50
Hox
 Fe                 2.90657900    0.80482500   -0.31042000
 Fe                 4.95828000   -0.56494500    0.26115400
 Fe                -1.25225300    0.22691900   -0.63804400
 Fe                -3.98794400   -0.00909000   -0.93140600
 Fe                -2.76251200   -1.49056000    0.92483800
 Fe                -2.87544000    1.23687700    1.24528900
 S                  2.82146100   -1.19877600    0.90869700
 S                  4.16144900   -0.43163500   -1.90027100
 S                  0.94683100    0.42116900   -1.48131100
 S                 -2.35467900   -1.63629800   -1.38902800
 S                 -2.77987600    1.95026000   -0.98648500
 S                 -1.06338000   -0.16802400    1.66956000
 S                 -4.65707900   -0.17638400    1.31056900
 S                 -5.91572600   -0.19125400   -2.15155100
 S                 -3.12266500   -3.50137200    1.95501600
 S                 -3.00450600    3.03988900    2.62593100
 O                  1.53979600    2.43895800    1.67884200
 O                  5.00226300    2.09668000    1.43200300
 O                  7.61362300    0.19088800   -0.69703700
 N                  3.63763900    3.37705800   -1.86291900
 N                  6.14741700   -1.54473500    2.94220300
 N                  3.06823100   -2.99328900   -1.28217800
 C                  2.06498400    1.75959700    0.90880600
 C                  3.34431100    2.40161300   -1.28702900
 C                  4.57594800    1.20968700    0.79121800
 C                  5.67551800   -1.13562100    1.95273900
 C                  6.55981100   -0.10881500   -0.32111000
 C                  2.21391700   -2.58990800   -0.19714300
 C                  3.23183000   -2.01368600   -2.31875700
 C                  1.01249800    1.44795200   -3.00248200
 C                 -5.25191700   -0.05316600   -3.86710400
 C                 -1.50692600   -4.36071400    1.69913600
 C                 -1.68368900    4.13512100    1.94135100
 H                  1.25162000   -2.27407600   -0.60030900
 H                  2.06887100   -3.43049700    0.48042500
 H                  3.97102100   -3.30334500   -0.93105900
 H                  2.24503200   -1.69997800   -2.66210600
 H                  3.79501800   -2.44700500   -3.14547600
 H                  1.94274800    1.21516700   -3.51753200
 H                  0.15678300    1.19930400   -3.63129700
 H                  0.99845500    2.50369800   -2.74233000
 H                 -4.54303200   -0.85631100   -4.06980600
 H                 -6.08592800   -0.13216400   -4.56717200
 H                 -4.75641800    0.90708000   -4.01434000
 H                 -1.59015000   -5.37052900    2.10446800
 H                 -1.27070600   -4.42069100    0.63629500
 H                 -0.70596100   -3.83261300    2.21609900
 H                 -1.92023400    4.41072100    0.91398700
 H                 -1.63854800    5.03514200    2.55731300
 H                 -0.71850300    3.63243900    1.97012700
51
HoxH
 Fe                 2.89615200    0.74238800   -0.30845600
 Fe                 5.02396300   -0.51457300    0.25193000
 Fe                -1.21246300    0.14578500   -0.63233900
 Fe                -3.91358700    0.00959300   -0.90231100
 Fe                -2.80993700   -1.41959600    1.01896700
 Fe                -2.86699000    1.31482900    1.21480700
 S                  2.92979300   -1.24300300    0.94752300
 S                  4.18433000   -0.45555500   -1.89767700
 S                  0.95797200    0.26614500   -1.47524000
 S                 -2.41976500   -1.72055200   -1.29039900
 S                 -2.70359500    1.89812300   -1.05572200
 S                 -1.09255600   -0.11416600    1.69498900
 S                 -4.69584800   -0.06645200    1.29378300
 S                 -5.96544100   -0.23000100   -2.20556400
 S                 -3.19099600   -3.35796000    2.13817600
 S                 -3.00057900    3.20611100    2.43096400
 O                  1.54331300    2.33487800    1.72661000
 O                  4.97506100    2.17788800    1.34396200
 O                  7.62699600    0.33061500   -0.77637300
 N                  3.44554500    3.33692200   -1.89673100
 N                  6.30767300   -1.32930400    2.94344200
 N                  3.23741900   -3.06050000   -1.21909500
 C                  2.05816800    1.67287700    0.93502700
 C                  3.22864200    2.34960200   -1.30816200
 C                  4.58256100    1.25002500    0.74295000
 C                  5.79730400   -0.98872100    1.94763800
 C                  6.59640700   -0.00479000   -0.37257900
 C                  2.38296500   -2.68594500   -0.12535100
 C                  3.33396500   -2.09208700   -2.27360800
 C                  1.03498800    1.20102100   -3.06063000
 C                 -5.22947400   -0.32274900   -3.88437000
 C                 -1.57186600   -4.23992300    2.01819400
 C                 -1.69612800    4.25217900    1.64716100
 H                  1.39742000   -2.43185500   -0.51561800
 H                  2.29765700   -3.52175200    0.56831000
 H                  4.15947400   -3.32501600   -0.88178600
 H                  2.32714800   -1.83814500   -2.60816300
 H                  3.90739100   -2.50922700   -3.10123700
 H                  1.99078900    0.95937200   -3.52193300
 H                  0.20931200    0.88411200   -3.69821900
 H                  0.98589800    2.26876200   -2.86429200
 H                 -4.38666100   -1.00947400   -3.88601100
 H                 -5.99229600   -0.63178400   -4.59592600
 H                 -4.89113200    0.68485500   -4.11697500
 H                 -1.68633000   -5.21342200    2.49643500
 H                 -1.29097200   -4.38292700    0.97491900
 H                 -0.79434900   -3.67522800    2.53125700
 H                 -1.91527700    4.39609900    0.59003900
 H                 -1.69499300    5.21811000    2.15427300
 H                 -0.71885700    3.78698700    1.76029600
 H                 -6.20541400   -1.54740500   -2.03076800
51
Hred'
 Fe                 2.93334800    0.77606300   -0.28487200
 Fe                 5.02041700   -0.55770100    0.24713400
 Fe                -1.28246500    0.22923600   -0.63282400
 Fe                -3.96110600   -0.08134800   -0.84416700
 Fe                -2.75966600   -1.43628600    1.04371700
 Fe                -2.92845600    1.32307600    1.17770500
 S                  2.91256300   -1.22170000    0.95452000
 S                  4.16716300   -0.45427700   -1.89324900
 S                  0.95841200    0.37613000   -1.44592600
 S                 -2.31841300   -1.72197100   -1.28497500
 S                 -2.84343300    1.91326000   -1.11529700
 S                 -1.08298400   -0.01961600    1.70357500
 S                 -4.71011500   -0.09293500    1.38002400
 S                 -5.79091500   -0.50144900   -2.26807000
 S                 -3.18896100   -3.43447000    2.11734800
 S                 -3.07118800    3.25913500    2.41084400
 O                  1.60328600    2.42585500    1.71885100
 O                  5.03793800    2.11076900    1.40576900
 O                  7.63373900    0.24473900   -0.78388700
 N                  3.58388400    3.35376000   -1.86432000
 N                  6.31833400   -1.49037400    2.89513200
 N                  3.11957000   -3.02457600   -1.23076100
 C                  2.10381100    1.73490200    0.94321800
 C                  3.32277200    2.37418400   -1.27962600
 C                  4.60965900    1.21537900    0.77707300
 C                  5.80034200   -1.10158100    1.92043900
 C                  6.59551900   -0.07312300   -0.37831700
 C                  2.28787000   -2.62320200   -0.12611000
 C                  3.24556700   -2.04992300   -2.27739300
 C                  1.10249300    1.26648500   -3.05190000
 C                 -5.14636800   -0.26765000   -3.96956900
 C                 -1.54303600   -4.25395700    1.92001100
 C                 -1.69422500    4.24200300    1.66581400
 H                  1.31301700   -2.31709000   -0.50532700
 H                  2.16752900   -3.46273900    0.55786600
 H                  4.03515400   -3.31839300   -0.89904500
 H                  2.24653300   -1.74899500   -2.59620300
 H                  3.79261600   -2.48250000   -3.11548600
 H                  2.04288900    0.96427800   -3.51111400
 H                  0.25912400    0.98395800   -3.68318000
 H                  1.11059500    2.34072200   -2.88449200
 H                 -4.41662100   -1.06128600   -4.11595600
 H                 -5.95429200   -0.36270700   -4.69399300
 H                 -4.65418100    0.69857300   -4.05129000
 H                 -1.58087700   -5.23602500    2.39649700
 H                 -1.30340700   -4.38218100    0.86362300
 H                 -0.76055100   -3.66036200    2.39360800
 H                 -1.89149100    4.42310500    0.60935100
 H                 -1.62522500    5.19698500    2.19069800
 H                 -0.74916000    3.71097700    1.76826100
 H                 -6.57825000    0.59729100   -2.22660300
52
Hred'H
 Fe                 2.93326800    0.82896900   -0.24728000
 Fe                 4.99708500   -0.56560500    0.20473500
 Fe                -1.27176600    0.27746300   -0.67474900
 Fe                -3.96252800    0.08038000   -0.86425800
 Fe                -2.67660800   -1.48139100    0.89502400
 Fe                -2.90026600    1.17882100    1.33047400
 S                  2.87175700   -1.24946300    0.84537000
 S                  4.16578100   -0.29334900   -1.93087300
 S                  0.94789300    0.51213200   -1.40375100
 S                 -2.43265700   -1.61079300   -1.44292100
 S                 -2.80626800    2.04295600   -0.85670200
 S                 -1.00895800   -0.16683800    1.63425200
 S                 -4.66010100   -0.28768200    1.36640800
 S                 -5.83799900    0.20814500   -2.31077900
 S                 -3.04046000   -3.69697700    1.86786200
 S                 -3.02244900    2.91612300    2.78043000
 O                  1.62319700    2.28860800    1.91223700
 O                  5.06691900    2.04240700    1.49267300
 O                  7.64146400    0.23867200   -0.74467400
 N                  3.55729900    3.51437300   -1.64271200
 N                  6.21264500   -1.68213000    2.82000800
 N                  3.07618300   -2.89039200   -1.46874000
 C                  2.12158000    1.68251500    1.06766600
 C                  3.31225200    2.49254100   -1.12858600
 C                  4.62417400    1.18475300    0.82446100
 C                  5.73331200   -1.22138500    1.85733000
 C                  6.59276600   -0.07938000   -0.37211400
 C                  2.23872200   -2.55333800   -0.34830400
 C                  3.23654800   -1.84623100   -2.44241900
 C                  1.07347400    1.47863000   -2.96163800
 C                 -5.13861000   -0.14671500   -3.96763100
 C                 -1.39655500   -4.47050500    1.58798900
 C                 -1.77135800    4.01330900    1.97945700
 H                  1.27731700   -2.19535900   -0.71773900
 H                  2.09119100   -3.43942200    0.26907500
 H                  3.98174400   -3.22611000   -1.14968500
 H                  2.24873700   -1.51528400   -2.76615800
 H                  3.79801400   -2.22878200   -3.29474800
 H                  2.02207500    1.22123700   -3.43010600
 H                  0.24032400    1.21124200   -3.61267700
 H                  1.05802700    2.54316400   -2.74083500
 H                 -4.49617700   -1.02241900   -3.91917100
 H                 -5.94075700   -0.27832300   -4.69223700
 H                 -4.54572100    0.72809900   -4.22770400
 H                 -1.45098300   -5.53151600    1.82324400
 H                 -1.07793200   -4.30865700    0.56117900
 H                 -0.71347600   -3.97103100    2.27159400
 H                 -2.11607000    4.31298700    0.99084800
 H                 -1.64315000    4.89805100    2.60599700
 H                 -0.81549200    3.50014500    1.89272000
 H                 -6.45608900   -0.97661900   -2.11307600
 H                 -3.71837600   -4.34963800    0.89906800