53
_1a_
 Cr                 1.83597100    6.53875700    3.41582200
 C                  1.95727800    2.15384300    3.05624600
 H                  1.39437300    1.25779300    2.73620000
 C                  2.84309700    3.49078700    4.90158200
 C                  1.68581100    6.54755800    5.30535400
 N                  2.56505600    2.93411200    2.24680400
 O                 -0.24903600    4.31490200    3.20285000
 N                  4.52632200    5.35588900    5.55104500
 O                  2.33493900    6.56446300    0.41069800
 O                  1.63296600    6.55086400    6.45912100
 O                 -0.40302200    8.52154700    3.10191700
 O                  3.70363600    8.93607500    3.50052300
 C                  1.27099900    3.20337600    0.19772200
 H                  0.39575100    2.68093800    0.61905900
 H                  1.26804200    3.05848100   -0.89537800
 H                  1.15838300    4.27907700    0.39812400
 C                  0.46012600    7.76043100    3.21739700
 C                  3.03227800    7.99362800    3.48937400
 C                  2.03659700    2.41694000    4.48502900
 C                  3.07348400    3.67987400    6.27583000
 C                  2.44579900    2.86244900    7.22867400
 H                  2.62966600    3.02934100    8.29436600
 C                  2.14639700    6.51709900    1.54961900
 C                  4.02784700    4.70899000    6.56159500
 H                  4.34939600    4.90873500    7.59305100
 C                  1.60462200    1.84309700    6.80776500
 H                  1.10602500    1.20540800    7.54051100
 C                  0.55747500    5.13533500    3.28155900
 C                  2.56670300    2.65913200    0.79317000
 C                  5.61562500    6.35610800    5.75797300
 C                  1.41851600    1.61111800    5.43945000
 H                  0.78943300    0.77863300    5.10774600
 C                  5.04131500    7.59042000    6.44595500
 H                  4.27230500    8.07725600    5.82913400
 H                  5.84554100    8.32244700    6.62512700
 H                  4.59015100    7.33488400    7.41862400
 C                  6.72154600    5.73969900    6.61279200
 H                  6.39793000    5.54163700    7.64680400
 H                  7.57345800    6.43619900    6.66685600
 H                  7.07752900    4.79556100    6.16938300
 C                  6.20403700    6.72006500    4.40224800
 H                  6.65823600    5.83950300    3.91936400
 H                  6.99038300    7.47970300    4.53579200
 H                  5.45127500    7.14580600    3.72327600
 C                  3.77106900    3.39046500    0.21395300
 H                  3.70966600    4.47096100    0.41336600
 H                  3.82348400    3.24749300   -0.87766900
 H                  4.70492600    3.00931300    0.65980900
 C                  2.69254300    1.16887800    0.48594700
 H                  3.57125200    0.73529000    0.99177700
 H                  2.81845700    1.02650100   -0.59940700
 H                  1.79921900    0.59629500    0.78294100
 As                 3.74838900    4.68947000    3.71848600
53
_2a_
 Sb                 3.85439800    4.64799800    3.38901900
 Cr                 1.82417800    6.57031100    3.27997800
 C                  1.94887400    2.14817800    3.01384700
 H                  1.32535100    1.30280400    2.67688400
 C                  2.93656800    3.40482800    4.83992800
 C                  1.76637100    6.51353700    5.17330700
 N                  2.56236500    2.91919800    2.18664300
 O                 -0.19040000    4.28007200    3.20077000
 N                  4.68617200    5.34503900    5.60325800
 O                  2.05896100    6.61095000    0.24480700
 O                  1.72633700    6.47458800    6.32782000
 O                 -0.37984900    8.61697000    3.17183000
 O                  3.90597000    8.79063200    3.34644000
 C                  1.09615200    3.16646300    0.23614900
 H                  0.27615300    2.62756900    0.73863600
 H                  1.00603200    3.00096000   -0.85000700
 H                  0.96368900    4.24196100    0.42787400
 C                  0.46877600    7.83269400    3.21121400
 C                  3.12830900    7.93347900    3.32990600
 C                  2.08876300    2.36288700    4.44197700
 C                  3.17971500    3.61579600    6.20350800
 C                  2.54217500    2.81863600    7.16108200
 H                  2.73136400    2.99328500    8.22528800
 C                  1.97420700    6.57668600    1.39865600
 C                  4.13509600    4.65475400    6.53907800
 H                  4.38202300    4.80667100    7.60355100
 C                  1.67335100    1.80507300    6.76037500
 H                  1.17225300    1.18833400    7.50928900
 C                  0.57500300    5.14608300    3.22232400
 C                  2.45748800    2.67726300    0.72262200
 C                  5.71338800    6.36817900    5.93789200
 C                  1.45475000    1.56866000    5.40408500
 H                  0.78871300    0.75975600    5.08643300
 C                  5.02530000    7.59143100    6.53625900
 H                  4.31419700    8.03873600    5.82583200
 H                  5.77793500    8.35655800    6.78827900
 H                  4.47641900    7.33243700    7.45652600
 C                  6.74093000    5.80598300    6.91771300
 H                  6.31430500    5.60924500    7.91405600
 H                  7.55648900    6.53411200    7.05394700
 H                  7.17782500    4.86997300    6.53262400
 C                  6.42417700    6.74457100    4.64502000
 H                  6.92586200    5.86779800    4.20231400
 H                  7.18905100    7.51267200    4.84252800
 H                  5.72318000    7.16369900    3.90607800
 C                  3.57308300    3.46346700    0.04733700
 H                  3.48124300    4.54369300    0.24183700
 H                  3.52888600    3.32306200   -1.04461400
 H                  4.56187500    3.12230500    0.39702000
 C                  2.63345400    1.19581600    0.39711900
 H                  3.57161700    0.80828800    0.82729400
 H                  2.67688500    1.06228800   -0.69559300
 H                  1.79833800    0.57811600    0.76370900
53
_3a_
 Bi                11.67185500    9.29113800    9.17845400
 Cr                11.31159800    9.58142600   12.00757400
 N                  9.48726400    7.99744400    8.85097600
 C                  9.44323200    9.44622200   11.72233000
 C                  7.96135700   12.48707200    8.06929600
 H                  7.14976600   13.18587200    7.85600100
 C                 10.30835400   12.06463300    8.48893400
 O                  8.30191900    9.37791300   11.54780100
 C                 11.45834000    7.70557500   12.14264300
 C                 13.18779600    9.71132500   12.15437100
 N                 12.62421300   11.64864400    8.87429600
 C                  7.69257400   11.12541700    8.19547000
 H                  6.66963900   10.75316900    8.07546400
 C                  9.26612200   12.95672500    8.20762200
 H                  9.48091300   14.02490100    8.09705200
 O                 11.07424900   12.59219700   11.57267900
 C                  8.51161200    8.79311600    8.59240800
 H                  7.48254200    8.42367500    8.43731400
 O                 10.97282900    9.85150400   14.98520300
 C                  8.43117300    6.03222600    7.75945600
 H                  8.89829500    6.32615300    6.80507100
 H                  8.37245200    4.93235700    7.78818700
 H                  7.39704200    6.41127500    7.77349400
 C                  8.54427800    6.22204700   10.25744800
 H                  8.38886800    5.13468900   10.35158900
 H                  9.13845600    6.55703700   11.12160400
 H                  7.56094400    6.71755500   10.30691900
 C                 11.17338200   11.45175500   11.73805300
 O                 14.33911900    9.78819100   12.25732800
 C                  9.25497700    6.53250100    8.94328400
 C                 11.10430600    9.74681200   13.84124100
 C                 10.62014000    5.85800100    8.91553300
 H                 11.24053900    6.17457400    9.77025500
 H                 10.50972900    4.76377200    8.98244900
 H                 11.15340100    6.08986400    7.97777400
 O                 11.55172300    6.55495700   12.23990300
 C                 11.69244700   12.49536300    8.61647200
 H                 11.90351300   13.56953500    8.47094700
 C                  8.72961800   10.22715200    8.47668800
 C                 10.03696300   10.69971000    8.64090300
 C                 14.22791000   12.83110700   10.30415300
 H                 13.59781200   13.73403600   10.35438300
 H                 13.96714600   12.18684900   11.15775600
 H                 15.28118500   13.13686200   10.41559900
 C                 14.03700100   12.09745600    8.98003800
 C                 14.41581800   13.00098500    7.80946800
 H                 13.88402100   13.96536900    7.83022500
 H                 15.49367200   13.22585100    7.84975900
 H                 14.20428400   12.50572800    6.84748700
 C                 14.90941600   10.84952000    8.94317800
 H                 14.76290800   10.29602700    7.99996000
 H                 15.97438400   11.12291200    9.01512100
 H                 14.68835500   10.18046700    9.79124700
53
_1b_
 Mo                 1.72917900    6.57179200    3.31462100
 O                  1.65675800    6.58889800    6.52996800
 N                  2.60386700    3.10159900    2.28715600
 C                  2.50354200    2.88202000    7.14797700
 H                  2.71248600    3.04162500    8.21086900
 C                  1.93305100    2.26777600    3.02615700
 H                  1.34541300    1.44762400    2.59081400
 C                  3.14427300    3.67947000    6.20214000
 O                  3.97658300    8.85830200    3.24897700
 C                  5.10772600    7.61032600    6.45218900
 H                  4.37231200    8.03469400    5.75177500
 H                  5.88295300    8.37304800    6.63389600
 H                  4.59495600    7.40610600    7.40693900
 C                  2.87642200    3.48562600    4.83421900
 C                  3.18829000    8.01656000    3.29176300
 C                  6.43999000    6.63819800    4.56717500
 H                  6.89537100    5.72166300    4.15660400
 H                  7.23519800    7.38847300    4.70652700
 H                  5.72853200    7.03114500    3.82462200
 C                  1.69377500    6.57216400    5.37849100
 C                  1.72624200    6.67683000    1.27061700
 C                  6.76804200    5.78837700    6.87766000
 H                  6.34808600    5.64275300    7.88583500
 H                  7.60774200    6.49520100    6.97623900
 H                  7.17109300    4.82492800    6.52422500
 C                  3.70059900    3.88133500    0.24193400
 H                  3.47011400    4.93077000    0.47860400
 H                  3.72731500    3.78974400   -0.85534900
 H                  4.70547800    3.64570700    0.62867800
 O                  1.68524300    6.79948100    0.12241100
 O                 -0.43996100    4.20996700    3.19520900
 N                  4.67757800    5.35860500    5.59928200
 C                  2.65960400    2.92515700    0.80661400
 O                 -0.48366500    8.80517600    3.31682900
 C                  0.33568000    7.98774300    3.31168400
 C                  0.31810900    5.07778100    3.25422400
 C                  2.02138100    2.43799800    4.44449600
 C                  1.38110200    1.64170900    5.40704700
 H                  0.71072400    0.83752300    5.08858500
 C                  1.28715600    3.21772900    0.20862700
 H                  0.51503500    2.54739200    0.61986900
 H                  1.31895100    3.06974700   -0.88303100
 H                  0.97614700    4.25536400    0.40104600
 C                  5.74425100    6.34242000    5.88945300
 C                  3.08829800    1.49581800    0.48049400
 H                  4.03923700    1.25124200    0.98115300
 H                  3.23610000    1.39439500   -0.60667500
 H                  2.33405600    0.75060300    0.77898800
 C                  1.61066600    1.87683700    6.75486300
 H                  1.11243200    1.26621400    7.51054200
 C                  4.14077600    4.68100000    6.54281900
 H                  4.41165100    4.79467900    7.60873100
 As                 3.67207200    4.50259600    3.43170500
53
_2b_
 Sb                 3.96184600    4.68059900    3.40396100
 Mo                 1.80150500    6.70766700    3.29708300
 O                  1.73299100    6.56122500    6.50369600
 N                  2.65773700    2.99845500    2.17776100
 C                  2.53306200    2.88540800    7.14584100
 H                  2.69916300    3.05907400    8.21413200
 C                  2.01278100    2.23095600    2.98659500
 H                  1.37416800    1.40526600    2.62905800
 C                  3.20545800    3.67145400    6.20324800
 O                  3.97675500    9.06092500    3.39054200
 C                  5.04873300    7.63094900    6.58880700
 H                  4.34524500    8.08647200    5.87503200
 H                  5.79597500    8.39441600    6.86094400
 H                  4.48781700    7.35871800    7.49775000
 C                  2.99011700    3.46211700    4.83324800
 C                  3.20029900    8.20575700    3.35831000
 C                  6.45838900    6.81836700    4.69453300
 H                  6.97726200    5.95471000    4.24596600
 H                  7.20878600    7.59780100    4.90278100
 H                  5.75341900    7.23112200    3.95499300
 C                  1.75044600    6.62692000    5.35119400
 C                  1.90632700    6.73872900    1.24976600
 C                  6.77407400    5.85002500    6.95551300
 H                  6.34254200    5.63342500    7.94565100
 H                  7.58376300    6.58169600    7.10773100
 H                  7.21919900    4.92326100    6.55779600
 C                  3.65105500    3.62550600    0.05059800
 H                  3.50107300    4.69690100    0.25920300
 H                  3.61935400    3.49741300   -1.04325600
 H                  4.65552700    3.33310400    0.39977400
 O                  1.94899100    6.76908600    0.09542500
 O                 -0.26028800    4.24924600    3.19858100
 N                  4.72975600    5.39090200    5.62942000
 C                  2.57635700    2.77202200    0.70994900
 O                 -0.52315200    8.83484000    3.23011600
 C                  0.33274800    8.05716100    3.25087800
 C                  0.46826200    5.14437100    3.22986200
 C                  2.13296000    2.43314700    4.41665900
 C                  1.46399900    1.65170500    5.36544800
 H                  0.78947100    0.85545100    5.03383600
 C                  1.19640600    3.19098100    0.21125800
 H                  0.39958700    2.59165000    0.68128300
 H                  1.13372000    3.04804200   -0.88003800
 H                  0.99913800    4.25296400    0.42593100
 C                  5.74638000    6.41844900    5.97954000
 C                  2.84075200    1.30546600    0.37729300
 H                  3.80245700    0.97609400    0.80369700
 H                  2.88789500    1.17642800   -0.71601000
 H                  2.04719900    0.63802100    0.74902800
 C                  1.65745300    1.88498200    6.72620700
 H                  1.12953900    1.27746800    7.46414800
 C                  4.15763200    4.70516200    6.55764400
 H                  4.37776400    4.86545500    7.62685800
53
_3b_
 Bi                 2.70520400    0.27198600   -1.51256700
 Mo                 3.82489400    1.29915600   -4.14027700
 O                  0.79061700    1.69094700   -5.11470600
 N                  0.53613800    1.59018600   -1.77897800
 N                  3.64006700   -2.07594300   -1.88444600
 O                  3.67712700   -1.72221800   -5.21683300
 O                  3.82874000    4.24537700   -2.87715200
 C                 -0.35205800    0.90609300   -2.41039100
 H                 -1.35292900    1.31529100   -2.63537600
 C                  3.74337300   -0.63055600   -4.84535400
 C                  1.19042700   -0.98137900   -2.54110800
 C                 -1.00256200   -1.22759500   -3.54650500
 H                 -1.98294600   -0.80619400   -3.79303000
 C                 -0.68479400   -2.53019100   -3.92723600
 H                 -1.41244700   -3.13078600   -4.47703400
 C                  2.80090100   -2.81626300   -2.51933300
 H                  3.03171000   -3.86259700   -2.78715900
 C                  1.49781700   -2.29985000   -2.90301500
 C                  1.88861500    1.56343500   -4.77961900
 C                  0.16759700    3.90767500   -2.51240700
 H                  1.12920300    3.92940300   -3.04895500
 H                 -0.05424400    4.93303700   -2.17356500
 H                 -0.61641700    3.60363600   -3.22475900
 C                  0.22772200    2.96687300   -1.31268700
 C                 -0.06972000   -0.45082400   -2.84810800
 C                  4.95768300   -2.62550200   -1.47284400
 C                  3.83405600    3.18156300   -3.33042700
 C                  0.55871000   -3.06879500   -3.60142600
 H                  0.80628100   -4.09557500   -3.89114200
 C                  1.35385300    3.39140200   -0.37967900
 H                  1.41741400    2.71808600    0.49216000
 H                  1.18060000    4.41387400   -0.00745900
 H                  2.32525200    3.39544800   -0.90218000
 C                 -1.09069100    2.99388600   -0.54352600
 H                 -1.95822700    2.78078900   -1.18809500
 H                 -1.24702200    3.99392000   -0.10794600
 H                 -1.07832400    2.25910900    0.27820000
 C                  5.70366500    0.96646600   -3.39295900
 C                  4.58439200    1.99060700   -5.84986700
 O                  5.02336600    2.39023000   -6.84248400
 O                  6.76307900    0.76810600   -2.97397400
 C                  5.58708800   -1.62101900   -0.51704400
 H                  4.95761500   -1.48239200    0.37849200
 H                  5.73489900   -0.64372100   -1.00651600
 H                  6.57745500   -1.97248700   -0.18588300
 C                  4.78549400   -3.95876700   -0.74942600
 H                  4.08259200   -3.85752900    0.09376600
 H                  5.75630900   -4.29282700   -0.34927000
 H                  4.41750400   -4.75486300   -1.41597700
 C                  5.84339100   -2.79460400   -2.70367500
 H                  6.82288500   -3.20465900   -2.40727000
 H                  6.01846400   -1.82872800   -3.20274700
 H                  5.38944700   -3.48207300   -3.43579400
53
_1c_
 W                 10.03071400    8.38190300    1.19493600
 C                  8.14077400    8.66928600    0.44853800
 C                 10.07204900   10.31480600    1.85966900
 N                  7.05248500    8.58952200    3.41530200
 O                  7.05978300    8.84117200    0.07794400
 C                  7.58146100    6.16224000    2.66621900
 C                  6.06257100    7.98305800    2.83317500
 H                  5.07683400    8.45549600    2.71795800
 C                 11.88445000    8.15511300    2.04059900
 O                 10.13509100   11.42306500    2.18673200
 C                  7.89558200    4.82343800    2.37333800
 O                 10.11269400    5.38163100    0.04632300
 C                  5.35270300    5.82710700    1.73014200
 H                  4.35769100    6.22003600    1.49990800
 C                  6.86420200    9.94068800    4.01985700
 N                  9.98271000    5.15620200    3.40733200
 C                 10.07736400    6.45583700    0.46640700
 C                  6.65583100   10.96755800    2.91122800
 H                  7.52898500   11.02453300    2.24429000
 H                  6.50197200   11.96489000    3.35428400
 H                  5.77150300   10.72809600    2.29852900
 C                  6.95329500    4.01959900    1.73408800
 H                  7.20627700    2.97962100    1.50345500
 C                  9.19041200    4.33912900    2.82224200
 H                  9.42391500    3.27082500    2.66039800
 C                 11.28332600    4.69226500    3.94153700
 C                  5.69095300    4.52287800    1.39744100
 H                  4.96721500    3.88137200    0.89068400
 C                  6.29367600    6.64512100    2.37381000
 C                  8.10248300   10.28249900    4.83625600
 H                  8.23686700    9.57144000    5.66767600
 H                  7.99387200   11.29137400    5.26460300
 H                  9.01514300   10.28340600    4.22208400
 C                  5.65792100    9.91659300    4.95654500
 H                  4.70842700    9.76613000    4.41887200
 H                  5.58410600   10.87994100    5.48620700
 H                  5.76480600    9.11823700    5.70884800
 O                 11.35234400    9.38342700   -1.47801200
 C                 10.87191400    9.01800900   -0.48867900
 O                 12.94237400    8.06528300    2.49737000
 C                 11.14444100    3.36496100    4.68350800
 H                 10.89154900    2.52899000    4.01180700
 H                 10.36973100    3.43245900    5.46507700
 H                 12.10019800    3.11112400    5.16978000
 C                 11.76376100    5.75895200    4.91660700
 H                 11.04887500    5.87260300    5.74846400
 H                 11.86947100    6.73384000    4.41652000
 H                 12.74492500    5.48534500    5.33738100
 C                 12.26817300    4.54389500    2.78516600
 H                 13.25578300    4.23808700    3.16833300
 H                 12.39474100    5.49266200    2.24224800
 H                 11.92534000    3.78004300    2.06735600
 As                 8.77841800    7.37528600    3.52816000
53
_2c_
 W                 10.18155900    8.41635000    1.22864900
 Sb                 9.03795000    7.33921500    3.74233200
 C                  8.25292400    8.67840900    0.57560800
 C                 10.19187500   10.29980600    2.03226500
 N                  6.96950900    8.65500800    3.54029300
 O                  7.15682000    8.81257700    0.23269700
 C                  7.60030300    6.12624900    2.76911100
 C                  6.05341700    7.98745500    2.92977700
 H                  5.04792200    8.40305900    2.74598400
 C                 12.07120800    8.13236900    1.96497900
 O                 10.20074100   11.36776200    2.47793400
 C                  7.91459700    4.80719000    2.41440200
 O                 10.11189700    5.40440300    0.12356400
 C                  5.39442900    5.84611600    1.79828100
 H                  4.40532800    6.25390400    1.56532800
 C                  6.68240500   10.02314400    4.04902600
 N                 10.03702600    5.11226700    3.42238500
 C                 10.14600600    6.49537800    0.50520700
 C                  6.59241600   10.99020100    2.87227300
 H                  7.53956100   11.02684000    2.31228000
 H                  6.37761600   12.00696900    3.24010000
 H                  5.79127200   10.70061200    2.17290900
 C                  6.97613300    4.02169500    1.73564000
 H                  7.23084300    2.99486700    1.45343200
 C                  9.22528200    4.32567900    2.80615400
 H                  9.48506100    3.27901800    2.57276300
 C                 11.36404700    4.61181800    3.87118400
 C                  5.72277200    4.54477300    1.42148000
 H                  4.99459400    3.93186700    0.88627400
 C                  6.32823300    6.63729000    2.47703300
 C                  7.82944100   10.42378000    4.96638200
 H                  7.90651200    9.73563900    5.82483100
 H                  7.66520100   11.44067500    5.35742900
 H                  8.79149800   10.43130800    4.42927800
 C                  5.38248100   10.03629800    4.84993800
 H                  4.49727100    9.84732900    4.22209300
 H                  5.24487800   11.02544800    5.31545900
 H                  5.41009400    9.28039200    5.65182300
 O                 11.36060700    9.52488900   -1.47574700
 C                 10.93112600    9.12078100   -0.47893000
 O                 13.14226600    7.97472100    2.37383600
 C                 11.21532100    3.28850300    4.61840300
 H                 10.88862100    2.46673300    3.96156700
 H                 10.49113300    3.38523900    5.44387600
 H                 12.18685800    2.99449300    5.04701600
 C                 11.94983800    5.64908400    4.81911400
 H                 11.30622100    5.78222500    5.70478100
 H                 12.07465700    6.62403900    4.32117200
 H                 12.94548300    5.32817000    5.16511200
 C                 12.27412700    4.43869700    2.65884500
 H                 13.25611400    4.05501000    2.98093400
 H                 12.43907400    5.39726200    2.14331000
 H                 11.84708100    3.72784700    1.93273900
53
_3c_
 Bi                11.25339000    2.86378200   14.74351700
 W                 11.58007800    2.95317900   11.72202200
 N                 10.14421600    5.16606600   14.81664600
 C                 11.58750800    0.90633900   11.72650000
 C                 11.58439300    5.00085600   11.86346500
 O                 11.59238800    6.15173300   11.98013400
 O                  8.38290400    2.95837100   11.49698900
 N                 13.53677700    1.77091900   15.07351400
 O                 14.74789700    2.99016500   12.23104500
 C                 15.12164000    5.06594100   15.32636200
 H                 16.17396600    4.78114800   15.43093100
 C                 13.60998000    2.97227700   12.02322000
 C                  9.53848200    2.94949500   11.57173300
 C                 12.79818500    4.43219200   15.04811500
 C                 14.46268600    2.65333600   15.20730300
 H                 15.52262100    2.37260900   15.33990800
 C                  8.69990400    5.50158700   14.71804000
 C                 14.14367600    4.07203300   15.19523900
 C                 11.01803700    6.10052600   14.94663100
 H                 10.73210900    7.16692800   14.97842500
 C                  8.28707900    6.44750200   15.84278100
 H                  8.55903600    6.02825300   16.82542300
 H                  7.19535500    6.59546100   15.82265800
 H                  8.75163000    7.44180100   15.74768300
 C                 11.77216600    2.99229000    9.73971300
 C                 12.43243200    5.78419100   15.06572500
 C                 14.75759000    6.41123800   15.32177800
 H                 15.52328300    7.18383500   15.41824200
 C                 13.41690500    6.77142500   15.19795000
 H                 13.12860600    7.82797000   15.20153700
 C                  7.92344500    4.19894100   14.85495400
 H                  8.12158100    3.72288900   15.83047100
 H                  8.18564700    3.49230600   14.04968200
 H                  6.84026000    4.38705500   14.78227000
 C                  8.41786400    6.13138200   13.35720600
 H                  7.34687600    6.37935900   13.27424600
 H                  8.66880200    5.43835100   12.53887800
 H                  8.99809800    7.05716100   13.21291500
 O                 11.88631800    3.01757900    8.58744300
 O                 11.60530400   -0.25152600   11.73960000
 C                 14.71138500   -0.00270500   16.34316100
 H                 15.71055100    0.45957600   16.30493000
 H                 14.85922900   -1.09222900   16.41560300
 H                 14.20521900    0.33733300   17.26158200
 C                 14.61887900   -0.05847000   13.83636800
 H                 14.00750200    0.13930800   12.94192300
 H                 14.85897900   -1.13432100   13.85162500
 H                 15.56198400    0.50315900   13.73740800
 C                 13.87159900    0.32330700   15.11075800
 C                 12.55816300   -0.44345600   15.18986300
 H                 11.99818400   -0.17077700   16.10078200
 H                 12.74781300   -1.52839300   15.22069500
 H                 11.92636800   -0.24932900   14.30682900
51
_1d_
 As                10.84286000   12.73045500    5.25577800
 Fe                 9.75269100   11.10518500    3.66471500
 N                  9.94984000   11.76792900    7.21422600
 C                 11.38348800   10.34949000    3.66126500
 C                 10.17547300   15.28680800    3.94405600
 H                 10.14414400   16.21400400    3.35180300
 C                  9.17325100   15.04535000    4.95804600
 C                  8.93526600   12.45006500    7.60083100
 H                  8.36131200   12.21611000    8.51266600
 C                  9.37565000   13.87708500    5.70544900
 C                  8.55247400   13.60292600    6.80597800
 O                 12.44440700    9.88342400    3.67876500
 N                 11.09868700   14.40055400    3.79930800
 C                  8.10596100   15.89770200    5.26454200
 H                  7.94822100   16.80602900    4.67463200
 O                  7.68427900   10.34990300    5.63448000
 C                 12.25285800   14.61354700    2.89032700
 C                  7.48824000   14.45704600    7.10504400
 H                  6.84253300   14.23787200    7.96141300
 C                  9.15468200    9.89207100    2.52126700
 C                  9.28293400   12.45085200    2.57572200
 C                 10.49208500   10.65008000    8.01769000
 C                 11.84432100   15.35860300    1.62393200
 H                 11.56228500   16.40584100    1.81900200
 H                 12.69611000   15.38194800    0.92602200
 H                 11.00189500   14.85141000    1.12703500
 O                  8.94901500   13.29437500    1.85298800
 C                  7.25673100   15.59166900    6.32523000
 H                  6.41987300   16.25228000    6.56104500
 O                  8.77064400    9.10046300    1.77593200
 C                 12.82793600   13.25525600    2.51441500
 H                 12.09828000   12.64947300    1.95447200
 H                 13.72306300   13.39387200    1.88735000
 H                 13.13194200   12.68489000    3.40774800
 C                  8.51373300   10.66318200    4.88777400
 C                 13.29314100   15.41286900    3.67269100
 H                 13.58239500   14.88079200    4.59367700
 H                 14.19698800   15.56045000    3.05884700
 H                 12.90049700   16.40419700    3.95438500
 C                 11.22325900    9.70416600    7.07465700
 H                 12.01301700   10.23168700    6.51458400
 H                 11.70077800    8.89567800    7.65124400
 H                 10.53345600    9.25237900    6.34428300
 C                  9.39986000    9.88696700    8.75945600
 H                  8.61270700    9.55759800    8.06186400
 H                  9.83659300    8.99491500    9.23579600
 H                  8.93530400   10.48303400    9.56165400
 C                 11.48622100   11.26000600    9.00435800
 H                 10.97838100   11.94865100    9.70035800
 H                 11.97164100   10.46541000    9.59489200
 H                 12.26868900   11.82359800    8.47027100
51
_2d_
 Sb                 6.28282000    1.05256100   18.07452400
 Fe                 6.90626500    3.09379500   16.49164900
 C                  4.20459500    1.42688700   18.32168500
 C                  6.76733400    4.10824500   21.77474000
 H                  6.57205000    4.90485600   21.03889500
 H                  7.63869400    4.40191400   22.38104800
 H                  5.90892100    4.03970400   22.46241000
 O                  9.57910900    1.84047200   16.63403500
 N                  6.00372800    2.40708700   20.10985300
 C                  5.66011100    2.57297400   15.31698400
 O                  4.85271100    2.28877500   14.53250500
 C                  2.39122800    2.49452300   19.52245800
 H                  2.04360500    3.12328800   20.34874600
 C                  7.49274100    4.39191000   15.43827500
 N                  5.08308800   -0.22039100   16.34378100
 O                  7.87771000    5.23557600   14.75240600
 C                  1.91679600    1.14055100   17.57752600
 H                  1.19659200    0.70626000   16.87637200
 C                  3.81695000   -0.01815300   16.40697300
 H                  3.10636900   -0.50255800   15.71717400
 C                  1.47696800    1.96112800   18.61515000
 H                  0.41230500    2.17847500   18.72358200
 C                  8.53646300    2.34552200   16.57051300
 C                  4.77056400    2.70212700   20.31062900
 H                  4.44041400    3.29899900   21.17693800
 O                  5.89090100    5.02940600   18.47242500
 C                  6.29368800    4.24188900   17.72003200
 C                  4.86456600   -1.30460700   14.10112100
 H                  3.88512200   -1.78343000   14.26219400
 H                  5.41323400   -1.93374700   13.38272800
 H                  4.70670600   -0.31467400   13.64364800
 C                  3.75728300    2.22356300   19.38121300
 C                  5.67691800   -1.18209400   15.38514000
 C                  3.28164000    0.86612900   17.43220800
 C                  7.06472300    2.78744600   21.07318600
 C                  7.08305300   -0.70115700   15.04872000
 H                  7.06448600    0.27915400   14.54705700
 H                  7.57689800   -1.42622600   14.38210700
 H                  7.70536900   -0.60741700   15.95533800
 C                  7.16638800    1.65172000   22.08934400
 H                  6.22811300    1.54899300   22.65987800
 H                  7.98472500    1.85091500   22.80088700
 H                  7.37094600    0.69218700   21.58642600
 C                  5.74962400   -2.52920300   16.10148600
 H                  6.33143700   -2.44756100   17.03429000
 H                  6.23662900   -3.27722600   15.45424200
 H                  4.74027900   -2.89424300   16.35510000
 C                  8.37456000    2.90790000   20.30407900
 H                  8.62982100    1.96204600   19.79556200
 H                  9.19700700    3.14090000   20.99919900
 H                  8.32436200    3.70234700   19.54274800
51
_3d_
 Bi                 0.21972900    7.28088000    2.91295200
 Fe                 0.39652000    9.81540800    3.92373700
 O                 -2.14418200    8.96854500    5.17410900
 O                  0.29588500   12.46582300    5.15474200
 C                  1.70815000    4.29684700    5.53110900
 H                  1.55553400    3.83502800    6.52057300
 H                  2.52685900    3.76238600    5.02091700
 H                  0.78718300    4.15946800    4.94033200
 C                  0.33732800   11.42045100    4.66829100
 C                  2.11060600    7.29833700    1.72569000
 N                  2.14088900    6.33970100    4.31892100
 C                  3.31007100    6.88902600    2.31597300
 C                  3.25571300    6.39124900    3.68713700
 H                  4.20438900    6.06182100    4.14442300
 C                 -2.16469300    7.00693300   -0.57810000
 H                 -3.18618400    7.15659500   -0.96512000
 H                 -2.20775000    6.25672000    0.22896500
 H                 -1.54086600    6.60102100   -1.39192600
 C                  3.29379500    7.79880900   -0.32705200
 H                  3.28405000    8.15023300   -1.36429300
 N                 -0.26626400    8.02477700    0.51236900
 C                  2.09720100    7.73793200    0.39863100
 C                  2.04001000    5.77939700    5.68597000
 C                  0.89299100    6.49271500    6.39247600
 H                  1.09153900    7.57117500    6.49698200
 H                  0.74356900    6.06569700    7.39715000
 H                 -0.05609300    6.37176600    5.84005600
 C                 -1.59583400    8.32793600   -0.06451200
 C                  4.50331500    6.95215700    1.58479400
 H                  5.44387300    6.63835500    2.04991400
 C                  1.99491600    9.42167700    4.62521200
 C                 -1.14738400    9.31841300    4.69063100
 O                  3.04283700    9.22469500    5.08666500
 O                  0.57574100   10.94144500    1.20279300
 C                  0.80892000    8.10414700   -0.18199500
 H                  0.80511900    8.44236000   -1.23225100
 C                  4.49265400    7.41190600    0.26920900
 H                  5.42487400    7.46472000   -0.29716500
 C                 -2.47463800    8.86444300    1.05969200
 H                 -2.07720000    9.80691600    1.46854700
 H                 -2.55329000    8.13875500    1.88894800
 H                 -3.49529400    9.04742700    0.68704800
 C                  0.49192000   10.46659500    2.25995100
 C                 -1.53179000    9.35524700   -1.18920400
 H                 -1.01012500   10.26657400   -0.85451300
 H                 -2.55483100    9.63167800   -1.48921600
 H                 -1.02915200    8.96628300   -2.08957400
 C                  3.31995700    5.95904100    6.49451100
 H                  3.62636600    7.01746200    6.50765800
 H                  4.15376400    5.35063900    6.10828200
 H                  3.14359700    5.63618800    7.53264900