65
Compound 15 
 C                 -0.29555600    1.54464000    0.70778000
 C                 -0.52436000    2.17388300   -0.65136000
 C                 -1.84916100    2.33275800   -0.85200300
 C                 -2.57579600    1.90789700    0.35959900
 C                 -1.68775400    1.49571600    1.28801600
 C                  0.65137800    2.38875000    1.57489700
 H                  1.64087800    2.45667000    1.12274100
 H                  0.25234200    3.40225900    1.68093900
 H                  0.76733600    1.96290700    2.57495600
 C                 -1.93328500    1.20412900    2.73897100
 H                 -1.12273400    0.61292500    3.16898500
 H                 -1.97759500    2.13959200    3.30841700
 H                 -2.87104600    0.67161100    2.91589800
 C                 -4.06578100    1.99960000    0.48124500
 H                 -4.55768700    1.33369900   -0.23708500
 H                 -4.40744900    1.72614600    1.48071300
 H                 -4.41630900    3.01440900    0.27042600
 C                 -2.54528900    2.90904800   -2.04781900
 H                 -3.36644600    2.26608800   -2.37916800
 H                 -2.98074300    3.88591700   -1.81364600
 H                 -1.86238100    3.03953600   -2.88738600
 C                  0.60706300    2.60416100   -1.53062300
 H                  1.41000400    1.86284300   -1.54473500
 H                  0.28638200    2.76617900   -2.56062100
 H                  1.04165400    3.54194700   -1.16351000
 B                  0.24956900    0.05109100    0.44747600
 C                  1.33477700   -0.91684900    1.39611700
 C                  0.02045700   -1.45433200    1.33287500
 C                 -0.54012300   -1.41113900    0.00124700
 C                  1.84402700   -0.52769100    0.09319800
 Ge                 0.76027900   -1.10764800   -1.45560000
 Si                 3.57920300    0.12024400   -0.20050700
 Si                -2.29233000   -1.89126800   -0.47372900
 C                  2.03140600   -0.59999400    2.69665200
 H                  2.60626300   -1.47054300    3.02508900
 H                  2.72588700    0.23098500    2.57110000
 H                  1.33371300   -0.33498600    3.49197700
 C                 -0.76369700   -1.90146200    2.53673500
 H                 -1.75639800   -1.45792300    2.56193900
 H                 -0.88977000   -2.98612100    2.46204300
 H                 -0.25623300   -1.69115100    3.47734700
 C                  3.91737600    0.10046000   -2.05075800
 H                  4.94361100    0.43117200   -2.23605900
 H                  3.80941700   -0.90572400   -2.46414400
 H                  3.24850500    0.75927700   -2.61028100
 C                  4.76080800   -1.09769500    0.62101300
 H                  5.78627200   -0.91124300    0.28948000
 H                  4.74653500   -1.01623200    1.71040900
 H                  4.50235900   -2.12621900    0.35584000
 C                  4.02349500    1.84905500    0.41480500
 H                  3.47110900    2.62780000   -0.11726100
 H                  3.86365600    1.98794400    1.48660100
 H                  5.08832100    2.01030800    0.21767400
 C                 -2.77833700   -0.97841300   -2.04066400
 H                 -2.05942300   -1.14504700   -2.84682800
 H                 -3.75930200   -1.31934100   -2.38479700
 H                 -2.82882000    0.09715800   -1.85884900
 C                 -3.65126000   -1.61667600    0.80816200
 H                 -4.62016900   -1.74272400    0.31443100
 H                 -3.60460000   -2.34184700    1.62391800
 H                 -3.61957800   -0.60927800    1.22628600
 C                 -2.23154200   -3.74063500   -0.83282100
 H                 -3.21138600   -4.11272700   -1.14521300
 H                 -1.51670000   -3.95866600   -1.63074400
 H                 -1.92555900   -4.30526000    0.05266200

65
Compound 2c 
 C                  0.33060000    1.21018000    0.28733400
 C                 -0.77804900    1.98802700    0.83223900
 C                 -1.75084500   -0.12229000    0.32041400
 C                 -1.97200700    1.20479100    0.87814300
 Ge                -1.25064800    1.36231500   -1.21786300
 B                 -0.20716200   -0.24837400    0.09157300
 C                  0.65646000   -1.59063000   -0.11809300
 C                  1.78021900   -1.50412200   -1.11842600
 C                  1.39242400   -1.82510500    1.18899000
 C                  2.96015200   -1.69774400   -0.49176800
 C                  2.71678600   -1.90493100    0.94899400
 C                  4.33795600   -1.71605000   -1.08112000
 H                  4.95217000   -0.90371900   -0.67595700
 H                  4.85312600   -2.65160600   -0.84416600
 H                  4.31998400   -1.60928200   -2.16619800
 C                  1.50994400   -1.32441700   -2.57851800
 H                  0.92744000   -0.41493300   -2.76344200
 H                  2.42766100   -1.25292800   -3.16372800
 H                  0.92923500   -2.16400500   -2.97538800
 C                 -0.16044100   -2.85789700   -0.42997500
 H                 -0.97513700   -2.99859500    0.28384600
 H                 -0.58759900   -2.81440300   -1.43034700
 H                  0.49538200   -3.73256600   -0.37534800
 C                  0.66270300   -1.96108800    2.48787700
 H                  1.33946200   -2.17908400    3.31472000
 H                  0.11525900   -1.04250900    2.72732500
 H                 -0.07827400   -2.76684800    2.44236400
 C                  3.82718600   -2.17797100    1.91748100
 H                  4.33379900   -3.11732700    1.67460100
 H                  4.58415200   -1.38816900    1.88658800
 H                  3.46334200   -2.24985300    2.94258300
 C                 -0.74002600    3.41452300    1.31457400
 H                 -0.28472700    4.07796800    0.58461800
 H                 -1.74098700    3.79036400    1.51838900
 H                 -0.15356700    3.48305400    2.23546300
 C                 -3.24544000    1.69932300    1.52181100
 H                 -3.00972800    2.38477000    2.33575700
 H                 -3.91365700    2.21284800    0.82817100
 H                 -3.79063300    0.86248200    1.95603400
 Si                 2.06889000    1.93261200    0.02454800
 Si                -3.25021800   -1.23385700   -0.02980000
 C                  3.26900000    1.26179100    1.31771800
 H                  3.84521600    2.08264500    1.75320900
 H                  2.75018100    0.73418300    2.12084200
 H                  3.97055500    0.55908700    0.86525700
 C                  2.73801600    1.65907000   -1.71654300
 H                  1.99010200    1.90137200   -2.47731700
 H                  3.58460800    2.33662300   -1.86453700
 H                  3.08633100    0.64257700   -1.88699400
 C                  2.15639900    3.81812400    0.19372300
 H                  1.91047800    4.19276100    1.18809500
 H                  3.19984000    4.08430100   -0.00528200
 H                  1.54609300    4.34708200   -0.54312600
 C                 -4.80094200   -0.19878400   -0.37830000
 H                 -5.28852700    0.19794700    0.51190600
 H                 -4.58788600    0.63933500   -1.04965900
 H                 -5.52575000   -0.84155500   -0.88563000
 C                 -3.60756200   -2.32617600    1.46113400
 H                 -3.79415600   -1.71852800    2.35098800
 H                 -4.49528600   -2.93956800    1.28235700
 H                 -2.77486000   -2.99547200    1.68847700
 C                 -3.08485500   -2.28220400   -1.59428200
 H                 -2.42772800   -1.81636600   -2.33346500
 H                 -2.71248800   -3.28696400   -1.39561800
 H                 -4.07435000   -2.37840200   -2.04854500

65
Compound TS2c 
 C                  0.74845300   -1.62199800    1.01400200
 C                 -0.67778000   -1.63475600    1.03548200
 C                 -1.22603600   -0.55464900    0.22559100
 C                  1.25347300   -0.52267900    0.19763500
 Ge                 0.01703900   -1.84183500   -1.04964900
 C                 -0.08862900    3.09512600    0.92273000
 C                  1.08233000    2.72159600    0.24140800
 C                 -1.21194600    2.69002800    0.18602600
 C                  0.70367800    2.01919100   -0.92764300
 C                 -0.75038600    1.98905100   -0.96126200
 C                 -0.09744000    3.77255600    2.26459900
 H                 -1.11008100    3.90765800    2.64481200
 H                  0.45543300    3.18766500    3.00564900
 H                  0.37271300    4.75946400    2.21619000
 C                  2.47334200    2.97290500    0.73690400
 H                  3.14465500    3.28769200   -0.06673900
 H                  2.47200600    3.77057900    1.48269900
 H                  2.91636600    2.09047100    1.21538400
 C                  1.52898200    1.82982500   -2.17264700
 H                  1.07117800    2.36528500   -3.00920800
 H                  2.52530500    2.24302100   -2.03528400
 H                  1.63835000    0.78496200   -2.47705800
 C                 -2.64185200    2.93614000    0.56349700
 H                 -2.71832400    3.78355700    1.24661000
 H                 -3.25161500    3.18366100   -0.30936700
 H                 -3.10755800    2.07869900    1.06270400
 C                 -1.50436400    1.79053100   -2.25043000
 H                 -1.05567800    2.39724600   -3.04268400
 H                 -1.51401800    0.75417000   -2.60001200
 H                 -2.53666800    2.11457500   -2.14739200
 C                 -1.40264100   -2.62640400    1.91531900
 H                 -2.48051300   -2.50318000    1.90509200
 H                 -1.17819600   -3.65956900    1.64083100
 H                 -1.06724700   -2.48362400    2.94714800
 C                  1.51197600   -2.60240300    1.87096600
 H                  1.09064900   -3.60629000    1.79858200
 H                  2.56936800   -2.66385400    1.63645500
 H                  1.42995600   -2.28727400    2.91697400
 C                 -4.11046400    0.30422300   -1.22866400
 H                 -3.78844700    0.17897100   -2.26240600
 H                 -5.12215200   -0.11075400   -1.14934800
 H                 -4.17621000    1.36404800   -0.99600300
 C                 -3.94245800   -0.45847600    1.68516100
 H                 -4.48424300   -1.35378600    2.00326200
 H                 -3.21792700   -0.20826300    2.46350500
 H                 -4.66839300    0.35671700    1.63187800
 C                 -3.44062000   -2.46810300   -0.65178600
 H                 -4.50304500   -2.70771200   -0.54270300
 H                 -3.21412600   -2.50076000   -1.72256800
 H                 -2.86739400   -3.26284100   -0.17297200
 C                  3.93361200   -0.48162800    1.69537000
 H                  3.18685100   -0.35379600    2.48177100
 H                  4.53104400   -1.36481700    1.93916600
 H                  4.60215700    0.38236200    1.72891200
 C                  3.50781100   -2.31858900   -0.81242200
 H                  3.30867000   -2.25562300   -1.88744700
 H                  4.56790300   -2.56551600   -0.69783900
 H                  2.92307400   -3.15389200   -0.42388000
 C                  4.17544200    0.50220300   -1.12172800
 H                  5.19584800    0.12201000   -0.99259300
 H                  3.93359500    0.43067700   -2.18167100
 H                  4.18005300    1.54729900   -0.82103900
 Si                 3.14783300   -0.62971500   -0.02633000
 Si                -3.11434000   -0.71548000   -0.00334600
 B                 -0.00288300    0.34401500   -0.19877100

65
Compound 3
 C                  0.71200600   -0.82977600    1.53527800
 C                 -0.70638800   -0.82898400    1.53615300
 C                 -1.31277300   -0.99292400    0.23533100
 C                  1.31695800   -0.99106800    0.23374800
 Ge                 0.00198100   -1.53816400   -1.17831500
 Al                -0.00088900    0.67362800   -0.00694800
 C                 -0.00912300    2.56195600    1.02522100
 C                  1.15000400    2.54878700    0.17968600
 C                 -1.16383100    2.54580500    0.17405000
 C                  0.70587800    2.52403700   -1.17214500
 C                 -0.71282200    2.52177600   -1.17549800
 C                 -0.00960300    2.67176900    2.52311400
 H                 -0.90972100    2.23099800    2.95464500
 H                  0.84934300    2.16015800    2.96130500
 H                  0.03138100    3.71960400    2.83375800
 C                  2.57868600    2.60984100    0.63105900
 H                  3.22321400    2.00616600   -0.01061400
 H                  2.94759500    3.63946300    0.60367700
 H                  2.69179000    2.24611100    1.65373000
 C                  1.55760000    2.45158300   -2.40434100
 H                  1.23463500    3.19827200   -3.13400100
 H                  2.60604900    2.64442200   -2.17433800
 H                  1.49005800    1.46900300   -2.88366500
 C                 -2.59601000    2.60056800    0.61525600
 H                 -2.97072600    3.62782300    0.58011100
 H                 -3.23228900    1.99006300   -0.02818000
 H                 -2.71519900    2.24071500    1.63846300
 C                 -1.55841600    2.44499700   -2.41170600
 H                 -1.23233500    3.18946200   -3.14223600
 H                 -1.48806500    1.46088600   -2.88756100
 H                 -2.60811000    2.63796200   -2.18748800
 C                 -1.54650000   -0.60913600    2.77372600
 H                 -2.05502100   -1.53945400    3.04648000
 H                 -0.96673600   -0.28720800    3.63718000
 H                 -2.32557400    0.13425400    2.59311200
 C                  1.55466800   -0.62032400    2.77285200
 H                  0.97452800   -0.32344100    3.64492000
 H                  2.07549500   -1.54938700    3.02568700
 H                  2.32446500    0.13546300    2.60344700
 C                 -3.54994100   -0.65401900   -1.83127000
 H                 -2.81981000   -0.97953100   -2.57734400
 H                 -4.53467500   -1.01663300   -2.14026000
 H                 -3.57709400    0.43842800   -1.84624900
 C                 -4.40047900   -0.65245200    1.09675200
 H                 -5.39382800   -0.84956000    0.68058600
 H                 -4.34452900   -1.16275900    2.06096300
 H                 -4.32744000    0.42158400    1.27640100
 C                 -3.34587200   -3.19009200   -0.13736400
 H                 -4.39147300   -3.46243400   -0.30783600
 H                 -2.74010200   -3.64837000   -0.92342000
 H                 -3.03445800   -3.62446900    0.81694400
 C                  4.40336600   -0.63828600    1.09400800
 H                  4.35396500   -1.15211300    2.05667800
 H                  5.39729400   -0.82589300    0.67483100
 H                  4.32200800    0.43450900    1.27754100
 C                  3.35889800   -3.18069200   -0.14045100
 H                  2.75464100   -3.64106200   -0.92644700
 H                  4.40554100   -3.44859800   -0.31154100
 H                  3.04974800   -3.61689700    0.81375900
 C                  3.55237300   -0.64219900   -1.83283900
 H                  4.53716300   -1.00306100   -2.14368100
 H                  2.82174400   -0.96662700   -2.57888300
 H                  3.57857900    0.45032300   -1.84498100
 Si                 3.12308200   -1.31083500   -0.12657800
 Si                -3.11779400   -1.31924200   -0.12433600
 
 65
Compound TS3/14 
  C                 -0.68974100    1.04627400    1.41353900
  C                  0.68975700    1.04629000    1.41352600
  C                  1.32903700    0.77843200    0.05788100
  C                 -1.32904200    0.77838000    0.05790200
  Ge                -0.00001800    1.96060100   -0.88940300
  Al                -0.00000700   -0.72942500   -0.06798100
  C                 -0.00008900   -2.50203500    1.20700600
  C                 -1.15506600   -2.59956800    0.36650200
  C                  1.15499500   -2.59953200    0.36664500
  C                 -0.71279000   -2.71175100   -0.97688400
  C                  0.71289900   -2.71174000   -0.97679600
  C                 -0.00012900   -2.39852000    2.70700500
  H                  0.87898500   -1.86172200    3.06903400
  H                 -0.87984000   -1.86271300    3.06904400
  H                  0.00043300   -3.38992900    3.16882300
  C                 -2.58012500   -2.59293000    0.82596000
  H                 -3.23196200   -2.12349000    0.08735400
  H                 -2.93846000   -3.61285600    0.99558200
  H                 -2.69249300   -2.04186500    1.76130900
  C                 -1.56542200   -2.85294100   -2.20517000
  H                 -1.27013300   -3.74101900   -2.77067800
  H                 -2.61789800   -2.96463700   -1.94353700
  H                 -1.47883700   -1.99313000   -2.87601300
  C                  2.57997100   -2.59286200    0.82636300
  H                  2.93817300   -3.61275900    0.99644400
  H                  3.23199500   -2.12376600    0.08770500
  H                  2.69220800   -2.04145800    1.76153100
  C                  1.56567500   -2.85292900   -2.20498200
  H                  1.27030000   -3.74088400   -2.77063500
  H                  1.47934500   -1.99302000   -2.87573300
  H                  2.61809500   -2.96484900   -1.94321600
  C                  1.56211600    1.13278500    2.63464400
  H                  2.22303300    2.00295900    2.57258400
  H                  0.99687500    1.20753500    3.56247600
  H                  2.21309800    0.25355400    2.69356200
  C                 -1.56208100    1.13276800    2.63466700
  H                 -0.99684000    1.20773200    3.56248300
  H                 -2.22314700    2.00282200    2.57250700
  H                 -2.21291300    0.25343500    2.69369900
  C                  3.52155400    0.34508900   -1.97906800
  H                  2.78243500    0.63074400   -2.73441000
  H                  4.50359800    0.66870400   -2.33521400
  H                  3.52906100   -0.74613400   -1.91903200
  C                  4.41365800    0.56966500    0.93810400
  H                  5.40107600    0.68301900    0.47871700
  H                  4.40025400    1.19582500    1.83327900
  H                  4.31356400   -0.46964000    1.25228300
  C                  3.37676000    2.99679400   -0.48084400
  H                  4.43506500    3.22670600   -0.63566200
  H                  2.81578500    3.41555500   -1.32054100
  H                  3.05225700    3.52079900    0.42404800
  C                 -4.41370400    0.56955100    0.93801800
  H                 -4.40039800    1.19573200    1.83318200
  H                 -5.40109700    0.68283800    0.47855900
  H                 -4.31357300   -0.46973800    1.25222600
  C                 -3.37672300    2.99682100   -0.48059500
  H                 -2.81577000    3.41566700   -1.32026400
  H                 -4.43502900    3.22677400   -0.63534700
  H                 -3.05217500    3.52071400    0.42434600
  C                 -3.52147100    0.34531800   -1.97917400
  H                 -4.50350500    0.66897300   -2.33531300
  H                 -2.78232600    0.63110500   -2.73444200
  H                 -3.52896300   -0.74591700   -1.91931900
  Si                -3.11176000    1.13183800   -0.31578400
  Si                 3.11177200    1.13183800   -0.31580600

  65
  Compound 14 
   C                 -1.36939300   -0.65104200    0.17262000
   C                 -0.74043300   -1.70443700    0.98936200
   C                  1.33346800   -0.68775600    0.16740900
   C                  0.68948900   -1.71202600    0.99736600
   Ge                -0.04403700   -1.84401800   -1.06759000
   C                  0.10056900    2.62078000    1.39640700
   C                  1.23260400    2.65536400    0.53259200
   C                 -1.07559400    2.71552000    0.59842600
   C                  0.75960500    2.69197400   -0.80475300
   C                 -0.67612000    2.73008900   -0.76470500
   C                  1.54456600    2.87362400   -2.07271200
   H                  1.39129900    2.05464600   -2.78000600
   H                  1.23397200    3.79697700   -2.57066700
   H                  2.61293700    2.94367200   -1.87849400
   C                  2.65599300    2.63297300    1.00189200
   H                  2.98463900    1.62460400    1.27012600
   H                  3.33134500    3.01449000    0.23519500
   C                  0.14597700    2.54595200    2.89672500
   H                 -0.74446000    2.05570500    3.29550600
   H                  1.01670300    1.98109800    3.23678800
   H                  0.20339400    3.54496400    3.34007500
   C                 -2.47264300    2.76685800    1.14038100
   H                 -2.49868900    3.34683500    2.06519100
   H                 -3.15109700    3.24541700    0.43290000
   H                 -2.86359300    1.76862700    1.35931800
   C                 -1.51823500    2.98451800   -1.98167000
   H                 -1.25677100    3.95570000   -2.41352400
   H                 -1.36201400    2.23162000   -2.75840000
   H                 -2.57955000    2.99906100   -1.74410800
   C                 -1.51967800   -2.69168200    1.82238800
   H                 -0.92502500   -3.55943500    2.10340200
   H                 -1.85841900   -2.19786900    2.74026700
   H                 -2.40849300   -3.04966800    1.30472200
   C                  1.43335100   -2.73029500    1.83837500
   H                  1.14633600   -2.61803900    2.88830600
   H                  1.20672100   -3.75639700    1.54074600
   H                  2.51093100   -2.59506400    1.78183700
   Si                -3.18435600   -0.83116300   -0.22829400
   Si                 3.13768500   -0.92482600   -0.24952700
   C                 -4.29118700   -0.82781900    1.31010400
   H                 -5.31738500   -0.57440700    1.02696400
   H                 -4.31751200   -1.80515000    1.79694300
   H                 -3.96278100   -0.09905100    2.05556700
   C                 -3.81100900    0.53326800   -1.36245000
   H                 -3.16308700    0.66274700   -2.23239300
   H                 -4.80350500    0.25081400   -1.72711200
   H                 -3.90928500    1.49257100   -0.85360500
   C                 -3.52329600   -2.42978100   -1.18632200
   H                 -4.60163300   -2.60721300   -1.24669200
   H                 -3.14635300   -2.33874600   -2.20954700
   H                 -3.06179300   -3.31967500   -0.75207700
   C                  3.43198100   -2.64135600   -0.98815800
   H                  3.03427700   -3.45058400   -0.37092000
   H                  2.96366300   -2.72076600   -1.97351500
   H                  4.50497500   -2.81425100   -1.11680600
   C                  4.26151600   -0.73385800    1.27536900
   H                  4.79813900   -1.66325700    1.48653000
   H                  5.01145000    0.04591200    1.11537200
   C                  3.73338600    0.28597400   -1.55985500
   H                  3.82934000    1.29982300   -1.17146500
   H                  4.72213700   -0.02864600   -1.90763900
   H                  3.06671200    0.30622800   -2.42540100
   H                  3.69338400   -0.47048400    2.17128500
   H                  2.77135700    3.26487500    1.88539400
   Al                 0.00083100    0.77028300    0.10304400