 0.496816 0.312601} H1868 2921 0.0 -1 1 {} H 0.0 {0.555899 0.0751877 0.183109} H1869 2922 0.0 -1 1 {} H 0.0 {0.167834 0.433905 0.349244} H1870 2923 0.0 -1 1 {} H 0.0 {0.153328 0.357729 0.352167} H1871 2924 0.0 -1 1 {} H 0.0 {0.0987998 0.419594 0.277947} H1872 2925 0.0 -1 14 {} Si 0.0 {0.651765 0.760305 0.701975} Si118 2926 0.0 -1 8 {} O 0.0 {0.647705 0.70608 0.723908} O469 2927 0.0 -1 6 {} C 0.0 {0.60086 0.724616 0.719179} C469 2928 0.0 -1 1 {} H 0.0 {0.591096 0.711026 0.744848} H1873 2929 0.0 -1 1 {} H 0.0 {0.588124 0.753247 0.720896} H1874 2930 0.0 -1 1 {} H 0.0 {0.591882 0.710742 0.69476} H1875 2931 0.0 -1 8 {} O 0.0 {0.703181 0.774297 0.73137} O470 2932 0.0 -1 6 {} C 0.0 {0.745276 0.784621 0.751623} C470 2933 0.0 -1 1 {} H 0.0 {0.744973 0.810733 0.762515} H1876 2934 0.0 -1 1 {} H 0.0 {0.74939 0.765924 0.776341} H1877 2935 0.0 -1 1 {} H 0.0 {0.76715 0.778949 0.732523} H1878 2936 0.0 -1 8 {} O 0.0 {0.686875 0.752456 0.6532} O471 2937 0.0 -1 6 {} C 0.0 {0.643117 0.765114 0.632493} C471 2938 0.0 -1 1 {} H 0.0 {0.642919 0.794905 0.630434} H1879 2939 0.0 -1 1 {} H 0.0 {0.647034 0.743017 0.612077} H1880 2940 0.0 -1 1 {} H 0.0 {0.616215 0.753306 0.6442} H1881 2941 0.0 -1 8 {} O 0.0 {0.634112 0.817447 0.687871} O472 2942 0.0 -1 6 {} C 0.0 {0.634597 0.814247 0.736624} C472 2943 0.0 -1 1 {} H 0.0 {0.607365 0.821842 0.750742} H1882 2944 0.0 -1 1 {} H 0.0 {0.643685 0.790576 0.755538} H1883 2945 0.0 -1 1 {} H 0.0 {0.658552 0.829462 0.746869} H1884 2946 0.0 -1 1 {} H 0.0 {0.250047 0.460128 0.96872} H1885 2947 0.0 -1 1 {} H 0.0 {0.607307 0.818866 0.686231} H1886 2948 0.0 -1 1 {} H 0.0 {0.648728 0.709311 0.750759} H1887 2949 0.0 -1 1 {} H 0.0 {0.705491 0.792022 0.70858} H1888 2950 0.0 -1 14 {} Si 0.0 {0.735703 0.407462 0.653129} Si119 2951 0.0 -1 8 {} O 0.0 {0.693733 0.439411 0.679894} O473 2952 0.0 -1 6 {} C 0.0 {0.728516 0.472037 0.664597} C473 2953 0.0 -1 1 {} H 0.0 {0.757214 0.474852 0.670011} H1889 2954 0.0 -1 1 {} H 0.0 {0.71985 0.485001 0.638928} H1890 2955 0.0 -1 1 {} H 0.0 {0.721612 0.490442 0.687732} H1891 2956 0.0 -1 8 {} O 0.0 {0.703583 0.371101 0.619288} O474 2957 0.0 -1 6 {} C 0.0 {0.726336 0.399514 0.584756} C474 2958 0.0 -1 1 {} H 0.0 {0.755623 0.401753 0.587233} H1892 2959 0.0 -1 1 {} H 0.0 {0.720533 0.382688 0.557705} H1893 2960 0.0 -1 1 {} H 0.0 {0.714974 0.426482 0.579824} H1894 2961 0.0 -1 8 {} O 0.0 {0.788812 0.385661 0.66364} O475 2962 0.0 -1 6 {} C 0.0 {0.804893 0.422627 0.63443} C475 2963 0.0 -1 1 {} H 0.0 {0.784121 0.437639 0.618077} H1895 2964 0.0 -1 1 {} H 0.0 {0.82171 0.440576 0.653685} H1896 2965 0.0 -1 1 {} H 0.0 {0.822581 0.403822 0.618837} H1897 2966 0.0 -1 8 {} O 0.0 {0.717906 0.37003 0.696816} O476 2967 0.0 -1 6 {} C 0.0 {0.681509 0.337584 0.703973} C476 2968 0.0 -1 1 {} H 0.0 {0.684794 0.320568 0.727521} H1898 2969 0.0 -1 1 {} H 0.0 {0.650906 0.349096 0.706582} H1899 2970 0.0 -1 1 {} H 0.0 {0.683251 0.320379 0.680106} H1900 2971 0.0 -1 1 {} H 0.0 {0.0236646 0.51453 0.855186} H1901 2972 0.0 -1 1 {} H 0.0 {0.736811 0.349574 0.691017} H1902 2973 0.0 -1 1 {} H 0.0 {0.701774 0.434639 0.707237} H1903 2974 0.0 -1 1 {} H 0.0 {0.718663 0.349906 0.617131} H1904 2975 0.0 -1 14 {} Si 0.0 {0.512737 0.849391 0.818667} Si120 2976 0.0 -1 8 {} O 0.0 {0.517097 0.908016 0.827823} O477 2977 0.0 -1 6 {} C 0.0 {0.469261 0.902673 0.817261} C477 2978 0.0 -1 1 {} H 0.0 {0.457132 0.875566 0.811843} H1905 2979 0.0 -1 1 {} H 0.0 {0.452445 0.912604 0.840594} H1906 2980 0.0 -1 1 {} H 0.0 {0.463427 0.915625 0.790356} H1907 2981 0.0 -1 8 {} O 0.0 {0.554739 0.839693 0.77814} O478 2982 0.0 -1 6 {} C 0.0 {0.512589 0.822729 0.757178} C478 2983 0.0 -1 1 {} H 0.0 {0.512273 0.838369 0.732043} H1908 2984 0.0 -1 1 {} H 0.0 {0.516285 0.794421 0.751167} H1909 2985 0.0 -1 1 {} H 0.0 {0.483592 0.831358 0.766713} H1910 2986 0.0 -1 8 {} O 0.0 {0.554639 0.842101 0.860332} O479 2987 0.0 -1 6 {} C 0.0 {0.559403 0.867668 0.901363} C479 2988 0.0 -1 1 {} H 0.0 {0.535476 0.882547 0.906247} H1911 2989 0.0 -1 1 {} H 0.0 {0.564628 0.853338 0.927747} H1912 2990 0.0 -1 1 {} H 0.0 {0.581399 0.887398 0.895398} H1913 2991 0.0 -1 8 {} O 0.0 {0.47483 0.837759 0.863324} O480 2992 0.0 -1 6 {} C 0.0 {0.454397 0.807841 0.829071} C480 2993 0.0 -1 1 {} H 0.0 {0.468068 0.792547 0.808947} H1914 2994 0.0 -1 1 {} H 0.0 {0.44842 0.782134 0.845877} H1915 2995 0.0 -1 1 {} H 0.0 {0.429956 0.817082 0.814089} H1916 2996 0.0 -1 1 {} H 0.0 {0.985361 0.189278 0.0676734} H1917 2997 0.0 -1 1 {} H 0.0 {0.48867 0.817239 0.87416} H1918 2998 0.0 -1 1 {} H 0.0 {0.513313 0.909199 0.854533} H1919 2999 0.0 -1 1 {} H 0.0 {0.551117 0.866284 0.768866} H1920 3000 0.0 -1 14 {} Si 0.0 {0.0744177 0.426284 0.917726} Si121 3001 0.0 -1 8 {} O 0.0 {0.053981 0.381661 0.889567} O481 3002 0.0 -1 6 {} C 0.0 {0.0205538 0.409791 0.866521} C481 3003 0.0 -1 1 {} H 0.0 {0.995156 0.395092 0.869403} H1921 3004 0.0 -1 1 {} H 0.0 {0.0130752 0.43802 0.874679} H1922 3005 0.0 -1 1 {} H 0.0 {0.0285817 0.411424 0.838727} H1923 3006 0.0 -1 8 {} O 0.0 {0.127443 0.409188 0.9002} O482 3007 0.0 -1 6 {} C 0.0 {0.160612 0.392512 0.933003} C482 3008 0.0 -1 1 {} H 0.0 {0.187881 0.398655 0.919981} H1924 3009 0.0 -1 1 {} H 0.0 {0.155458 0.404066 0.960699} H1925 3010 0.0 -1 1 {} H 0.0 {0.158819 0.363283 0.936139} H1926 3011 0.0 -1 8 {} O 0.0 {0.0520709 0.482247 0.912043} O483 3012 0.0 -1 6 {} C 0.0 {0.100846 0.488827 0.910954} C483 3013 0.0 -1 1 {} H 0.0 {0.104165 0.518536 0.908656} H1927 3014 0.0 -1 1 {} H 0.0 {0.121076 0.47711 0.931324} H1928 3015 0.0 -1 1 {} H 0.0 {0.110514 0.482175 0.88338} H1929 3016 0.0 -1 8 {} O 0.0 {0.0770642 0.398885 0.971732} O484 3017 0.0 -1 6 {} C 0.0 {0.0513296 0.441529 0.977126} C484 3018 0.0 -1 1 {} H 0.0 {0.0240939 0.441687 0.967943} H1930 3019 0.0 -1 1 {} H 0.0 {0.0496499 0.432812 0.00745083} H1931 3020 0.0 -1 1 {} H 0.0 {0.0545706 0.47296 0.974691} H1932 3021 0.0 -1 1 {} H 0.0 {0.184939 0.0651823 0.463594} H1933 3022 0.0 -1 1 {} H 0.0 {0.101616 0.407401 0.976622} H1934 3023 0.0 -1 1 {} H 0.0 {0.039051 0.370635 0.907764} H1935 3024 0.0 -1 1 {} H 0.0 {0.122372 0.386314 0.885938} H1936 3025 0.0 -1 14 {} Si 0.0 {0.618628 0.70241 0.116693} Si122 3026 0.0 -1 8 {} O 0.0 {0.576682 0.6652 0.102286} O485 3027 0.0 -1 6 {} C 0.0 {0.554245 0.622596 0.0891827} C485 3028 0.0 -1 1 {} H 0.0 {0.528612 0.622115 0.105709} H1937 3029 0.0 -1 1 {} H 0.0 {0.552205 0.630162 0.0604145} H1938 3030 0.0 -1 1 {} H 0.0 {0.567809 0.595885 0.0940699} H1939 3031 0.0 -1 8 {} O 0.0 {0.670327 0.67422 0.103643} O486 3032 0.0 -1 6 {} C 0.0 {0.673885 0.685275 0.151315} C486 3033 0.0 -1 1 {} H 0.0 {0.658119 0.709145 0.162117} H1940 3034 0.0 -1 1 {} H 0.0 {0.670827 0.660061 0.167883} H1941 3035 0.0 -1 1 {} H 0.0 {0.699616 0.699583 0.1533} H1942 3036 0.0 -1 8 {} O 0.0 {0.606611 0.734029 0.0892005} O487 3037 0.0 -1 6 {} C 0.0 {0.628209 0.77645 0.0923272} C487 3038 0.0 -1 1 {} H 0.0 {0.658046 0.780369 0.102286} H1943 3039 0.0 -1 1 {} H 0.0 {0.62566 0.782897 0.0610415} H1944 3040 0.0 -1 1 {} H 0.0 {0.608933 0.797261 0.106175} H1945 3041 0.0 -1 8 {} O 0.0 {0.607501 0.743234 0.160026} O488 3042 0.0 -1 6 {} C 0.0 {0.576463 0.708299 0.177673} C488 3043 0.0 -1 1 {} H 0.0 {0.562818 0.682973 0.166262} H1946 3044 0.0 -1 1 {} H 0.0 {0.592381 0.698226 0.200533} H1947 3045 0.0 -1 1 {} H 0.0 {0.554821 0.732457 0.184494} H1948 3046 0.0 -1 1 {} H 0.0 {0.754649 0.75584 0.195463} H1949 3047 0.0 -1 1 {} H 0.0 {0.587067 0.759336 0.14699} H1950 3048 0.0 -1 1 {} H 0.0 {0.552808 0.678319 0.106657} H1951 3049 0.0 -1 1 {} H 0.0 {0.683437 0.695436 0.0956162} H1952 3050 0.0 -1 14 {} Si 0.0 {0.195924 0.472209 0.00903291} Si123 3051 0.0 -1 8 {} O 0.0 {0.138609 0.45488 0.997561} O489 3052 0.0 -1 6 {} C 0.0 {0.131561 0.500226 0.0132679} C489 3053 0.0 -1 1 {} H 0.0 {0.122359 0.502939 0.0427689} H1953 3054 0.0 -1 1 {} H 0.0 {0.152854 0.520792 0.00982232} H1954 3055 0.0 -1 1 {} H 0.0 {0.115349 0.513152 0.991346} H1955 3056 0.0 -1 8 {} O 0.0 {0.213255 0.424291 0.0332329} O490 3057 0.0 -1 6 {} C 0.0 {0.188629 0.381512 0.0312195} C490 3058 0.0 -1 1 {} H 0.0 {0.172856 0.377245 0.00491103} H1956 3059 0.0 -1 1 {} H 0.0 {0.207397 0.358682 0.034396} H1957 3060 0.0 -1 1 {} H 0.0 {0.168352 0.380593 0.0536143} H1958 3061 0.0 -1 8 {} O 0.0 {0.224338 0.455801 0.95994} O491 3062 0.0 -1 6 {} C 0.0 {0.213455 0.502911 0.949075} C491 3063 0.0 -1 1 {} H 0.0 {0.21996 0.527301 0.963399} H1959 3064 0.0 -1 1 {} H 0.0 {0.237074 0.504187 0.929034} H1960 3065 0.0 -1 1 {} H 0.0 {0.187301 0.508512 0.933915} H1961 3066 0.0 -1 8 {} O 0.0 {0.242646 0.500699 0.0323222} O492 3067 0.0 -1 6 {} C 0.0 {0.210796 0.502994 0.0699817} C492 3068 0.0 -1 1 {} H 0.0 {0.229387 0.492637 0.0907652} H1962 3069 0.0 -1 1 {} H 0.0 {0.203548 0.531121 0.0747579} H1963 3070 0.0 -1 1 {} H 0.0 {0.181534 0.493215 0.0719155} H1964 3071 0.0 -1 1 {} H 0.0 {0.464734 0.610008 0.291025} H1965 3072 0.0 -1 1 {} H 0.0 {0.254627 0.47619 0.0349876} H1966 3073 0.0 -1 1 {} H 0.0 {0.135792 0.440276 0.0196657} H1967 3074 0.0 -1 1 {} H 0.0 {0.237265 0.41517 0.0172349} H1968 3075 0.0 -1 14 {} Si 0.0 {0.972916 0.558658 0.867536} Si124 3076 0.0 -1 8 {} O 0.0 {0.918671 0.555865 0.842512} O493 3077 0.0 -1 6 {} C 0.0 {0.931032 0.603686 0.847624} C493 3078 0.0 -1 1 {} H 0.0 {0.937051 0.612988 0.820979} H1969 3079 0.0 -1 1 {} H 0.0 {0.901519 0.616039 0.856506} H1970 3080 0.0 -1 1 {} H 0.0 {0.94854 0.620591 0.863909} H1971 3081 0.0 -1 8 {} O 0.0 {0.956445 0.515906 0.902838} O494 3082 0.0 -1 6 {} C 0.0 {0.969318 0.486937 0.940649} C494 3083 0.0 -1 1 {} H 0.0 {0.971589 0.458275 0.930185} H1972 3084 0.0 -1 1 {} H 0.0 {0.992033 0.498842 0.954538} H1973 3085 0.0 -1 1 {} H 0.0 {0.945287 0.485234 0.95799} H1974 3086 0.0 -1 8 {} O 0.0 {0.00556819 0.520782 0.837622} O495 3087 0.0 -1 6 {} C 0.0 {0.0247088 0.560558 0.815171} C495 3088 0.0 -1 1 {} H 0.0 {0.00986883 0.568239 0.793449} H1975 3089 0.0 -1 1 {} H 0.0 {0.0312047 0.585582 0.832975} H1976 3090 0.0 -1 1 {} H 0.0 {0.0511475 0.5477 0.808472} H1977 3091 0.0 -1 8 {} O 0.0 {0.0243023 0.577217 0.892829} O496 3092 0.0 -1 6 {} C 0.0 {0.991476 0.593454 0.92545} C496 3093 0.0 -1 1 {} H 0.0 {0.996956 0.577522 0.951145} H1978 3094 0.0 -1 1 {} H 0.0 {0.994891 0.622666 0.923197} H1979 3095 0.0 -1 1 {} H 0.0 {0.961112 0.587649 0.925226} H1980 3096 0.0 -1 1 {} H 0.0 {0.427327 0.300315 0.8929} H1981 3097 0.0 -1 1 {} H 0.0 {0.0358006 0.557232 0.905904} H1982 3098 0.0 -1 1 {} H 0.0 {0.906739 0.55216 0.865912} H1983 3099 0.0 -1 1 {} H 0.0 {0.950488 0.496272 0.886221} H1984 3100 0.0 -1 14 {} Si 0.0 {0.0558061 0.195555 0.0895077} Si125 3101 0.0 -1 8 {} O 0.0 {0.0802334 0.179536 0.0391652} O497 3102 0.0 -1 6 {} C 0.0 {0.118216 0.176265 0.0712855} C497 3103 0.0 -1 1 {} H 0.0 {0.129567 0.18454 0.0991711} H1985 3104 0.0 -1 1 {} H 0.0 {0.121133 0.145513 0.0701775} H1986 3105 0.0 -1 1 {} H 0.0 {0.132708 0.194902 0.0498582} H1987 3106 0.0 -1 8 {} O 0.0 {0.0363627 0.250902 0.0877193} O498 3107 0.0 -1 6 {} C 0.0 {0.0679096 0.253791 0.126817} C498 3108 0.0 -1 1 {} H 0.0 {0.0814488 0.232116 0.141469} H1988 3109 0.0 -1 1 {} H 0.0 {0.0883948 0.272348 0.11481} H1989 3110 0.0 -1 1 {} H 0.0 {0.0495586 0.264476 0.149539} H1990 3111 0.0 -1 8 {} O 0.0 {0.00985231 0.192919 0.053518} O499 3112 0.0 -1 6 {} C 0.0 {0.00495885 0.165484 0.0129368} C499 3113 0.0 -1 1 {} H 0.0 {0.029911 0.161943 0.999158} H1991 3114 0.0 -1 1 {} H 0.0 {0.997904 0.13832 0.0202234} H1992 3115 0.0 -1 1 {} H 0.0 {0.985602 0.177801 0.994294} H1993 3116 0.0 -1 8 {} O 0.0 {0.0273679 0.152654 0.120588} O500 3117 0.0 -1 6 {} C 0.0 {0.0701625 0.149201 0.146075} C500 3118 0.0 -1 1 {} H 0.0 {0.0744723 0.160063 0.172994} H1994 3119 0.0 -1 1 {} H 0.0 {0.0697781 0.116903 0.143912} H1995 3120 0.0 -1 1 {} H 0.0 {0.0951784 0.153056 0.130339} H1996 3121 0.0 -1 1 {} H 0.0 {0.622747 0.245843 0.514084} H1997 3122 0.0 -1 1 {} H 0.0 {0.0322613 0.133981 0.103339} H1998 3123 0.0 -1 1 {} H 0.0 {0.0860863 0.203925 0.0287375} H1999 3124 0.0 -1 1 {} H 0.0 {0.0107189 0.247727 0.099878} 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 2344 2342 0 0 693 692 0 0 703 702 0 0 3085 3082 0 0 2985 2982 0 0 838 837 0 0 1119 1117 0 0 1120 1117 0 0 2774 2756 0 0 20 17 0 0 2497 2386 0 0 348 326 0 0 1244 1242 0 0 2728 2727 0 0 1966 1950 0 0 1615 1612 0 0 2747 2741 0 0 2853 2852 0 0 2228 2227 0 0 1495 1492 0 0 1505 1502 0 0 210 207 0 0 209 207 0 0 2101 2100 0 2 301 300 0 0 364 362 0 0 1866 1721 0 0 2353 2352 0 0 2479 2477 0 0 2480 2477 0 0 1238 1237 0 0 2090 2087 0 0 2089 2087 0 0 647 641 0 0 1989 1987 0 0 1990 1987 0 0 2324 2306 0 0 1048 1026 0 0 2614 2612 0 0 638 637 0 0 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0} 0 1843 139 137 {0 0 0} 0 1844 2562 2565 {0 0 0} 0 1845 304 302 {0 0 0} 0 1846 294 292 {0 0 0} 0 1847 2308 2307 {0 0 0} 0 1848 2433 2432 {0 0 0} 0 1849 1417 1420 {0 -1 0} 0 1850 868 867 {0 0 0} 0 1851 832 833 {0 -1 0} 0 1852 240 237 {0 0 0} 0 1853 239 237 {0 0 0} 0 1854 2442 2445 {0 0 0} 0 1855 404 402 {0 0 0} 0 1856 394 392 {0 0 0} 0 1857 2178 2177 {0 0 0} 0 1858 1326 1325 {0 0 0} 0 1859 2313 2312 {0 0 0} 0 1860 968 967 {0 0 0} 0 1861 340 337 {0 0 0} 0 1862 339 337 {0 0 0} 0 1863 504 502 {0 0 0} 0 1864 494 492 {0 0 0} 0 1865 2058 2057 {0 0 0} 0 1866 1958 1957 {0 0 0} 0 1867 2183 2182 {0 0 0} 0 1868 92 95 {0 0 0} 0 1869 440 437 {0 0 0} 0 1870 439 437 {0 0 0} 0 1871 2202 2205 {0 0 0} 0 1872 2192 2195 {0 0 0} 0 1873 594 592 {0 0 0} 0 1874 604 602 {0 0 0} 0 1875 2871 2986 {0 0 0} 0 1876 1838 1837 {0 0 0} 0 1877 1626 1648 {0 0 0} 0 1878 1049 1031 {0 0 0} 0 1879 2063 2062 {0 0 0} 0 1880 1963 1962 {0 0 0} 0 1881 1751 1773 {0 0 0} 0 1882 431 425 {0 0 0} 0 1883 1072 1066 {0 0 0} 0 1884 539 537 {0 0 0} 0 1885 540 537 {0 0 0} 0 1886 694 692 {0 0 0} 0 1887 704 702 {0 0 0} 0 1888 1718 1717 {0 0 0} 0 1889 1843 1842 {0 0 0} 0 1890 1967 1966 {0 0 0} 0 1891 2561 3071 {0 0 0} 0 1892 639 637 {0 0 0} 0 1893 640 637 {0 0 0} 0 1894 1852 1855 {0 0 0} 0 1895 3101 3123 {0 0 0} 0 1896 794 792 {0 0 0} 0 1897 804 802 {0 0 0} 0 1898 1588 1587 {0 0 0} 0 1899 1376 1398 {0 0 0} 0 1900 2322 2316 {0 0 0} 0 1901 165 162 {0 0 0} 0 1902 183 182 {0 0 0} 0 1903 3058 3057 {0 0 0} 0 1904 2958 2957 {0 0 0} 0 1905 739 737 {0 0 0} 0 1906 740 737 {0 0 0} 0 1907 1732 1735 {0 0 0} 0 1908 894 892 {0 0 0} 0 1909 904 902 {0 0 0} 0 1910 1506 1524 {0 0 0} 0 1911 1468 1467 {0 0 0} 0 1912 1081 1075 {0 0 0} 0 1913 1593 1592 {0 0 0} 0 1914 1603 1602 {0 0 0} 0 1915 128 127 {0 0 0} 0 1916 265 262 {0 0 0} 0 1917 1021 1136 {0 0 0} 0 1918 283 282 {0 0 0} 0 1919 2838 2837 {0 0 0} 0 1920 2626 2648 {0 0 0} 0 1921 2076 2075 {0 0 0} 0 1922 2049 2031 {0 0 0} 0 1923 1949 1931 {0 0 0} 0 1924 839 837 {0 0 0} 0 1925 840 837 {0 0 0} 0 1926 3063 3062 {0 0 0} 0 1927 2963 2962 {0 0 0} 0 1928 2751 2773 {0 0 0} 0 1929 994 992 {0 0 0} 0 1930 228 227 {0 0 0} 0 1931 2072 2066 {0 0 0} 0 1932 365 362 {0 0 0} 0 1933 1972 1966 {0 0 0} 0 1934 383 382 {0 0 0} 0 1935 2718 2717 {0 0 0} 0 1936 2331 2325 {0 0 0} 0 1937 939 937 {0 0 0} 0 1938 940 937 {0 0 0} 0 1939 2843 2842 {0 0 0} 0 1940 1256 1274 {0 0 0} 0 1941 2457 2458 {0 1 0} 0 1942 1353 1352 {0 0 0} 0 1943 328 327 {0 0 0} 0 1944 465 462 {0 0 0} 0 1945 483 482 {0 0 0} 0 1946 2588 2587 {0 0 0} 0 1947 1699 1681 {0 0 0} 0 1948 1856 2124 {0 0 0} 0 1949 1108 1107 {0 0 0} 0 1950 1233 1232 {0 0 0} 0 1951 428 427 {0 0 0} 0 1952 565 562 {0 0 0} 0 1953 583 582 {0 0 0} 0 1954 2506 2524 {0 0 0} 0 1955 2468 2467 {0 0 0} 0 1956 2603 2602 {0 0 0} 0 1957 2593 2592 {0 0 0} 0 1958 2021 2136 {0 0 0} 0 1959 1113 1112 {0 0 0} 0 1960 528 527 {0 0 0} 0 1961 3049 3031 {0 0 0} 0 1962 2949 2931 {0 0 0} 0 1963 665 662 {0 0 0} 0 1964 683 682 {0 0 0} 0 1965 906 2522 {0 0 0} 0 1966 3072 3066 {0 0 0} 0 1967 2972 2966 {0 0 0} 0 1968 628 627 {0 0 0} 0 1969 765 762 {0 0 0} 0 1970 783 782 {0 0 0} 0 1971 2256 2274 {0 0 0} 0 1972 154 152 {0 0 0} 0 1973 1671 1786 {0 0 0} 0 1974 728 727 {0 0 0} 0 1975 2699 2681 {0 0 0} 0 1976 865 862 {0 0 0} 0 1977 883 882 {0 0 0} 0 1978 2746 2751 {0 0 0} 0 1979 254 252 {0 0 0} 0 1980 828 827 {0 0 0} 0 1981 965 962 {0 0 0} 0 1982 983 982 {0 0 0} 0 1983 190 187 {0 0 0} 0 1984 354 352 {0 0 0} 0 1985 1801 1823 {0 0 0} 0 1986 928 927 {0 0 0} 0 1987 1122 1116 {0 0 0} 0 1988 290 287 {0 0 0} 0 1989 289 287 {0 0 0} 0 1990 454 452 {0 0 0} 0 1991 2611 3121 {0 0 0} 0 1992 2671 2786 {0 0 0} 0 1993 390 387 {0 0 0} 0 1994 389 387 {0 0 0} 0 1995 1426 1448 {0 0 0} 0 1996 554 552 {0 0 0} 0 1997 1551 1573 {0 0 0} 0 1998 490 487 {0 0 0} 0 1999 489 487 {0 0 0} 0 2000 654 652 {0 0 0} 0 2001 2793 2792 {0 0 -1} 0 2002 1806 2763 {0 0 0} 0 2003 589 587 {0 0 0} 0 2004 590 587 {0 0 0} 0 2005 754 752 {0 0 0} 0 2006 143 142 {0 0 0} 0 2007 1306 1324 {0 0 0} 0 2008 689 687 {0 0 0} 0 2009 690 687 {0 0 0} 0 2010 1886 2396 {0 0 0} 0 2011 243 242 {0 0 0} 0 2012 1749 1731 {0 0 0} 0 2013 726 725 {0 0 0} 0 2014 789 787 {0 0 0} 0 2015 790 787 {0 0 0} 0 2016 954 952 {0 0 0} 0 2017 178 177 {0 0 0} 0 2018 343 342 {0 0 0} 0 2019 889 887 {0 0 0} 0 2020 890 887 {0 0 0} 0 2021 278 277 {0 0 0} 0 2022 443 442 {0 0 0} 0 2023 1499 1481 {0 0 0} 0 2024 989 987 {0 0 0} 0 2025 990 987 {0 0 0} 0 2026 378 377 {0 0 0} 0 2027 543 542 {0 0 0} 0 2028 2749 2731 {0 0 0} 0 2029 478 477 {0 0 0} 0 2030 643 642 {0 0 0} 0 2031 2 5 {0 0 0} 0 2032 1074 2376 {0 0 0} 0 2033 578 577 {0 0 0} 0 2034 743 742 {0 0 0} 0 2035 114 112 {0 0 0} 0 2036 2499 2481 {0 0 0} 0 2037 211 96 {0 0 0} 0 2038 678 677 {0 0 0} 0 2039 843 842 {0 0 0} 0 2040 214 212 {0 0 0} 0 2041 778 777 {0 0 0} 0 2042 943 942 {0 0 0} 0 2043 314 312 {0 0 0} 0 2044 878 877 {0 0 0} 0 2045 414 412 {0 0 0} 0 2046 978 977 {0 0 0} 0 2047 514 512 {0 0 0} 0 2048 1936 2446 {0 0 0} 0 2049 614 612 {0 0 0} 0 2050 714 712 {0 0 0} 0 2051 103 102 {0 0 0} 0 2052 52 55 {0 0 0} 0 2053 814 812 {0 0 0} 0 2054 203 202 {0 0 0} 0 2055 193 192 {0 0 0} 0 2056 914 912 {0 0 0} 0 2057 138 137 {0 0 0} 0 2058 303 302 {0 0 0} 0 2059 293 292 {0 0 0} 0 2060 238 237 {0 0 0} 0 2061 403 402 {0 0 0} 0 2062 393 392 {0 0 0} 0 2063 338 337 {0 0 0} 0 2064 503 502 {0 0 0} 0 2065 493 492 {0 0 0} 0 2066 438 437 {0 0 0} 0 2067 603 602 {0 0 0} 0 2068 538 537 {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 ? {} {} {} {}}} } } }