58
A
 C                 -5.78952200    1.58946700    1.80191900
 C                 -5.14184900    0.78022500    0.88421200
 C                 -5.94916000    0.00079200   -0.00017700
 C                 -7.34530200    0.00094600   -0.00030800
 C                 -7.98599300    0.84693000    0.95840100
 C                 -7.21794300    1.60867200    1.82222100
 H                 -5.24672600    2.21020200    2.50699500
 C                 -5.14185100   -0.77885500   -0.88437600
 C                 -7.98599400   -0.84490600   -0.95913100
 H                 -9.07095200    0.88864600    1.00484100
 H                 -7.71280000    2.24907100    2.54740800
 C                 -7.21794300   -1.60682500   -1.82279300
 C                 -5.78952500   -1.58795800   -1.80220000
 H                 -9.07095300   -0.88636900   -1.00579100
 H                 -7.71279900   -2.24711400   -2.54807700
 H                 -5.24672600   -2.20882000   -2.50716200
 C                 -3.75582000   -0.46119700   -0.52419100
 C                 -3.75582000    0.46222800    0.52432700
 N                 -2.52109200   -0.87537800   -0.99467100
 N                 -2.52109500    0.87603500    0.99513600
 Al                -1.24717200    0.00011700    0.00042700
 C                 -2.44399300    1.83677200    2.08650700
 H                 -2.92118500    2.78872900    1.81853300
 H                 -2.93003000    1.45430800    2.99376500
 H                 -1.39614300    2.03962600    2.32490900
 C                 -2.44398100   -1.83627400   -2.08590100
 H                 -2.92976700   -1.45382100   -2.99329600
 H                 -1.39612700   -2.03937400   -2.32407600
 H                 -2.92142300   -2.78809700   -1.81790500
 Al                 1.24717200   -0.00011700    0.00042700
 N                  2.52109200    0.87537800   -0.99467100
 N                  2.52109500   -0.87603500    0.99513600
 C                  3.75582000    0.46119700   -0.52419100
 C                  2.44398100    1.83627400   -2.08590100
 C                  3.75582000   -0.46222800    0.52432700
 C                  2.44399300   -1.83677200    2.08650700
 C                  5.14185100    0.77885500   -0.88437600
 H                  2.92976700    1.45382100   -2.99329600
 H                  1.39612700    2.03937400   -2.32407600
 H                  2.92142300    2.78809700   -1.81790500
 C                  5.14184900   -0.78022500    0.88421200
 H                  2.92118500   -2.78872900    1.81853300
 H                  2.93003000   -1.45430800    2.99376500
 H                  1.39614300   -2.03962600    2.32490900
 C                  5.94916000   -0.00079200   -0.00017700
 C                  5.78952500    1.58795800   -1.80220000
 C                  5.78952200   -1.58946700    1.80191900
 C                  7.34530200   -0.00094600   -0.00030800
 C                  7.21794300    1.60682500   -1.82279300
 H                  5.24672600    2.20882000   -2.50716200
 C                  7.21794300   -1.60867200    1.82222100
 H                  5.24672600   -2.21020200    2.50699500
 C                  7.98599300   -0.84693000    0.95840100
 C                  7.98599400    0.84490600   -0.95913100
 H                  7.71279900    2.24711400   -2.54807700
 H                  7.71280000   -2.24907100    2.54740800
 H                  9.07095200   -0.88864600    1.00484100
 H                  9.07095300    0.88636900   -1.00579100
94
B
 C                  5.26456200   -2.56749300   -1.84824700
 C                  4.80382400   -1.91295600   -0.71604800
 C                  5.73103200   -1.73555100    0.36159100
 C                  7.05379300   -2.17091000    0.35000100
 C                  7.49960900   -2.84497900   -0.83366200
 C                  6.61886400   -3.02598200   -1.88591000
 H                  4.62528500   -2.74657300   -2.70688300
 C                  5.11407500   -1.03162400    1.44391600
 C                  7.83383600   -1.88656000    1.51760600
 H                  8.52243400   -3.20653700   -0.90052900
 H                  6.96190600   -3.53847100   -2.78134400
 C                  7.25468000   -1.20801000    2.57583400
 C                  5.89346200   -0.76923900    2.55898600
 H                  8.87307200   -2.20144000    1.56627000
 H                  7.85123500   -0.99594100    3.45964600
 H                  5.50122200   -0.24248400    3.42291200
 C                  3.74029200   -0.76173400    1.00747500
 C                  3.55597400   -1.29288900   -0.27010100
 N                  2.68487900   -0.04617200    1.55542200
 N                  2.32756400   -1.05138500   -0.87999000
 Al                 1.37471800    0.11492100    0.22790200
 C                  2.01472200   -1.67362400   -2.15134000
 H                  2.64576900   -1.29894200   -2.97516700
 H                  2.13735800   -2.76682000   -2.11733500
 H                  0.97266500   -1.46457600   -2.41410600
 C                  2.79650800    0.49594600    2.89548100
 H                  3.58445800    1.26328800    2.97560400
 H                  1.85037900    0.96587100    3.18205600
 H                  3.01941800   -0.28274900    3.64045000
 Al                -1.14413500    0.12528800    0.42768900
 N                 -2.34560400    1.55492500    0.24140400
 N                 -2.23543500   -0.63721900    1.75353800
 C                 -3.53809600    1.07558300    0.74079700
 C                 -2.32931900    2.72380300   -0.61698200
 C                 -3.48099500   -0.07994800    1.54194500
 C                 -2.10019500   -1.83970100    2.55109100
 C                 -4.94008500    1.46380700    0.56771400
 H                 -2.75286100    3.60550500   -0.11395600
 H                 -1.29475000    2.96201900   -0.88311200
 H                 -2.88830300    2.56580800   -1.55264300
 C                 -4.84436100   -0.46907000    1.90966400
 H                 -2.48316800   -1.69973000    3.57252900
 H                 -2.63062900   -2.70359000    2.11559500
 H                 -1.04237900   -2.10892600    2.62816100
 C                 -5.70452400    0.48998600    1.28563100
 C                 -5.63743000    2.45498600   -0.10480600
 C                 -5.44546400   -1.49459800    2.62184200
 C                 -7.09738700    0.46120500    1.34170300
 C                 -7.06575500    2.45134000   -0.05980200
 H                 -5.12952500    3.22904300   -0.67038500
 C                 -6.87237300   -1.54222800    2.70403700
 H                 -4.86463600   -2.26284400    3.12120400
 C                 -7.68808900   -0.60665100    2.09206100
 C                 -7.78984900    1.49461100    0.63163300
 H                 -7.59851500    3.23470500   -0.59304900
 H                 -7.32639400   -2.35070500    3.27134600
 H                 -8.76938700   -0.67940500    2.17405500
 H                 -8.87626700    1.52401200    0.63926400
 C                  5.98426500    3.21194900   -0.65750300
 C                  5.17574700    4.44005900   -0.21481900
 C                  3.92397800    4.71389700   -1.04360500
 C                  5.21139000    1.89029000   -0.59704300
 C                  3.94197600    1.86662800   -1.48532800
 C                  2.77864900    2.56567300   -0.83821300
 H                  6.33917800    3.37363900   -1.68534200
 H                  4.87831100    4.35140800    0.83779000
 H                  4.10150900    4.59835000   -2.11828100
 H                  4.93244000    1.64840100    0.43364400
 H                  3.62851900    0.83988100   -1.66739000
 H                  6.87867300    3.12986500   -0.02967400
 H                  5.80733300    5.33393700   -0.28802100
 H                  3.54179700    5.71841400   -0.86137100
 H                  5.85402200    1.06988000   -0.92989500
 H                  4.15106600    2.34118000   -2.45216200
 O                  1.76809700    1.97429400   -0.41874800
 O                  2.78789300    3.87446600   -0.65887200
 O                 -1.90069400   -0.95982600   -1.09287200
 C                 -3.11380400   -1.02473900   -1.39696100
 C                 -3.99477900   -2.15467200   -0.93506200
 O                 -3.55619400   -0.11105500   -2.25331700
 C                 -4.45698600   -3.07827100   -2.08787700
 H                 -3.40827500   -2.70860900   -0.20157300
 H                 -4.87197900   -1.75541200   -0.41262300
 C                 -4.96139900   -0.04393500   -2.64275300
 C                 -5.64141100   -2.51600300   -2.88636300
 H                 -3.61203400   -3.29205100   -2.75502300
 H                 -4.75279100   -4.03457400   -1.64295900
 C                 -5.36570200   -1.17562600   -3.58222300
 H                 -5.57837100   -0.00128900   -1.74090000
 H                 -5.02538400    0.92357500   -3.14187800
 H                 -6.49467300   -2.39067000   -2.20523300
 H                 -5.94862800   -3.25166400   -3.63908900
 H                 -4.58502700   -1.28704800   -4.34592000
 H                 -6.27370300   -0.85114500   -4.10569400
92
C
 C                 -5.62580000   -2.66153800    1.55133500
 C                 -5.03834000   -1.92633400    0.53348400
 C                 -5.86831400   -1.56230000   -0.57584000
 C                 -7.21628600   -1.89117400   -0.69994600
 C                 -7.79432100   -2.65091800    0.36871900
 C                 -7.00823200   -3.01347900    1.44862800
 H                 -5.06622600   -2.98195700    2.42426600
 C                 -5.12342700   -0.80501400   -1.53448800
 C                 -7.88482400   -1.42674800   -1.87867200
 H                 -8.84209000   -2.93693800    0.32752400
 H                 -7.45148300   -3.59103400    2.25606900
 C                 -7.18097000   -0.69294900   -2.81781600
 C                 -5.79606700   -0.37097500   -2.66522200
 H                 -8.93746100   -1.65147100   -2.03000500
 H                 -7.69335500   -0.34543300   -3.71143900
 H                 -5.30247000    0.20470600   -3.44150000
 C                 -3.76853000   -0.69702700   -0.98508600
 C                 -3.71797600   -1.36585700    0.23890700
 N                 -2.61909700   -0.03274600   -1.39123300
 N                 -2.51592500   -1.30425200    0.94023400
 Al                -1.37584600   -0.15876000    0.00205100
 C                 -2.35596800   -2.06333900    2.16517100
 H                 -3.00764400   -1.70073900    2.97736600
 H                 -2.57561500   -3.13205500    2.02064500
 H                 -1.32053200   -1.98414400    2.51303400
 C                 -2.57037800    0.59651500   -2.69646400
 H                 -3.27749900    1.43806300   -2.78815200
 H                 -1.56597700    0.99227100   -2.87742000
 H                 -2.79933200   -0.11188500   -3.50676600
 Al                 1.14531000   -0.29205200   -0.12214500
 N                  2.29422800    1.17085600   -0.06393200
 N                  2.33243300   -1.24305000   -1.22466700
 C                  3.47586700    0.77652100   -0.68028400
 C                  2.14366600    2.52735200    0.42859400
 C                  3.49796600   -0.48466900   -1.27989500
 C                  2.21012700   -2.43768500   -2.04423100
 C                  4.80788000    1.37863200   -0.78212500
 H                  2.35413200    3.27527000   -0.35073900
 H                  1.11437800    2.67839400    0.76828200
 H                  2.81062400    2.74533200    1.27904600
 C                  4.85058500   -0.75041300   -1.78085700
 H                  2.40758800   -2.23090400   -3.10679300
 H                  2.90023400   -3.23567000   -1.72971900
 H                  1.19238600   -2.83292400   -1.96582200
 C                  5.61809000    0.41184200   -1.45548200
 C                  5.41962800    2.55336000   -0.37666200
 C                  5.50705300   -1.78695000   -2.42349400
 C                  6.97656500    0.56610200   -1.72394000
 C                  6.81270100    2.73900300   -0.64047400
 H                  4.87495400    3.33633600    0.14090300
 C                  6.89969800   -1.65210200   -2.71932700
 H                  4.99654400   -2.70074600   -2.70922500
 C                  7.62781500   -0.52290800   -2.38803300
 C                  7.58231200    1.78922200   -1.29008800
 H                  7.27832600    3.66547000   -0.31389900
 H                  7.39913300   -2.47569600   -3.22334600
 H                  8.68688700   -0.46003400   -2.62435400
 H                  8.63983900    1.96508300   -1.46938800
 C                  6.60468800   -1.54407600    2.32230400
 C                  6.02112700   -0.32409600    1.96807900
 C                  4.65238800   -0.12628700    2.16100300
 C                  3.85314900   -1.14552200    2.69730400
 C                  4.44892500   -2.36329600    3.06393200
 C                  5.81995100   -2.56088800    2.87967400
 H                  7.66696600   -1.70424300    2.16182200
 H                  6.61824100    0.46345600    1.51898900
 H                  4.19449100    0.81189800    1.87265900
 H                  3.83770700   -3.15645100    3.48909000
 H                  6.27351200   -3.50618800    3.16360400
 C                  2.36304000   -0.97994200    2.77326500
 H                  2.06782300    0.06484100    2.88691200
 H                  1.92180400   -1.57599200    3.57632800
 O                  1.73396500   -1.43040000    1.51285400
 H                  2.33398000   -2.05907300    1.07039700
 C                 -5.36306100    3.76296400    0.36209300
 C                 -4.26116900    4.83017700    0.44111700
 C                 -3.28025200    4.65469200    1.59684500
 C                 -4.85153500    2.32838400    0.18992300
 C                 -3.91466700    1.85960900    1.33144700
 C                 -2.51458700    2.37768200    1.16274300
 H                 -5.97157400    3.81622200    1.27584900
 H                 -3.68713900    4.86932400   -0.49342100
 H                 -3.78114000    4.38984400    2.53416100
 H                 -4.33325700    2.20843900   -0.76738900
 H                 -3.85711600    0.77256000    1.34648400
 H                 -6.03300400    4.00535000   -0.47057700
 H                 -4.72438600    5.81666300    0.56512500
 H                 -2.69585200    5.56041600    1.75932600
 H                 -5.69710300    1.63526500    0.16164300
 H                 -4.30760200    2.19469200    2.29924900
 O                 -1.54662300    1.65921100    0.85191200
 O                 -2.24200400    3.66058100    1.31682500
92
C-D
 C                 -6.06961000   -0.42770800    2.49854000
 C                 -5.48139600   -0.82065900    1.30618000
 C                 -6.33018000   -1.42970400    0.32653600
 C                 -7.69512800   -1.65443500    0.48903000
 C                 -8.27315900   -1.23798100    1.73237000
 C                 -7.46989200   -0.64567500    2.69108600
 H                 -5.49832500    0.03967400    3.29435900
 C                 -5.58183200   -1.77256000   -0.84345800
 C                 -8.37838800   -2.27679800   -0.60523400
 H                 -9.33381700   -1.38836000    1.91621400
 H                 -7.91288100   -0.33210800    3.63323500
 C                 -7.67154800   -2.61779200   -1.74515300
 C                 -6.26940700   -2.37348200   -1.88523200
 H                 -9.44435000   -2.47807600   -0.53605000
 H                 -8.19516100   -3.09104800   -2.57206200
 H                 -5.77611100   -2.66577900   -2.80641500
 C                 -4.20315100   -1.35497600   -0.56633200
 C                 -4.14642000   -0.79248500    0.70812300
 N                 -3.01994400   -1.41174600   -1.29499000
 N                 -2.90339700   -0.33271900    1.14628700
 Al                -1.74785900   -0.49467600   -0.30420600
 C                 -2.74202500    0.07810400    2.52526500
 H                 -3.28548000    1.00915300    2.76016600
 H                 -3.08980300   -0.69073800    3.23091400
 H                 -1.68164100    0.25510800    2.73919200
 C                 -3.00638100   -2.01967300   -2.61064200
 H                 -3.63996100   -1.47654200   -3.32978600
 H                 -1.98538800   -2.01813400   -3.00683600
 H                 -3.34959400   -3.06499200   -2.58757900
 Al                 0.78194800   -0.61431400   -0.13670700
 N                  2.04078300   -1.66645600   -1.01369200
 N                  2.01839000   -0.34519700    1.37207500
 C                  3.19819300   -1.66647100   -0.25786700
 C                  1.95725200   -2.45640400   -2.23033700
 C                  3.20400500   -1.02073000    0.97360100
 C                  1.70843400   -0.31574400    2.80559500
 C                  4.56052800   -2.17087700   -0.53354100
 H                  2.22216500   -3.50917700   -2.05776300
 H                  0.93144700   -2.43071900   -2.61134100
 H                  2.61359700   -2.06940400   -3.02471700
 C                  4.55192700   -1.05143900    1.53237200
 H                  1.64607300   -1.32650700    3.23029600
 H                  2.46030500    0.24605700    3.37139700
 H                  0.74295300    0.17819800    2.95630900
 C                  5.34554500   -1.77331400    0.58554500
 C                  5.19179800   -2.84613200   -1.56185000
 C                  5.19750800   -0.55892000    2.65500200
 C                  6.71586600   -2.00620000    0.71129200
 C                  6.59263300   -3.10707900   -1.45817400
 H                  4.66101600   -3.17900600   -2.44706400
 C                  6.59840600   -0.79296500    2.81356300
 H                  4.67330200    0.00925100    3.41651300
 C                  7.35154600   -1.49175100    1.88621800
 C                  7.34294000   -2.70585600   -0.36515200
 H                  7.08023600   -3.63753800   -2.27160300
 H                  7.08608800   -0.39908000    3.70171400
 H                  8.41658100   -1.64361200    2.03979400
 H                  8.40892000   -2.91555400   -0.32612500
 C                  6.28140500    1.86232400   -0.34034400
 C                  5.71442900    0.94697000   -1.23125300
 C                  4.35691800    1.03219100   -1.54909800
 C                  3.55283800    2.02944700   -0.98245000
 C                  4.13225000    2.94970100   -0.09644800
 C                  5.48966000    2.86783000    0.22438500
 H                  7.33187300    1.78334300   -0.07661600
 H                  6.31767000    0.14932600   -1.65327400
 H                  3.91077200    0.30233300   -2.21792500
 H                  3.51529000    3.72727100    0.34900300
 H                  5.92684600    3.58020900    0.91841000
 C                  2.06980500    2.06324000   -1.24794400
 H                  1.83172500    1.65355300   -2.23409500
 H                  1.69357400    3.09168000   -1.20548700
 O                  1.33881300    1.29296300   -0.25795200
 H                  1.90577800    0.90363200    0.63177600
 C                 -2.48637200    5.24168400    0.45726900
 C                 -2.31614400    5.41145400   -1.05913600
 C                 -1.08263800    4.72823200   -1.64173200
 C                 -2.62981200    3.78804300    0.92725400
 C                 -1.42502000    2.89193100    0.55034900
 C                 -1.47082600    2.44099500   -0.88414100
 H                 -1.61959700    5.69192100    0.96137600
 H                 -3.19990200    5.04445000   -1.59606000
 H                 -0.19463000    4.86869400   -1.01529000
 H                 -3.55093300    3.34095200    0.53469600
 H                 -1.41993400    1.99309200    1.16366200
 H                 -3.36505800    5.80962900    0.78267400
 H                 -2.22960500    6.47963600   -1.29213000
 H                 -0.86175900    5.09748100   -2.64318800
 H                 -2.71886900    3.77153700    2.01819600
 H                 -0.48184900    3.42042400    0.72882900
 O                 -1.71482200    1.27349000   -1.22342100
 O                 -1.27935100    3.29773000   -1.87207200
92
D
 C                  5.76389200   -2.15595100   -2.37529900
 C                  5.24726100   -1.63730200   -1.19817000
 C                  6.07352500   -1.71311300   -0.03092800
 C                  7.35044800   -2.26713000    0.00304900
 C                  7.85630100   -2.79495400   -1.22964900
 C                  7.07323500   -2.73147900   -2.36886900
 H                  5.20438200   -2.13833800   -3.30503300
 C                  5.40377800   -1.13638900    1.09578400
 C                  8.02571400   -2.25124100    1.26695000
 H                  8.84753000   -3.23976300   -1.26442700
 H                  7.46146500   -3.13300300   -3.30182000
 C                  7.39512300   -1.69907900    2.36821000
 C                  6.08212200   -1.13541300    2.30442500
 H                  9.02479700   -2.67048700    1.35463200
 H                  7.91151900   -1.68970100    3.32506000
 H                  5.64640900   -0.71837800    3.20669900
 C                  4.10358000   -0.68589100    0.59466400
 C                  4.01025300   -0.98465400   -0.76460600
 N                  3.00809400   -0.06103500    1.18152800
 N                  2.82812700   -0.63476200   -1.41025400
 Al                 1.77565700    0.27801900   -0.17322400
 C                  2.66871400   -0.91738400   -2.82111500
 H                  3.41320400   -0.39467900   -3.44307800
 H                  2.74968200   -1.99309600   -3.04432700
 H                  1.67930100   -0.58504200   -3.15504100
 C                  3.01792300    0.24237300    2.59708600
 H                  3.80582700    0.96403500    2.86873800
 H                  2.05740800    0.68391700    2.88459400
 H                  3.16627700   -0.65662600    3.21540200
 Al                -0.76174600    0.36416800    0.00898600
 N                 -1.78485700   -0.13078400    1.54069200
 N                 -1.86853900   -1.02764600   -1.06955800
 C                 -2.79836300   -0.95366100    1.17901600
 C                 -1.64812000    0.33757500    2.90885400
 C                 -2.88725400   -1.43703300   -0.12440900
 C                 -1.07656200   -2.15794700   -1.64085000
 C                 -3.98864300   -1.45786000    1.92019300
 H                 -1.59935800   -0.49240700    3.62696600
 H                 -0.71745300    0.90569500    3.00255000
 H                 -2.47579700    0.99905600    3.20780900
 C                 -4.08508200   -2.22174200   -0.30250900
 H                 -0.53961800   -2.65607100   -0.83166700
 H                 -1.73287100   -2.88038500   -2.13366700
 H                 -0.35219300   -1.76551700   -2.35883100
 C                 -4.73336000   -2.21082200    0.97440700
 C                 -4.48999900   -1.33404900    3.20406600
 C                 -4.71613800   -2.89803900   -1.33435700
 C                 -5.95478100   -2.83566000    1.24703400
 C                 -5.72797900   -1.96814600    3.51650900
 H                 -3.97499200   -0.77461600    3.97700000
 C                 -5.96264200   -3.54669700   -1.07784200
 H                 -4.29619900   -2.93373400   -2.33553700
 C                 -6.57993700   -3.53055400    0.16181400
 C                 -6.44583900   -2.69574300    2.57834900
 H                 -6.11831600   -1.87256400    4.52579100
 H                 -6.44399300   -4.07227600   -1.89867000
 H                 -7.52985400   -4.03533200    0.31358900
 H                 -7.38874300   -3.15984700    2.85683200
 C                 -5.31169800    0.40957200   -3.20704400
 C                 -4.17626800    1.06194300   -3.70648100
 C                 -3.32299700    1.74506100   -2.83583400
 C                 -3.59094900    1.78630800   -1.45744200
 C                 -4.72530100    1.12660200   -0.96977500
 C                 -5.58519500    0.44443300   -1.83790800
 H                 -5.97153900   -0.12936900   -3.88098800
 H                 -3.95887800    1.03811600   -4.77097100
 H                 -2.43614300    2.24436800   -3.21799100
 H                 -4.92460400    1.12155900    0.09845900
 H                 -6.44669800   -0.08242500   -1.43934600
 C                 -2.62658500    2.49123700   -0.52109200
 H                 -3.03241800    2.45281400    0.50264100
 H                 -2.56835600    3.55524900   -0.80335500
 O                 -1.31946800    1.95048900   -0.57473700
 H                 -2.30335000   -0.51361300   -1.84201500
 C                  0.56672400    6.25960300    0.59632700
 C                  0.61177700    5.39583700    1.86339200
 C                  0.06352500    3.98600600    1.68268100
 C                  1.37035600    5.69743200   -0.58344100
 C                  0.87591300    4.32627800   -1.09304800
 C                  1.29287200    3.15273600   -0.25412800
 H                 -0.48083300    6.38095900    0.28620000
 H                  1.63616900    5.32422000    2.25012600
 H                 -0.86952400    3.95961500    1.11282900
 H                  2.43332900    5.62897600   -0.32001000
 H                  1.25533500    4.12466900   -2.09586500
 H                  0.93880000    7.26235400    0.83567200
 H                  0.01215000    5.87378700    2.64792800
 H                 -0.10396000    3.50181200    2.64540300
 H                  1.30429000    6.39801900   -1.42247600
 H                 -0.22000000    4.30320600   -1.14860700
 O                  1.92973900    2.20282400   -0.74327300
 O                  1.00987000    3.07988900    1.03538100
92
D-E
 C                  6.02335100    0.04345200   -2.68236500
 C                  5.45258600   -0.40795400   -1.50192400
 C                  6.30420700   -1.11834000   -0.59457500
 C                  7.65223200   -1.38580600   -0.81492600
 C                  8.21199800   -0.90736100   -2.04493600
 C                  7.40694800   -0.21781100   -2.93441700
 H                  5.45116500    0.59190100   -3.42393600
 C                  5.57344600   -1.51375300    0.57161900
 C                  8.34094000   -2.11109500    0.21164800
 H                  9.25974300   -1.08709500   -2.27196700
 H                  7.83543800    0.14377400   -3.86618000
 C                  7.65264900   -2.50261300    1.34654200
 C                  6.26621000   -2.21347300    1.54714000
 H                  9.39525600   -2.34894100    0.09518100
 H                  8.17957400   -3.05241000    2.12271900
 H                  5.78775600   -2.54931900    2.46154000
 C                  4.20820800   -1.02436900    0.36751600
 C                  4.13759600   -0.36927300   -0.86160000
 N                  3.04224300   -1.08572300    1.12180400
 N                  2.90290100    0.16387500   -1.22529400
 Al                 1.72585200   -0.15840300    0.18582800
 C                  2.75034700    0.80381100   -2.51312000
 H                  3.35757900    1.71917000   -2.60865700
 H                  3.02559000    0.13931700   -3.34789600
 H                  1.70351200    1.09306200   -2.66039200
 C                  3.04229500   -1.75158100    2.40698700
 H                  3.72973000   -1.27762200    3.12617300
 H                  2.03746800   -1.71064800    2.84190300
 H                  3.32580700   -2.81359000    2.33036000
 Al                -0.77670000   -0.55783300    0.10885800
 N                 -2.00063100   -1.79441800    0.87159200
 N                 -2.14061200   -0.43568600   -1.49949100
 C                 -3.14134500   -1.90589300    0.14497300
 C                 -1.77954700   -2.62117400    2.04996600
 C                 -3.28361100   -1.19819400   -1.04249200
 C                 -1.54836200   -0.94834200   -2.77564300
 C                 -4.40017700   -2.66825300    0.36348300
 H                 -1.81355800   -3.69217200    1.81000400
 H                 -0.79064400   -2.40318300    2.46243400
 H                 -2.52027300   -2.42724000    2.83944200
 C                 -4.58181900   -1.43599700   -1.63424200
 H                 -1.20662600   -1.97227000   -2.61362600
 H                 -2.29164600   -0.94169400   -3.57719500
 H                 -0.69192300   -0.32828600   -3.05408200
 C                 -5.23552000   -2.34126400   -0.73710800
 C                 -4.88569400   -3.53939700    1.32303200
 C                 -5.28336800   -1.02822500   -2.75772800
 C                 -6.53000800   -2.83773000   -0.92044200
 C                 -6.20097000   -4.06418800    1.16337700
 H                 -4.29969100   -3.83873700    2.18482100
 C                 -6.60824100   -1.52333300   -2.96476400
 H                 -4.85512000   -0.34310100   -3.48459400
 C                 -7.22976200   -2.39793700   -2.08983900
 C                 -7.00569400   -3.73177700    0.08306400
 H                 -6.57949300   -4.74973700    1.91606600
 H                 -7.14455700   -1.19395600   -3.85078400
 H                 -8.23876800   -2.75006700   -2.28448700
 H                 -8.00294300   -4.15601800   -0.00170600
 C                 -2.79735100    6.17220400   -1.03338900
 C                 -1.42028100    6.20427700   -1.27073500
 C                 -0.67756500    5.01878800   -1.25079900
 C                 -1.30530700    3.79341200   -1.00035500
 C                 -2.68722000    3.76719900   -0.76362400
 C                 -3.42990800    4.94940100   -0.77814100
 H                 -3.37405100    7.09249200   -1.04306400
 H                 -0.92157200    7.15004700   -1.46191500
 H                  0.39584700    5.04891000   -1.42118300
 H                 -3.17693500    2.82135900   -0.54758200
 H                 -4.49931300    4.91824100   -0.58978800
 C                 -0.50727400    2.51106800   -1.00820100
 H                  0.56898200    2.70026700   -0.94841200
 H                 -0.68398600    1.95313200   -1.93563100
 O                 -0.89521700    1.63422900    0.07040700
 H                 -2.40806100    0.53916500   -1.64532400
 C                 -1.01831800    2.61310100    4.42808700
 C                 -1.51089100    1.17264100    4.22755500
 C                 -1.88796000    0.81466000    2.79457900
 C                  0.14197100    3.03931300    3.51400300
 C                 -0.23925600    3.06078200    2.02205700
 C                 -0.04786200    1.71322000    1.33519900
 H                 -1.86007700    3.30152300    4.26511900
 H                 -0.74534400    0.45798400    4.55469800
 H                 -2.50932300    1.57672000    2.31221300
 H                  1.01122800    2.38657700    3.65755400
 H                  0.40660500    3.75117300    1.47385300
 H                 -0.71701500    2.73697500    5.47523100
 H                 -2.39368400    1.00271300    4.85755200
 H                 -2.42949300   -0.12995500    2.75578000
 H                  0.45749400    4.04763300    3.80331100
 H                 -1.26548700    3.41309700    1.88735400
 O                  1.21320400    1.41935000    1.08151500
 O                 -0.69367600    0.58171400    1.99072200
92
E
 C                  5.74713400   -0.61004000   -2.65411700
 C                  5.20458900   -0.95912000   -1.42668600
 C                  6.08140500   -1.57674900   -0.47674800
 C                  7.42831300   -1.84913600   -0.69931600
 C                  7.95875500   -1.47692300   -1.97784600
 C                  7.12877900   -0.87833700   -2.90929700
 H                  5.15440800   -0.13789100   -3.43108800
 C                  5.37820100   -1.87335500    0.73448700
 C                  8.14490100   -2.47248200    0.37382200
 H                  9.00423400   -1.66499300   -2.20844500
 H                  7.53507200   -0.59728800   -3.87797900
 C                  7.48330400   -2.76738400    1.55295500
 C                  6.09768700   -2.47552800    1.75466700
 H                  9.19940000   -2.70960100    0.25774000
 H                  8.03136900   -3.24016000    2.36437400
 H                  5.64128700   -2.73245100    2.70516000
 C                  4.00336600   -1.41818400    0.51461000
 C                  3.90133600   -0.87677000   -0.76593200
 N                  2.85373200   -1.42244900    1.29713200
 N                  2.65482400   -0.38498000   -1.15063300
 Al                 1.51433500   -0.59112900    0.31253800
 C                  2.47623200    0.12661300   -2.49197700
 H                  3.09324900    1.01819400   -2.69136700
 H                  2.72054600   -0.62055700   -3.26379800
 H                  1.43209800    0.42086900   -2.64236900
 C                  2.88467200   -1.99254800    2.62749700
 H                  3.56965000   -1.45290600    3.30095300
 H                  1.88492600   -1.94294400    3.07316700
 H                  3.19160700   -3.05054200    2.62237700
 Al                -0.97555600   -1.07527700    0.24860300
 N                 -2.40394100   -2.16739500    0.82002200
 N                 -2.16760000   -0.45303100   -1.31779100
 C                 -3.51615500   -1.91340400    0.07491800
 C                 -2.44032100   -3.13177600    1.91136300
 C                 -3.46013500   -1.02031500   -0.99044800
 C                 -1.66688600   -0.81872400   -2.67774200
 C                 -4.92103900   -2.38886600    0.18541100
 H                 -2.76018700   -4.12467600    1.56906600
 H                 -1.43820800   -3.23465200    2.33637500
 H                 -3.11460600   -2.81082700    2.71798400
 C                 -4.76254100   -0.86766800   -1.60350800
 H                 -1.54835500   -1.90267000   -2.73217100
 H                 -2.37329100   -0.49934900   -3.44819300
 H                 -0.69812200   -0.34148700   -2.84095300
 C                 -5.62830700   -1.72293400   -0.85044700
 C                 -5.62126700   -3.25172500    1.01067800
 C                 -5.32024900   -0.14521600   -2.64584800
 C                 -6.99648700   -1.87605600   -1.09748400
 C                 -7.01625000   -3.43206500    0.78160900
 H                 -5.14652500   -3.79521300    1.81973900
 C                 -6.71612800   -0.28769800   -2.91774200
 H                 -4.72625800    0.52658600   -3.25964400
 C                 -7.54392700   -1.11857500   -2.18202500
 C                 -7.69248800   -2.77227600   -0.23440800
 H                 -7.56279200   -4.11201100    1.42864700
 H                 -7.13876600    0.28501300   -3.73891500
 H                 -8.60070400   -1.19681700   -2.42084000
 H                 -8.75740300   -2.93885900   -0.37513600
 C                  0.18712000    7.00436900   -0.19896300
 C                  1.40797200    6.33034400   -0.10883800
 C                  1.47301800    4.95936600   -0.38260300
 C                  0.32305800    4.25360000   -0.75466500
 C                 -0.89748300    4.93811300   -0.84901100
 C                 -0.96801200    6.30395200   -0.57006100
 H                  0.13353700    8.06749500    0.01760000
 H                  2.30714300    6.86648400    0.18119500
 H                  2.42039100    4.43288000   -0.29622100
 H                 -1.79368100    4.39088300   -1.12986100
 H                 -1.91906900    6.82425100   -0.64367700
 C                  0.39018000    2.77275200   -1.05376000
 H                  1.39475600    2.37964300   -0.87192100
 H                  0.13690400    2.58451200   -2.10197000
 O                 -0.57763400    1.99825500   -0.31381100
 H                 -2.16502700    0.56836400   -1.24266600
 C                 -1.86855700    2.13125000    3.96773500
 C                 -2.63467200    0.98853100    3.28732200
 C                 -2.59724300    1.01137100    1.76507800
 C                 -0.41703400    2.31703400    3.49415800
 C                 -0.30462200    2.76252300    2.02500600
 C                 -0.19815400    1.61022200    1.02225700
 H                 -2.41123600    3.07252600    3.79963700
 H                 -2.23846200    0.01687900    3.60856600
 H                 -2.80630500    1.99797400    1.34284500
 H                  0.16064500    1.39636100    3.63904500
 H                  0.61190100    3.33670000    1.87242400
 H                 -1.87772100    1.96059800    5.05109400
 H                 -3.68745000    1.01848600    3.59700300
 H                 -3.31708200    0.30698600    1.34748100
 H                  0.05267400    3.08043700    4.12402000
 H                 -1.13023300    3.42464900    1.75002000
 O                  0.97684900    1.00035900    1.08682400
 O                 -1.28670400    0.57267100    1.28575500
92
E-F
 C                  5.41489600   -0.98853500   -2.66605300
 C                  4.81319200   -1.28959500   -1.45337000
 C                  5.65550800   -1.80972000   -0.41720600
 C                  7.02287300   -2.03970900   -0.54569300
 C                  7.61369700   -1.72380300   -1.81299200
 C                  6.81850000   -1.21355300   -2.82412400
 H                  4.85217300   -0.58536200   -3.50203800
 C                  4.89818600   -2.04608800    0.77308100
 C                  7.69747600   -2.56008400    0.60583200
 H                  8.67722100   -1.88210500   -1.97199300
 H                  7.27108400   -0.97156700   -3.78274400
 C                  6.98119100   -2.80119000    1.76531400
 C                  5.57753100   -2.54844100    1.87094500
 H                  8.76512600   -2.76056700    0.56516000
 H                  7.49887300   -3.19605100    2.63604300
 H                  5.07679300   -2.75534600    2.81117500
 C                  3.52162100   -1.65409700    0.44997000
 C                  3.47343900   -1.21580900   -0.87281100
 N                  2.34200200   -1.61077900    1.17963700
 N                  2.23815000   -0.77065700   -1.35073800
 Al                 1.08674300   -0.73687300    0.11816200
 C                  2.09618900   -0.47821500   -2.76094800
 H                  2.64027500    0.43154800   -3.06780500
 H                  2.45537900   -1.30446500   -3.39259400
 H                  1.04018800   -0.31958800   -3.00498400
 C                  2.33491800   -1.99938800    2.57447100
 H                  3.00427600   -1.37464200    3.18751000
 H                  1.32346900   -1.88958600    2.98114900
 H                  2.63560900   -3.04889000    2.71883800
 Al                -1.44156600   -0.74391800    0.14774100
 N                 -2.96582300   -1.66486900    0.76582700
 N                 -2.60009900    0.00333000   -1.40099000
 C                 -4.06312300   -1.27899900    0.05886200
 C                 -3.07718200   -2.61889600    1.86056800
 C                 -3.93804100   -0.40660800   -1.01835900
 C                 -2.20909100   -0.41992700   -2.78048000
 C                 -5.51047100   -1.58204700    0.22007800
 H                 -3.53214000   -3.56353200    1.53514300
 H                 -2.07881000   -2.84688300    2.24381500
 H                 -3.67192700   -2.21835400    2.69380200
 C                 -5.23319600   -0.10446200   -1.59077400
 H                 -2.20390600   -1.51048100   -2.82640000
 H                 -2.91777500   -0.03542300   -3.51807900
 H                 -1.20770300   -0.04343300   -3.00024900
 C                 -6.16811700   -0.84523500   -0.80010600
 C                 -6.27973900   -2.34876100    1.07816600
 C                 -5.73726700    0.67036300   -2.62295800
 C                 -7.55241200   -0.83765600   -1.00125100
 C                 -7.69302900   -2.36405800    0.89680700
 H                 -5.84571100   -2.93805300    1.87775500
 C                 -7.14836300    0.69102600   -2.84839400
 H                 -5.09136800    1.26459200   -3.26351600
 C                 -8.04313800   -0.03020500   -2.07665600
 C                 -8.32002700   -1.63759100   -0.10520600
 H                 -8.29436300   -2.96858600    1.56957400
 H                 -7.52743400    1.30296800   -3.66249500
 H                 -9.10915400    0.01439000   -2.28048300
 H                 -9.40132900   -1.67726200   -0.20921900
 C                  4.20901200    4.63342400   -0.04642000
 C                  4.21738800    3.26387800   -0.32915100
 C                  3.03614500    2.61710400   -0.70459100
 C                  1.83901100    3.33775400   -0.81296900
 C                  1.83785100    4.71178700   -0.53202800
 C                  3.01511200    5.35812900   -0.14703900
 H                  5.12621000    5.13452300    0.25063600
 H                  5.13755500    2.69237200   -0.24775500
 H                  3.03764700    1.54781600   -0.89092900
 H                  0.90941200    5.27284600   -0.61007600
 H                  3.00368200    6.42287300    0.06965900
 C                  0.55313600    2.64950700   -1.20947500
 H                  0.75598100    1.64338000   -1.58257200
 H                  0.03481000    3.21206400   -1.99067000
 O                 -0.42368200    2.60523400   -0.13849800
 H                 -2.49735600    1.02023100   -1.33881300
 C                 -1.68466200    1.93305300    4.06807000
 C                 -2.69822500    1.15790100    3.21266600
 C                 -2.66229700    1.48216600    1.72302600
 C                 -0.23108300    1.91176900    3.56088400
 C                 -0.03343400    2.66796400    2.23634700
 C                 -0.12014300    1.80759900    0.98062600
 H                 -2.00828100    2.98128100    4.13962200
 H                 -2.53540000    0.07752900    3.31424100
 H                 -2.66068300    2.55780400    1.52323000
 H                  0.12698900    0.88129700    3.44561200
 H                  0.97401700    3.09192000    2.17134900
 H                 -1.71619300    1.53302500    5.08900100
 H                 -3.71305300    1.35821700    3.58056800
 H                 -3.52687000    1.05223800    1.21119500
 H                  0.40244000    2.37469700    4.32530200
 H                 -0.72741600    3.50961200    2.15334600
 O                  0.86330700    0.96023200    0.83972000
 O                 -1.47865400    0.90447500    1.11088200
92
F
 C                  4.04567100   -3.40889400   -2.11284300
 C                  3.54381400   -2.72125000   -1.01901500
 C                  4.19154600   -2.93211200    0.24081900
 C                  5.28393700   -3.77219800    0.44065600
 C                  5.78032100   -4.46781700   -0.70982300
 C                  5.16734500   -4.27870800   -1.93579500
 H                  3.61291400   -3.30779500   -3.10295400
 C                  3.56372300   -2.15310800    1.26479700
 C                  5.79891000   -3.85201600    1.77520500
 H                  6.63207100   -5.13629900   -0.61503700
 H                  5.54716500   -4.80896800   -2.80564200
 C                  5.20226900   -3.11133400    2.78071600
 C                  4.08146600   -2.25485200    2.54683800
 H                  6.65106700   -4.49113300    1.99142100
 H                  5.59527400   -3.17729800    3.79227300
 H                  3.66314400   -1.69966500    3.38021100
 C                  2.48494000   -1.41988000    0.59839800
 C                  2.46809500   -1.76297300   -0.75434300
 N                  1.54899000   -0.48626700    1.02708900
 N                  1.50445600   -1.15163000   -1.55051200
 Al                 0.63556400    0.11463700   -0.48476900
 C                  1.43507100   -1.46627700   -2.96182700
 H                  2.35509400   -1.19068100   -3.50330400
 H                  1.25666200   -2.53770200   -3.14376200
 H                  0.61010200   -0.91258600   -3.42454500
 C                  1.53555400   -0.06711300    2.41329500
 H                  2.47179700    0.43358800    2.70831000
 H                  0.71973300    0.64575700    2.57513700
 H                  1.37517700   -0.91032200    3.10242700
 Al                -1.83387300    0.73325200   -0.51295000
 N                 -2.93707300    0.39245300    1.00756300
 N                 -3.10244100   -0.48762900   -1.60774700
 C                 -4.08195700   -0.20909100    0.60434300
 C                 -2.72122100    0.71828300    2.40728900
 C                 -4.23644200   -0.62996900   -0.71565300
 C                 -2.53156300   -1.79154700   -2.06370300
 C                 -5.34281600   -0.54249800    1.32548300
 H                 -2.82298200   -0.16315000    3.05494500
 H                 -1.70617900    1.10493300    2.53682700
 H                 -3.41813200    1.48975200    2.76712700
 C                 -5.53588500   -1.22846800   -0.91686700
 H                 -2.17663800   -2.34086700   -1.18993400
 H                 -3.28970500   -2.38860200   -2.57767700
 H                 -1.68785900   -1.60492800   -2.73290000
 C                 -6.18389900   -1.15259500    0.35871100
 C                 -5.82432700   -0.39017800    2.61394800
 C                 -6.24369600   -1.80506700   -1.96059000
 C                 -7.47805100   -1.61615600    0.61675100
 C                 -7.13970800   -0.85270400    2.90932200
 H                 -5.23678000    0.06509400    3.40313000
 C                 -7.56696200   -2.28738500   -1.71834000
 H                 -5.82039900   -1.89777300   -2.95729400
 C                 -8.18355500   -2.20590400   -0.48130300
 C                 -7.94844700   -1.44795100    1.95199700
 H                 -7.51502800   -0.73398600    3.92181300
 H                 -8.10746600   -2.73607300   -2.54784100
 H                 -9.19243200   -2.58322100   -0.34023600
 H                 -8.94537700   -1.78950600    2.21929700
 C                  5.78751000    2.22113300    2.01318200
 C                  5.18648500    1.13515900    1.36999900
 C                  4.58457900    1.30698100    0.12032600
 C                  4.59098800    2.56384300   -0.49779700
 C                  5.19949900    3.65020100    0.14972800
 C                  5.79111600    3.48176000    1.40353900
 H                  6.25413400    2.08674400    2.98515400
 H                  5.17658300    0.15410200    1.83313700
 H                  4.09838900    0.46386400   -0.36019100
 H                  5.20840500    4.62649100   -0.32925400
 H                  6.26091000    4.32676600    1.89893200
 C                  3.94727200    2.75605100   -1.84388700
 H                  3.70398200    1.80418700   -2.31891900
 H                  4.55903300    3.36313200   -2.51181500
 O                  2.70336900    3.55315500   -1.74405900
 H                 -3.36040000    0.06270700   -2.43033400
 C                 -1.32323400    4.84949300    0.41889300
 C                 -2.62940200    4.03301100    0.46990000
 C                 -3.07808600    3.32966700   -0.81798500
 C                 -0.00623300    4.05398200    0.27896300
 C                  0.40897300    3.82622700   -1.19255500
 C                  1.61788500    2.95195200   -1.29743400
 H                 -1.38785100    5.59263000   -0.38876200
 H                 -2.55670200    3.28453800    1.26976100
 H                 -3.14827400    4.07385100   -1.62748400
 H                 -0.09935500    3.08472900    0.78304400
 H                  0.61425100    4.78120400   -1.68151300
 H                 -1.26558500    5.42573000    1.35054800
 H                 -3.43978000    4.71562300    0.76326900
 H                 -4.09479900    2.93475300   -0.65741700
 H                  0.80210200    4.59320400    0.78718000
 H                 -0.41305400    3.31079300   -1.70164400
 O                  1.64718000    1.74784200   -0.99103800
 O                 -2.20700200    2.29864500   -1.23739100
158
A'
 C                 -5.77965000   -2.25423200    0.84828800
 C                 -5.14580500   -1.10100600    0.41827400
 C                 -5.95876500   -0.00338700   -0.00216800
 C                 -7.35606500   -0.01486400   -0.01056600
 C                 -7.98467500   -1.22021600    0.43755800
 C                 -7.20860500   -2.29172800    0.84899000
 H                 -5.21455400   -3.12559800    1.18361600
 C                 -5.15926000    1.10819900   -0.41130000
 C                 -7.99889100    1.18048200   -0.46556400
 H                 -9.07561300   -1.29009600    0.45369900
 H                 -7.70108200   -3.20651400    1.18939800
 C                 -7.23569400    2.26564600   -0.86510100
 C                 -5.80640200    2.25210500   -0.84597300
 H                 -9.09056200    1.23217800   -0.49541200
 H                 -7.73916300    3.17275200   -1.21000800
 H                 -5.25116100    3.13388200   -1.17059500
 C                 -3.77218200    0.66699400   -0.23172800
 C                 -3.76389000   -0.63752500    0.25401800
 N                 -2.53917700    1.26900000   -0.44014500
 N                 -2.52302000   -1.21526500    0.48242900
 Al                -1.25478600    0.03478700    0.02080100
 Al                 1.21963200    0.01928400   -0.00053600
 N                  2.51641300    1.24675100    0.44346500
 N                  2.47897300   -1.23716300   -0.47211800
 C                  3.74375300    0.64772400    0.20572700
 C                  3.72418300   -0.66045800   -0.27216800
 C                  5.13453500    1.09282500    0.34100900
 C                  5.10223100   -1.12565500   -0.46349500
 C                  5.92429900   -0.02235300   -0.07704100
 C                  5.79157400    2.24379300    0.74084200
 C                  5.72638200   -2.28474300   -0.89159100
 C                  7.32142600   -0.03197400   -0.10583900
 C                  7.22076700    2.26020400    0.71927100
 H                  5.24420000    3.12899100    1.06936300
 C                  7.15494900   -2.32110800   -0.92838100
 H                  5.15402700   -3.16173300   -1.19831200
 C                  7.93986900   -1.24272000   -0.55360100
 C                  7.97448100    1.17034100    0.31464600
 H                  7.73178500    3.17302800    1.03677400
 H                  7.63959800   -3.24045200   -1.26767300
 H                  9.03009600   -1.31139300   -0.59769700
 H                  9.06643900    1.22388200    0.31377400
 C                 -2.48072400    2.59866100   -0.95663300
 C                 -2.50207900    2.80260500   -2.35530900
 C                 -2.42092500    3.68851300   -0.05572700
 C                 -2.41950000    4.11662900   -2.83769100
 C                 -2.32994400    4.98322900   -0.58486500
 C                 -2.32684400    5.19867400   -1.96347800
 H                 -2.41815700    4.29500400   -3.91542000
 H                 -2.26311600    5.83851200    0.09043700
 H                 -2.25344700    6.21565200   -2.35740100
 C                 -2.45040400   -2.54826800    0.98849800
 C                 -2.48994600   -2.75893900    2.38798100
 C                 -2.36741500   -3.63448100    0.08665400
 C                 -2.42206300   -4.07395200    2.86673100
 C                 -2.29756600   -4.93283700    0.61387000
 C                 -2.32465400   -5.15495100    1.98952900
 H                 -2.43716900   -4.25707600    3.94322800
 H                 -2.22511800   -5.78398400   -0.06747800
 H                 -2.26748400   -6.17384500    2.38110800
 C                  2.46373200    2.57115300    0.97352000
 C                  2.52848800    2.76152200    2.37432600
 C                  2.35755300    3.66971800    0.08959800
 C                  2.45225400    4.06937900    2.87262700
 C                  2.27749400    4.95917700    0.63564800
 C                  2.32271400    5.16192000    2.01464500
 H                  2.49226400    4.23525400    3.95202100
 H                  2.18221800    5.81892000   -0.03225200
 H                  2.25883300    6.17415700    2.42229800
 C                  2.39724200   -2.57739900   -0.95737700
 C                  2.42443700   -2.81376200   -2.35238800
 C                  2.31970000   -3.64824600   -0.03563500
 C                  2.36019600   -4.13826300   -2.80643600
 C                  2.25049800   -4.95576700   -0.53843200
 C                  2.27310700   -5.20355400   -1.91030200
 H                  2.36952200   -4.33835900   -3.88053600
 H                  2.18275400   -5.79442300    0.15877500
 H                  2.21846500   -6.22973300   -2.28271700
 C                 -2.57422400    1.63100500   -3.32748000
 C                 -3.67048400    1.81210300   -4.38824600
 C                 -1.20054900    1.37774200   -3.97145000
 H                 -2.83556000    0.73369800   -2.74859000
 H                 -4.64972900    1.98870500   -3.91637200
 H                 -3.45766600    2.65883800   -5.06070700
 H                 -3.75019500    0.90797800   -5.01322800
 H                 -0.43063100    1.18584600   -3.20711100
 H                 -1.23463200    0.50528200   -4.64346800
 H                 -0.87168200    2.25017100   -4.55990800
 C                 -2.43409600    3.45740300    1.45073800
 C                 -1.00221800    3.41509900    2.00744700
 C                 -3.29129700    4.48052600    2.20963200
 H                 -2.88738300    2.46969700    1.62295800
 H                 -0.39826500    2.63168300    1.52414400
 H                 -0.47600100    4.36703300    1.83711300
 H                 -1.00196800    3.21466900    3.09063600
 H                 -4.30920800    4.53564800    1.79282700
 H                 -3.37080200    4.19441600    3.27069400
 H                 -2.85426700    5.49175800    2.17855500
 C                 -2.38644000   -3.42988300   -1.42284300
 C                 -1.11914700   -3.98479000   -2.08814900
 C                 -3.66317000   -4.01866100   -2.04721900
 H                 -2.40891200   -2.34610700   -1.60913000
 H                 -0.20921500   -3.55242600   -1.64821800
 H                 -1.04619600   -5.07860700   -1.97823200
 H                 -1.11293400   -3.75819100   -3.16643300
 H                 -4.56561400   -3.58462100   -1.58931400
 H                 -3.69440200   -3.81265300   -3.12973600
 H                 -3.70672600   -5.11231500   -1.91309700
 C                 -2.56065300   -1.58492600    3.35752500
 C                 -3.57512000   -1.79996500    4.48966300
 C                 -1.16186700   -1.26236900    3.91138000
 H                 -2.89881000   -0.70712500    2.78842200
 H                 -4.57049400   -2.04502000    4.08734100
 H                 -3.27252200   -2.61246000    5.17006900
 H                 -3.66737200   -0.88458000    5.09608100
 H                 -0.45023300   -1.04108200    3.09970600
 H                 -1.19325300   -0.38771700    4.58073600
 H                 -0.75678100   -2.11533000    4.48045000
 C                  2.49453200   -1.66832000   -3.35523500
 C                  3.67393400   -1.81779500   -4.32879900
 C                  1.15740200   -1.51557300   -4.09971600
 H                  2.66224000   -0.74061300   -2.79003100
 H                  4.62575500   -1.90659000   -3.78229200
 H                  3.56580000   -2.70714700   -4.97086100
 H                  3.73963500   -0.93844000   -4.98991400
 H                  0.32561900   -1.35889900   -3.39486600
 H                  1.18629900   -0.65461900   -4.78695300
 H                  0.92534400   -2.41597400   -4.69211400
 C                  2.34141100   -3.41653700    1.46999900
 C                  1.06616900   -3.94358100    2.14296900
 C                  3.61053100   -4.00846500    2.10637700
 H                  2.37686800   -2.33008100    1.63690400
 H                  0.16238800   -3.50723400    1.69394100
 H                  0.97940000   -5.03802200    2.05115800
 H                  1.06168500   -3.69852600    3.21729100
 H                  4.51808000   -3.59534200    1.63905400
 H                  3.64492000   -3.78010700    3.18429300
 H                  3.64081900   -5.10512900    1.99557300
 C                  2.34613300    3.48245000   -1.42221300
 C                  1.00501700    3.91729700   -2.02948300
 C                  3.53437400    4.19575400   -2.08819200
 H                  2.46583000    2.40788100   -1.62219300
 H                  0.16106300    3.38170300   -1.57028100
 H                  0.82275300    4.99359200   -1.88273300
 H                  0.98006600    3.71804700   -3.11282200
 H                  4.49064300    3.84987400   -1.66500300
 H                  3.54621200    3.99410700   -3.17187300
 H                  3.47841700    5.28862100   -1.95378600
 C                  2.67887600    1.58940000    3.33783100
 C                  3.95808600    1.70818500    4.18242600
 C                  1.43087700    1.42513500    4.22051100
 H                  2.77491300    0.67358500    2.73749700
 H                  4.84776200    1.79722000    3.54004300
 H                  3.92656900    2.58897100    4.84471300
 H                  4.08371600    0.81719400    4.81903900
 H                  0.52673200    1.29200900    3.60814500
 H                  1.52874900    0.54430400    4.87578600
 H                  1.27229100    2.30721700    4.86263300
194
B'
 C                 -3.62529100    1.06806800    0.20589600
 C                 -3.72285100   -0.24832900    0.63182200
 C                 -5.13808300   -0.59590200    0.80327300
 C                 -5.86608300    0.59076600    0.47382800
 C                 -4.97180900    1.64025200    0.09475000
 C                 -5.52343400    2.85724100   -0.26936200
 H                 -4.89548900    3.70053600   -0.56290200
 C                 -6.94667000    3.00239600   -0.24912100
 H                 -7.37141000    3.96821900   -0.53722400
 C                 -7.79923500    1.97483300    0.12038900
 H                 -8.88219100    2.12630600    0.11951400
 C                 -7.25685400    0.70407200    0.50179400
 C                 -7.98283000   -0.46960400    0.88967400
 H                 -9.07540200   -0.44613900    0.92778800
 C                 -7.29374600   -1.62760600    1.21055500
 H                 -7.85739100   -2.51682300    1.50712400
 C                 -5.86578000   -1.71444900    1.17584100
 H                 -5.37315900   -2.64942100    1.44978500
 C                 -2.14018700    2.95065700   -0.14619500
 C                 -2.30230800    3.68867500    1.05773600
 C                 -2.08771500    5.07417700    1.04042800
 H                 -2.20480700    5.64405700    1.96564000
 C                 -1.70092700    5.73498700   -0.12253800
 H                 -1.52563300    6.81407400   -0.11346600
 C                 -1.52673800    5.00533100   -1.29907700
 H                 -1.21907300    5.53065700   -2.20369200
 C                 -1.75166200    3.62289400   -1.33888600
 C                 -2.64525100    3.01813500    2.38614700
 H                 -2.95360700    1.98719000    2.17954200
 C                 -3.82939700    3.69136600    3.09696400
 H                 -3.59032800    4.71685100    3.42375200
 H                 -4.11316900    3.11831000    3.99433400
 H                 -4.70733900    3.73861400    2.43479700
 C                 -1.40689500    2.94589600    3.29577300
 H                 -0.61373100    2.33877600    2.83443200
 H                 -1.66601800    2.49014100    4.26460400
 H                 -0.99701300    3.95011200    3.49414400
 C                 -1.65888700    2.86044900   -2.65756100
 H                 -1.13576200    1.91419100   -2.45055100
 C                 -0.86432700    3.58480700   -3.74723900
 H                 -0.73546300    2.92807900   -4.62127000
 H                  0.13536700    3.87239500   -3.39630200
 H                 -1.38594700    4.49105600   -4.09633300
 C                 -3.06792900    2.51240100   -3.17244700
 H                 -3.64645500    1.96474900   -2.41951800
 H                 -3.00866800    1.90053500   -4.08981300
 H                 -3.61981400    3.43268400   -3.42467300
 C                 -2.57157200   -2.15678300    1.52526600
 C                 -2.67791900   -3.45751800    0.96936100
 C                 -2.77522400   -4.56175000    1.82695200
 H                 -2.84859600   -5.56751100    1.40823400
 C                 -2.80636100   -4.39704000    3.21203600
 H                 -2.90463100   -5.26651500    3.86738300
 C                 -2.69647600   -3.11766100    3.75412800
 H                 -2.70417500   -2.99474200    4.84021300
 C                 -2.55441500   -1.98885500    2.93476800
 C                 -2.68477800   -3.64237900   -0.54023000
 H                 -3.05003900   -2.69275900   -0.95612800
 C                 -3.62609400   -4.75452100   -1.02178600
 H                 -3.28536100   -5.75308000   -0.70472600
 H                 -3.66969500   -4.77120900   -2.12316500
 H                 -4.64968700   -4.60840100   -0.64143500
 C                 -1.25453200   -3.86866600   -1.04885700
 H                 -0.82759200   -4.79015500   -0.62630900
 H                 -0.58477900   -3.04762800   -0.75768000
 H                 -1.21991000   -3.95493000   -2.14640600
 C                 -2.39738600   -0.61452100    3.57504400
 H                 -2.16690500    0.09672300    2.77124300
 C                 -3.70246100   -0.14755300    4.23965900
 H                 -4.52686600   -0.11972100    3.51195000
 H                 -3.58460900    0.86381000    4.66080000
 H                 -3.99530700   -0.82260300    5.06140300
 C                 -1.21711100   -0.57416300    4.55872000
 H                 -1.35289900   -1.27324200    5.39927500
 H                 -1.10768900    0.43526400    4.98504800
 H                 -0.27761200   -0.83330400    4.04929800
 C                 -2.38290200   -0.77952300   -2.81312200
 C                 -2.23482200   -1.24857300   -4.23224000
 H                 -1.15821400   -1.28767900   -4.43507500
 H                 -2.67163900   -0.48009000   -4.89383200
 C                 -2.89929900   -2.61534900   -4.50107400
 H                 -2.60068400   -3.32133400   -3.70984000
 H                 -2.46962800   -3.00587800   -5.43647500
 C                 -4.42546100   -2.57682100   -4.63398000
 H                 -4.69093000   -1.93270000   -5.49209700
 H                 -4.78276600   -3.58835500   -4.88647700
 C                 -5.17516000   -2.08051300   -3.39313900
 H                 -5.00882200   -2.75079700   -2.53429100
 H                 -6.25932000   -2.09663000   -3.59205300
 C                 -4.82862900   -0.66475800   -2.96649100
 H                 -4.81575500    0.04073700   -3.81276100
 H                 -5.52743400   -0.28916900   -2.20897100
 C                  3.72287300    0.24838200   -0.63165400
 C                  3.62515100   -1.06818000   -0.20626800
 C                  4.97160700   -1.64056800   -0.09535700
 C                  5.86600500   -0.59101800   -0.47398500
 C                  5.13814000    0.59586100   -0.80293900
 C                  5.86593600    1.71452700   -1.17495200
 H                  5.37336900    2.64963300   -1.44855200
 C                  7.29389500    1.62759200   -1.20958500
 H                  7.85764500    2.51689100   -1.50570600
 C                  7.98286200    0.46939600   -0.88915000
 H                  9.07543700    0.44587700   -0.92716200
 C                  7.25677000   -0.70440500   -0.50185500
 C                  7.79901800   -1.97536900   -0.12090900
 H                  8.88196200   -2.12692600   -0.11998700
 C                  6.94635000   -3.00299700    0.24811400
 H                  7.37098700   -3.96896800    0.53587300
 C                  5.52312200   -2.85774500    0.26831400
 H                  4.89510300   -3.70109300    0.56154300
 C                  2.57161800    2.15709100   -1.52464300
 C                  2.55460100    1.98937500   -2.93420100
 C                  2.69632200    3.11836700   -3.75335300
 H                  2.70408800    2.99566000   -4.83945800
 C                  2.80561400    4.39771500   -3.21105400
 H                  2.90361300    5.26733400   -3.86625100
 C                  2.77436700    4.56218800   -1.82595300
 H                  2.84728600    5.56790600   -1.40705800
 C                  2.67752100    3.45777900   -0.96852800
 C                  2.39792500    0.61512600   -3.57473600
 H                  2.16798100   -0.09640800   -2.77103800
 C                  3.70289100    0.14879500   -4.23999800
 H                  3.58526800   -0.86256800   -4.66121700
 H                  4.52767900    0.12120000   -3.51272700
 H                  3.99502800    0.82409200   -5.06179700
 C                  1.21736700    0.57456700   -4.55809800
 H                  1.35288600    1.27362500   -5.39871300
 H                  0.27796000    0.83360700   -4.04848200
 H                  1.10804500   -0.43486700   -4.98442200
 C                  2.68443400    3.64240400    0.54109000
 H                  3.04961300    2.69264000    0.95675600
 C                  1.25426800    3.86884200    1.04984600
 H                  1.21990500    3.95597300    2.14733300
 H                  0.58457000    3.04747600    0.75945000
 H                  0.82708600    4.78992800    0.62666300
 C                  3.62597800    4.75434700    1.02270500
 H                  3.66978800    4.77083700    2.12406800
 H                  3.28531300    5.75299800    0.70585100
 H                  4.64949000    4.60820000    0.64213500
 C                  2.14006900   -2.95079900    0.14552200
 C                  1.75135500   -3.62305600    1.33812600
 C                  1.52664800   -5.00553400    1.29830500
 H                  1.21886900   -5.53087800    2.20287300
 C                  1.70113800   -5.73518300    0.12181100
 H                  1.52595500   -6.81429100    0.11269900
 C                  2.08808800   -5.07434200   -1.04109000
 H                  2.20543400   -5.64423700   -1.96625400
 C                  2.30259800   -3.68883000   -1.05836100
 C                  1.65809300   -2.86064300    2.65674400
 H                  1.13472200   -1.91454900    2.44964700
 C                  3.06693900   -2.51222900    3.17193100
 H                  3.61897600   -3.43235700    3.42437000
 H                  3.00731800   -1.90029000    4.08922800
 H                  3.64551200   -1.96449200    2.41910100
 C                  0.86348200   -3.58521200    3.74623400
 H                 -0.13601700   -3.87314800    3.39501600
 H                  0.73411700   -2.92846300    4.62017200
 H                  1.38529200   -4.49127800    4.09551700
 C                  2.64564500   -3.01820100   -2.38668900
 H                  2.95562400   -1.98777700   -2.17985600
 C                  1.40667800   -2.94392300   -3.29530100
 H                  0.99543800   -3.94756900   -3.49372400
 H                  1.66562000   -2.48811600   -4.26415100
 H                  0.61462800   -2.33602400   -2.83309000
 C                  3.82823200   -3.69274100   -3.09885500
 H                  4.70639700   -3.74254700   -2.43717600
 H                  4.11266600   -3.11901200   -3.99558600
 H                  3.58710100   -4.71732100   -3.42697500
 C                  2.38360700    0.77909800    2.81342000
 C                  2.23567100    1.24830700    4.23250900
 H                  2.67255100    0.47987200    4.89410200
 H                  1.15908800    1.28745200    4.43545200
 C                  2.90013200    2.61509000    4.50127100
 H                  2.60124500    3.32104400    3.71012800
 H                  2.47056300    3.00557400    5.43675400
 C                  4.42629400    2.57687600    4.63376900
 H                  4.69212400    1.93304400    5.49198400
 H                  4.78344900    3.58853800    4.88597700
 C                  5.17581200    2.08037200    3.39290400
 H                  5.00939700    2.75055100    2.53399600
 H                  6.26001100    2.09645900    3.59167700
 C                  4.82925000    0.66454100    2.96652300
 H                  4.81638300   -0.04077000    3.81296000
 H                  5.52807100    0.28881100    2.20909000
 N                 -2.37092200    1.54971800   -0.16828200
 N                 -2.55961800   -1.01728700    0.67432900
 N                  2.55977200    1.01750700   -0.67384700
 N                  2.37069600   -1.54984000    0.16762400
 O                 -1.38654100   -0.59606500   -2.09421500
 O                 -3.55323100   -0.58002500   -2.28119000
 O                  1.38713600    0.59545200    2.09469900
 O                  3.55382800    0.57965100    2.28133600
 Al                -1.24780600    0.01935100   -0.20606300
 Al                 1.24789300   -0.01925000    0.20635700
192
C'
 C                 -5.78342400    1.31843400    2.26797400
 C                 -5.18657100    0.51750500    1.30868100
 C                 -6.01244200   -0.42851700    0.62578300
 C                 -7.37765400   -0.60203600    0.85814100
 C                 -7.96762500    0.24311100    1.85308600
 C                 -7.18145500    1.16518600    2.52409300
 H                 -5.20781400    2.05232800    2.83456600
 C                 -5.24639700   -1.18005600   -0.31851400
 C                 -8.03394800   -1.60845600    0.07752200
 H                 -9.03375200    0.15473000    2.07943900
 H                 -7.64026400    1.80309300    3.28480500
 C                 -7.30689400   -2.34512700   -0.84233900
 C                 -5.90612900   -2.14871800   -1.05648700
 H                 -9.10356700   -1.79101100    0.21293900
 H                 -7.81574300   -3.11297500   -1.43192000
 H                 -5.38209200   -2.76359700   -1.78992900
 C                 -3.87287000   -0.67194400   -0.20021700
 C                 -3.83551600    0.32242200    0.76550800
 N                 -2.68142100   -1.00901700   -0.84925600
 N                 -2.60629000    0.93602400    1.02222700
 Al                -1.38721900    0.21755900   -0.23514200
 Al                 1.07203700   -0.17716900    0.28428600
 N                  2.44793500    0.78757900   -0.57696400
 N                  2.22216900   -1.66466400    0.59342500
 C                  3.61032300    0.04441800   -0.36471600
 C                  3.49303400   -1.21432400    0.21171600
 C                  5.02399300    0.32380200   -0.63915800
 C                  4.83181200   -1.81848100    0.31235200
 C                  5.73151500   -0.84360700   -0.21856300
 C                  5.75785400    1.36598800   -1.18034600
 C                  5.36722900   -3.01929800    0.74700500
 C                  7.11382900   -1.01132600   -0.32231800
 C                  7.17686000    1.22490700   -1.29040400
 H                  5.27717400    2.28104900   -1.53107100
 C                  6.77984100   -3.21905000    0.65220400
 H                  4.73619300   -3.81239600    1.15094900
 C                  7.63909100   -2.26068500    0.14074000
 C                  7.84798800    0.08363800   -0.88284300
 H                  7.74699600    2.05384400   -1.71892900
 H                  7.19009900   -4.17180300    0.99824400
 H                  8.71403800   -2.45307700    0.08600900
 H                  8.93411000    0.01316500   -0.98737100
 C                  4.80957600    3.32201000    4.32054400
 C                  4.83594700    2.27348100    3.39774400
 C                  3.64296800    1.68909200    2.96003100
 C                  2.41109500    2.14608000    3.44886500
 C                  2.38925600    3.19844200    4.37702300
 C                  3.58116000    3.78578100    4.80731200
 H                  5.74198100    3.78098300    4.65830400
 H                  5.78629900    1.90948800    3.00020000
 H                  3.68551900    0.89604800    2.21084300
 H                  1.43031300    3.55798400    4.76237700
 H                  3.55206000    4.60629200    5.52875500
 C                  1.09570600    1.56346900    2.99136900
 H                  0.54492400    2.25296200    2.33693700
 H                  0.43514900    1.35870000    3.84673300
 O                  1.25739100    0.35661700    2.22625600
 H                  1.81704100   -0.29783300    2.67874600
 C                 -2.19988900    4.58195700   -4.62948000
 C                 -2.03399600    3.22865100   -5.32862200
 C                 -0.79034900    2.44955500   -4.92549200
 C                 -2.28800200    4.50394400   -3.10268700
 C                 -1.04711500    3.86723800   -2.43830700
 C                 -1.05993100    2.36798500   -2.50904000
 H                 -1.34657500    5.22896100   -4.90230200
 H                 -2.91471000    2.58682800   -5.15591800
 H                  0.10923400    3.08010900   -4.86677400
 H                 -3.19313400    3.95450700   -2.79270900
 H                 -0.98988100    4.13462500   -1.37965700
 H                 -3.10280000    5.07939300   -5.01850600
 H                 -1.97443800    3.38740100   -6.41797900
 H                 -0.58837400    1.63198100   -5.62613700
 H                 -2.39293600    5.52095300   -2.69413800
 H                 -0.12438700    4.23124900   -2.91562700
 O                 -1.21657800    1.67527300   -1.49839600
 O                 -0.94758700    1.75465800   -3.65831600
 C                 -2.63643100   -2.27478700   -1.50340100
 C                 -2.70768200   -3.46880700   -0.73658800
 C                 -2.59126800   -2.33929400   -2.92023300
 C                 -2.73626600   -4.70091600   -1.40520700
 C                 -2.62812500   -3.59414800   -3.54406900
 C                 -2.70360200   -4.76911800   -2.79693300
 H                 -2.78260100   -5.62645600   -0.82825200
 H                 -2.60000800   -3.66085300   -4.63273800
 H                 -2.72813700   -5.73917600   -3.30042700
 C                  2.47800100    1.81453800   -1.56129100
 C                  2.60098300    1.48461000   -2.93910500
 C                  2.43548600    3.17810100   -1.17018300
 C                  2.62242100    2.51800400   -3.88665300
 C                  2.46355700    4.17933100   -2.15216900
 C                  2.55023800    3.85939100   -3.50653600
 H                  2.71065100    2.26634300   -4.94659700
 H                  2.43478600    5.22833600   -1.84537900
 H                  2.57842600    4.64987900   -4.26155500
 C                  2.07250000   -3.07959600    0.74211500
 C                  2.01233300   -3.90248700   -0.41003300
 C                  2.02904100   -3.66680500    2.03627500
 C                  1.98221100   -5.29622400   -0.25160800
 C                  2.00196300   -5.06332200    2.14427300
 C                  1.99492200   -5.87867200    1.01163500
 H                  1.94864100   -5.93540500   -1.13701800
 H                  1.98143300   -5.53295800    3.12802300
 H                  1.98083300   -6.96645100    1.11887400
 C                 -2.45112200    1.63796700    2.24839500
 C                 -2.32026400    0.91704300    3.46754900
 C                 -2.45795300    3.06098000    2.25917900
 C                 -2.23551500    1.63186600    4.67214900
 C                 -2.34603800    3.72907500    3.48741100
 C                 -2.24655200    3.02483300    4.68879800
 H                 -2.15298600    1.08802300    5.61586900
 H                 -2.35313600    4.81937600    3.51696400
 H                 -2.17782200    3.56490600    5.63689200
 C                 -2.56411500   -1.05654500   -3.74024100
 C                 -3.96343900   -0.42011100   -3.81759400
 C                 -1.97414300   -1.22553600   -5.14450000
 H                 -1.92095400   -0.34912200   -3.20332800
 H                 -4.37404600   -0.22842000   -2.81740400
 H                 -3.92641600    0.53818400   -4.36367800
 H                 -4.66421600   -1.08469000   -4.34999000
 H                 -0.98219500   -1.70138400   -5.11723600
 H                 -2.62494000   -1.83026600   -5.79688700
 H                 -1.86564500   -0.24222900   -5.62764200
 C                 -2.71171100   -3.43070700    0.78874100
 C                 -1.27470900   -3.52047800    1.32319300
 C                 -3.60982200   -4.49889100    1.42683500
 H                 -3.11688700   -2.45865500    1.09839200
 H                 -0.66286800   -2.68904600    0.94692200
 H                 -1.25553700   -3.47812600    2.42333000
 H                 -0.77907500   -4.45224700    1.00897200
 H                 -4.62772900   -4.46372500    1.00822500
 H                 -3.21349500   -5.51763200    1.28566700
 H                 -3.68287000   -4.32885500    2.51288700
 C                  2.43141800    3.56778700    0.29720300
 C                  1.14245300    4.29140100    0.69930100
 C                  3.67732600    4.37922700    0.68303600
 H                  2.47503300    2.62937100    0.85741500
 H                  0.26061200    3.66440400    0.50164000
 H                  1.14967700    4.53557800    1.77404800
 H                  1.01177000    5.23589700    0.14604900
 H                  4.59704600    3.83506900    0.41884800
 H                  3.70000900    5.35784700    0.17514400
 H                  3.69459100    4.55703600    1.76972500
 C                  2.73333200    0.04266600   -3.41510500
 C                  4.01099400   -0.16624000   -4.24473200
 C                  1.48298900   -0.41909100   -4.17712500
 H                  2.82564500   -0.59369100   -2.52784800
 H                  4.90114800    0.15581000   -3.68371500
 H                  4.13526200   -1.23124800   -4.49460800
 H                  3.98134700    0.39457300   -5.19356500
 H                  0.58106000   -0.33609600   -3.55407800
 H                  1.32070000    0.18188000   -5.08726200
 H                  1.58668200   -1.46930200   -4.48947900
 C                  1.97343800   -3.32334400   -1.81789800
 C                  0.77169800   -3.85236500   -2.61364400
 C                  3.29537400   -3.56257900   -2.56484600
 H                  1.83905800   -2.23712000   -1.72243100
 H                 -0.17134000   -3.67707000   -2.07903900
 H                  0.70087300   -3.34750000   -3.58919000
 H                  0.84900500   -4.93362600   -2.81097800
 H                  4.14470500   -3.10746200   -2.03471700
 H                  3.49811900   -4.64148700   -2.66946400
 H                  3.25068500   -3.13234000   -3.57772000
 C                  1.98318300   -2.79714900    3.28953100
 C                  3.33660900   -2.13468200    3.61128400
 C                  1.45690400   -3.51892100    4.53618700
 H                  1.24749300   -2.00770700    3.06553500
 H                  3.74173600   -1.57207300    2.76102700
 H                  3.24435500   -1.45025200    4.47160800
 H                  4.08307900   -2.90122600    3.87353900
 H                  0.50093300   -4.02830700    4.34280300
 H                  2.17415500   -4.27022800    4.90398100
 H                  1.29734600   -2.79470900    5.34991200
 C                 -2.26332600   -0.60747100    3.49745900
 C                 -3.61295200   -1.23704300    3.88565900
 C                 -1.16222200   -1.14064200    4.42517700
 H                 -2.02311100   -0.93997900    2.47725500
 H                 -4.41272000   -0.95047100    3.19259000
 H                 -3.53632600   -2.33628900    3.88202600
 H                 -3.91145300   -0.92175900    4.89969300
 H                 -0.18154000   -0.70738000    4.18548700
 H                 -1.37471700   -0.93214200    5.48569800
 H                 -1.07859900   -2.23152000    4.32345200
 C                 -2.62051700    3.84520000    0.95820900
 C                 -2.16757100    5.30836900    1.05124800
 C                 -4.06235900    3.79575300    0.41902800
 H                 -1.99180100    3.33264600    0.21647600
 H                 -1.17107300    5.41470400    1.50101900
 H                 -2.13719900    5.75928200    0.04593300
 H                 -2.87243100    5.91056600    1.64735700
 H                 -4.38193500    2.77206100    0.19518700
 H                 -4.76734300    4.22020800    1.15221500
 H                 -4.14281200    4.38993300   -0.50658000
192
C'-D'
 C                 -5.75112000   -0.07966400    2.69819200
 C                 -5.18407100   -0.24180500    1.44554200
 C                 -6.02885300   -0.69757400    0.38672600
 C                 -7.38660000   -0.98904500    0.52529000
 C                 -7.94669400   -0.80785000    1.83155600
 C                 -7.14129200   -0.36903000    2.86953700
 H                 -5.16016600    0.25754800    3.55158700
 C                 -5.28903600   -0.83093200   -0.82896500
 C                 -8.06426800   -1.44173900   -0.65333400
 H                 -9.00561900   -1.01946000    2.00365000
 H                 -7.57760200   -0.23770600    3.86373800
 C                 -7.36295900   -1.57155600   -1.84059200
 C                 -5.96863000   -1.27416000   -1.95108000
 H                 -9.12941500   -1.68497700   -0.60921600
 H                 -7.88807100   -1.92197800   -2.73363000
 H                 -5.46069200   -1.41237000   -2.90708200
 C                 -3.91009200   -0.45666400   -0.49069600
 C                 -3.85131100   -0.09216200    0.84655700
 N                 -2.73058300   -0.41072400   -1.24310500
 N                 -2.62157000    0.32806300    1.35482000
 Al                -1.42881000    0.34100800   -0.11688600
 Al                 1.04140600   -0.19144300    0.11385600
 N                  2.42931300    0.97271700   -0.40975600
 N                  2.31763700   -1.75078400   -0.01045500
 C                  3.60467200    0.24503200   -0.46798500
 C                  3.56316900   -1.13257900   -0.31629600
 C                  5.00367700    0.65715400   -0.70477000
 C                  4.90867300   -1.68266200   -0.49269900
 C                  5.75523400   -0.55285000   -0.72151800
 C                  5.67874900    1.84853100   -0.90692500
 C                  5.49325400   -2.93835000   -0.52568200
 C                  7.13225200   -0.62478400   -0.95037800
 C                  7.08962600    1.80757400   -1.12764500
 H                  5.16055600    2.80856500   -0.90615200
 C                  6.89997800   -3.04059200   -0.75960100
 H                  4.90226500   -3.84493000   -0.38724500
 C                  7.70984300   -1.93563300   -0.96222500
 C                  7.80476500    0.62034200   -1.15484500
 H                  7.61714500    2.75206300   -1.28535400
 H                  7.34682800   -4.03841000   -0.78012100
 H                  8.78206200   -2.05742000   -1.13704500
 H                  8.88354300    0.63110200   -1.33354400
 C                  4.78600400    0.97050800    5.32208200
 C                  4.89861700    0.39186800    4.05463900
 C                  3.76002700   -0.07000800    3.38624100
 C                  2.49545900    0.04536300    3.97791800
 C                  2.38665300    0.63318400    5.24773200
 C                  3.52447100    1.09085300    5.91745200
 H                  5.67588300    1.33417600    5.84200900
 H                  5.87600500    0.30407200    3.57376200
 H                  3.85993800   -0.49764600    2.38766600
 H                  1.39905800    0.73665700    5.70770100
 H                  3.42596800    1.55004800    6.90462100
 C                  1.24505100   -0.46266700    3.29626500
 H                  0.41641100    0.25059000    3.42122700
 H                  0.91438600   -1.40452500    3.76611900
 O                  1.41832100   -0.68729000    1.90773500
 C                 -2.30627500    6.31655900   -1.64066300
 C                 -2.31172600    5.47239500   -2.91951200
 C                 -1.09758000    4.57192800   -3.09589600
 C                 -2.25238300    5.50797000   -0.34128100
 C                 -1.00553200    4.60442900   -0.21763700
 C                 -1.13485000    3.33266700   -1.00371400
 H                 -1.43783700    6.99934200   -1.66949100
 H                 -3.21684000    4.84311300   -2.97230000
 H                 -0.15071300    5.07717300   -2.85203700
 H                 -3.16244800    4.89494200   -0.22717800
 H                 -0.83349100    4.31458000    0.82264000
 H                 -3.20267400    6.95719700   -1.62956000
 H                 -2.34607000    6.14065400   -3.79561400
 H                 -1.02860700    4.19410700   -4.12207000
 H                 -2.24083600    6.20000100    0.51486700
 H                 -0.10556300    5.13922100   -0.55915900
 O                 -1.23836100    2.23834900   -0.43911000
 O                 -1.18401200    3.35270700   -2.30944400
 C                 -2.68198200   -1.22775100   -2.41049500
 C                 -2.65559500   -2.64303200   -2.28788200
 C                 -2.71410300   -0.62434700   -3.69569600
 C                 -2.73691100   -3.42247500   -3.45187000
 C                 -2.77148800   -1.44605200   -4.82925900
 C                 -2.80242600   -2.83657300   -4.71294000
 H                 -2.73579000   -4.51175000   -3.36725000
 H                 -2.80394300   -0.99856200   -5.82370700
 H                 -2.86239800   -3.46112200   -5.60824400
 C                  2.45541200    2.35591200   -0.74118600
 C                  2.45324400    2.76676200   -2.09825900
 C                  2.52847500    3.31816500    0.29795000
 C                  2.45952500    4.14023700   -2.38635700
 C                  2.54040000    4.67993200   -0.03613200
 C                  2.49918200    5.09467500   -1.36842500
 H                  2.45269400    4.46815400   -3.42916800
 H                  2.59165300    5.42738800    0.75946300
 H                  2.51415000    6.16018400   -1.61383500
 C                  2.15171000   -3.07425800   -0.55463700
 C                  2.08448400   -3.25147700   -1.95895500
 C                  2.10496900   -4.19383700    0.31735700
 C                  2.04143500   -4.55582500   -2.47234700
 C                  2.04950000   -5.47595000   -0.24618800
 C                  2.03572400   -5.66271700   -1.62883600
 H                  2.00133000   -4.70355400   -3.55402500
 H                  2.01888700   -6.35110700    0.40366300
 H                  2.00189000   -6.67287300   -2.04486100
 C                 -2.39277200    0.31381700    2.75875700
 C                 -2.33631400   -0.92032500    3.45890900
 C                 -2.21417900    1.53771500    3.46477600
 C                 -2.01223000   -0.91594300    4.82342500
 C                 -1.88334500    1.49014200    4.82709400
 C                 -1.76618300    0.27423700    5.50384400
 H                 -1.94118500   -1.86518700    5.35993800
 H                 -1.72588400    2.41585300    5.38155100
 H                 -1.50155200    0.25966600    6.56448700
 C                 -2.72383400    0.89404400   -3.82707200
 C                 -4.11300100    1.48382200   -3.52441500
 C                 -2.21791900    1.40104700   -5.18247500
 H                 -2.04268600    1.28103500   -3.05887600
 H                 -4.46292400    1.20274000   -2.52290900
 H                 -4.08542900    2.58560500   -3.58155700
 H                 -4.85704500    1.12731200   -4.25609800
 H                 -1.23984000    0.97008100   -5.44253700
 H                 -2.92091200    1.16692800   -5.99856300
 H                 -2.11188000    2.49703100   -5.15927000
 C                 -2.51988200   -3.34448700   -0.93934100
 C                 -1.36266600   -4.35498100   -0.94141100
 C                 -3.82793500   -4.02008500   -0.49485900
 H                 -2.27758500   -2.57448100   -0.19361900
 H                 -0.41304400   -3.88538000   -1.22828500
 H                 -1.22951500   -4.79238900    0.05938100
 H                 -1.54471300   -5.19000500   -1.63622000
 H                 -4.65216500   -3.29917900   -0.41678600
 H                 -4.12741800   -4.80384400   -1.21095600
 H                 -3.69665500   -4.49823300    0.48960300
 C                  2.61135900    2.88066400    1.75222300
 C                  1.26672000    3.08141400    2.46127300
 C                  3.75419900    3.55831900    2.52034000
 H                  2.82126900    1.80533800    1.75135800
 H                  0.45534600    2.54154600    1.94902400
 H                  1.31072300    2.71661300    3.49898200
 H                  0.99453900    4.14900500    2.48679000
 H                  4.71711800    3.40731900    2.00771200
 H                  3.59320300    4.64326200    2.63396400
 H                  3.83729900    3.12330000    3.52806100
 C                  2.48268100    1.75731900   -3.23861100
 C                  3.68638400    1.98218400   -4.16843000
 C                  1.16262400    1.74599500   -4.02182500
 H                  2.60371100    0.76395400   -2.79151300
 H                  4.63099100    1.96443000   -3.60392400
 H                  3.73253200    1.18944900   -4.93212900
 H                  3.62108700    2.94659600   -4.69867500
 H                  0.31085800    1.50244600   -3.37132700
 H                  0.96234400    2.72664700   -4.48425600
 H                  1.19850400    1.00019000   -4.83103900
 C                  2.04093100   -2.07703000   -2.93095800
 C                  0.81192800   -2.13944500   -3.85229500
 C                  3.34145600   -1.96154200   -3.74315300
 H                  1.94639100   -1.15560200   -2.33916600
 H                 -0.12611100   -2.20011600   -3.28281600
 H                  0.76171800   -1.23823100   -4.48229400
 H                  0.84793700   -3.00949700   -4.52688500
 H                  4.21596800   -1.84579000   -3.08716200
 H                  3.49700400   -2.85853900   -4.36509100
 H                  3.30007600   -1.09109800   -4.41696300
 C                  2.13652700   -4.02148000    1.83610500
 C                  3.55649300   -3.73195300    2.35563000
 C                  1.52243700   -5.19623600    2.60861000
 H                  1.51069300   -3.14974400    2.07049700
 H                  4.00590900   -2.85821400    1.86720400
 H                  3.54229400   -3.54347500    3.44151500
 H                  4.21796800   -4.59299100    2.16614400
 H                  0.52344600   -5.45665000    2.22868500
 H                  2.15432100   -6.09749500    2.55652400
 H                  1.42238600   -4.93135500    3.67295400
 C                 -2.58668700   -2.25333200    2.76138500
 C                 -3.63359900   -3.10856800    3.49191100
 C                 -1.27622300   -3.02340300    2.55678400
 H                 -2.99658100   -2.04277300    1.76674900
 H                 -4.57376700   -2.55166100    3.62290900
 H                 -3.85659900   -4.01536400    2.90698900
 H                 -3.28384600   -3.43491200    4.48512000
 H                 -0.57199500   -2.44052700    1.94663900
 H                 -0.78641700   -3.25344600    3.51719100
 H                 -1.45955300   -3.97645300    2.03993100
 C                 -2.45250100    2.87333200    2.76399700
 C                 -1.92046000    4.09226400    3.52738200
 C                 -3.94756000    3.08094000    2.45400600
 H                 -1.93387000    2.81805000    1.79830900
 H                 -0.87098500    3.97585900    3.82863700
 H                 -1.99520500    4.99398600    2.89792400
 H                 -2.51259200    4.28893800    4.43605000
 H                 -4.34611600    2.28820900    1.81057600
 H                 -4.53823300    3.09414800    3.38479200
 H                 -4.10373000    4.04634100    1.94377400
 H                  2.01418500   -1.47442300    1.39407900
192
D'
 C                 -5.79471100   -0.46983700   -2.53821500
 C                 -5.19201400   -0.00314600   -1.38193900
 C                 -5.99772800    0.74047800   -0.46548700
 C                 -7.34946100    1.03123100   -0.65438100
 C                 -7.94655400    0.53288900   -1.85761900
 C                 -7.17986300   -0.19037700   -2.75624900
 H                 -5.23281700   -1.03402400   -3.28452400
 C                 -5.22509300    1.15896800    0.66289800
 C                 -7.98540400    1.80198400    0.37295000
 H                 -9.00283000    0.72842600   -2.06215400
 H                 -7.64382000   -0.56261000   -3.67401300
 C                 -7.25187400    2.21601300    1.47196900
 C                 -5.86471200    1.90721300    1.63754300
 H                 -9.04381400    2.06153200    0.28261400
 H                 -7.74457200    2.80701800    2.24928100
 H                 -5.33351200    2.26829000    2.51950400
 C                 -3.86962800    0.64859600    0.41935300
 C                 -3.84869600   -0.03424600   -0.78730800
 N                 -2.67457400    0.75183200    1.14148300
 N                 -2.63856400   -0.59058500   -1.20020900
 Al                -1.39649300   -0.26648700    0.19453900
 Al                 1.05187200    0.09436600   -0.42522900
 N                  2.45059500   -0.86927200    0.47523800
 N                  2.41368500    1.75423400   -0.47184900
 C                  3.61685000   -0.15972300    0.43577900
 C                  3.64627600    1.15716100    0.00048300
 C                  5.00317200   -0.54301900    0.81313900
 C                  4.99130300    1.70199300    0.11103700
 C                  5.78803900    0.62339900    0.61116300
 C                  5.63052400   -1.69035100    1.26858400
 C                  5.62013100    2.91995800   -0.09596900
 C                  7.16105300    0.70605100    0.87323800
 C                  7.03107000   -1.64164600    1.53012200
 H                  5.08310200   -2.61848900    1.43578200
 C                  7.01965400    3.03103400    0.17256300
 H                  5.07011500    3.79240900   -0.45153300
 C                  7.78412900    1.97349900    0.63538300
 C                  7.78065800   -0.48754100    1.34984900
 H                  7.52440200   -2.54765100    1.89117100
 H                  7.49963700    3.99835600    0.00075900
 H                  8.85342000    2.09958200    0.82297700
 H                  8.85174200   -0.49001100    1.57061100
 C                  4.62732000   -2.25376800   -5.15704800
 C                  4.73377500   -1.32639400   -4.11646700
 C                  3.58270000   -0.80607300   -3.51465800
 C                  2.31047400   -1.20543500   -3.94339800
 C                  2.21114900   -2.13905700   -4.98765800
 C                  3.35879000   -2.65917600   -5.59157000
 H                  5.52609400   -2.66383900   -5.62492500
 H                  5.71818300   -1.00856800   -3.76248600
 H                  3.66705100   -0.09794200   -2.68912500
 H                  1.22019300   -2.45994500   -5.32505600
 H                  3.26501100   -3.38777000   -6.40159900
 C                  1.04712900   -0.64892900   -3.31284900
 H                  0.34859800   -1.48150600   -3.10816700
 H                  0.53050900   -0.03270600   -4.07262400
 O                  1.29494700    0.11805300   -2.17755100
 C                 -2.43800500   -5.68047800    3.09101900
 C                 -2.25715700   -4.60240000    4.16473500
 C                 -0.96652300   -3.80241600    4.05449900
 C                 -2.45319300   -5.15449700    1.65295200
 C                 -1.16584800   -4.40143500    1.25087600
 C                 -1.14202400   -2.99200500    1.76823700
 H                 -1.62185800   -6.41891100    3.18998600
 H                 -3.10401900   -3.89503800    4.15911500
 H                 -0.09199400   -4.43466900    3.83982900
 H                 -3.32599000   -4.50065700    1.48726900
 H                 -1.07184600   -4.33983200    0.16344700
 H                 -3.37473700   -6.22730300    3.28499100
 H                 -2.25673700   -5.07787100    5.15937900
 H                 -0.76561000   -3.24345200    4.97548400
 H                 -2.56916500   -6.00117800    0.95897500
 H                 -0.27557200   -4.92945800    1.62518700
 O                 -1.25675700   -2.02489900    1.01000600
 O                 -1.03660500   -2.75430800    3.05089500
 C                 -2.60845500    1.77805900    2.12798200
 C                 -2.64169700    3.14138300    1.73071000
 C                 -2.56915900    1.43898600    3.50549400
 C                 -2.63415500    4.13641100    2.71772000
 C                 -2.55398500    2.46906800    4.45658000
 C                 -2.59023300    3.80938700    4.07159200
 H                 -2.65049000    5.18734600    2.42184100
 H                 -2.52356700    2.22628700    5.51973400
 H                 -2.58040100    4.59828500    4.82842900
 C                  2.42822600   -2.13552700    1.13091400
 C                  2.48267800   -2.21140000    2.54825500
 C                  2.38948200   -3.32206600    0.35597800
 C                  2.45695500   -3.47390600    3.15708600
 C                  2.37021600   -4.56301700    1.01037500
 C                  2.40037600   -4.64603700    2.40165100
 H                  2.49397500   -3.54171700    4.24697100
 H                  2.34703200   -5.47982500    0.41592300
 H                  2.39356600   -5.62090400    2.89691800
 C                  2.24896300    3.17001100   -0.17532800
 C                  2.14152900    3.59921400    1.16037200
 C                  2.24323100    4.08239400   -1.25919200
 C                  2.09634400    4.98051600    1.40251300
 C                  2.18201000    5.44952800   -0.96139600
 C                  2.12711800    5.90007800    0.35844100
 H                  2.02578200    5.33868100    2.43154500
 H                  2.17964600    6.17934700   -1.77136400
 H                  2.09120300    6.97179400    0.56910200
 C                 -2.48356100   -0.90952700   -2.57834300
 C                 -2.36075500    0.13050000   -3.53675400
 C                 -2.48172800   -2.26825700   -2.99782800
 C                 -2.24381500   -0.20672000   -4.89328900
 C                 -2.33902000   -2.55584800   -4.36271200
 C                 -2.22647100   -1.53550700   -5.30938600
 H                 -2.15559300    0.58874800   -5.63773800
 H                 -2.33209500   -3.59238000   -4.70286100
 H                 -2.12742500   -1.78009000   -6.37034900
 C                 -2.59946400   -0.02310600    3.93219200
 C                 -4.01276700   -0.61615500    3.78569700
 C                 -2.06668000   -0.27195900    5.34748300
 H                 -1.95058200   -0.57126500    3.23813300
 H                 -4.38761400   -0.51883100    2.75864600
 H                 -4.01246800   -1.68718000    4.05115100
 H                 -4.72197000   -0.10333800    4.45650600
 H                 -1.07097000    0.17080400    5.49697000
 H                 -2.73990600    0.13738500    6.11840600
 H                 -1.98793500   -1.35409200    5.53540600
 C                 -2.61557600    3.53534400    0.25814500
 C                 -1.16678200    3.77899100   -0.19119400
 C                 -3.51344000    4.73374200   -0.07720500
 H                 -3.00290200    2.68866600   -0.32180200
 H                 -0.55189600    2.87839000   -0.04884700
 H                 -1.12064600    4.04973600   -1.25625800
 H                 -0.69479400    4.58848200    0.38719100
 H                 -4.54305700    4.56881700    0.27677500
 H                 -3.14240700    5.67295600    0.36517700
 H                 -3.54835400    4.88107400   -1.16881600
 C                  2.41849600   -3.27966600   -1.16364800
 C                  1.11823000   -3.82781800   -1.76356500
 C                  3.65203000   -3.99234100   -1.73908700
 H                  2.49969900   -2.22871900   -1.46079400
 H                  0.24968100   -3.24374800   -1.42385800
 H                  1.14700900   -3.77736100   -2.86241600
 H                  0.95015000   -4.87951800   -1.47906500
 H                  4.57880700   -3.58090000   -1.30957700
 H                  3.63198200   -5.07585700   -1.53450500
 H                  3.69430300   -3.84927600   -2.82968300
 C                  2.58585100   -0.96838900    3.42368400
 C                  3.75273000   -1.05123000    4.42108900
 C                  1.26016900   -0.68549600    4.14348700
 H                  2.78773500   -0.11407700    2.76829800
 H                  4.70321300   -1.25804500    3.90718600
 H                  3.86032900   -0.09661300    4.95988700
 H                  3.59365500   -1.83622200    5.17837500
 H                  0.44015300   -0.52441800    3.43006500
 H                  0.97435000   -1.52570100    4.79613700
 H                  1.34665900    0.21110500    4.77611000
 C                  2.05354400    2.63604000    2.33806500
 C                  0.81407900    2.92078800    3.19968900
 C                  3.33742800    2.65879000    3.18448900
 H                  1.93844700    1.61701500    1.94088200
 H                 -0.10661400    2.90683200    2.60252700
 H                  0.71023800    2.16241000    3.98821900
 H                  0.87616200    3.90186500    3.69556100
 H                  4.21849700    2.37454200    2.59205700
 H                  3.51342300    3.66505900    3.59821900
 H                  3.25161900    1.96113600    4.03162800
 C                  2.31435000    3.60002700   -2.71082800
 C                  3.75235200    3.23961100   -3.13437600
 C                  1.70264800    4.58684700   -3.71366800
 H                  1.70749400    2.68298000   -2.78725200
 H                  4.20282000    2.46832900   -2.49392100
 H                  3.76281200    2.85970200   -4.16819400
 H                  4.40236800    4.12811000   -3.08573800
 H                  0.69998400    4.91491400   -3.40248300
 H                  2.33178000    5.48247200   -3.84078000
 H                  1.61323400    4.10714300   -4.70038300
 C                 -2.34582500    1.60240200   -3.13673500
 C                 -3.59574900    2.34818600   -3.63346900
 C                 -1.06433800    2.30897200   -3.60206000
 H                 -2.35354200    1.64535700   -2.04025500
 H                 -4.51806700    1.87184000   -3.27337100
 H                 -3.58665200    3.39044000   -3.27378000
 H                 -3.63166800    2.37417500   -4.73563400
 H                 -0.17974200    1.84628700   -3.14400700
 H                 -0.94621300    2.27544300   -4.69712900
 H                 -1.08617200    3.36959200   -3.31100900
 C                 -2.68645400   -3.38898200   -1.98241200
 C                 -2.19884500   -4.76327000   -2.45961500
 C                 -4.15808200   -3.49285800   -1.53950100
 H                 -2.10918800   -3.10379200   -1.09208400
 H                 -1.17464700   -4.73095600   -2.85587200
 H                 -2.21942500   -5.48462700   -1.62625100
 H                 -2.85221200   -5.17196800   -3.24744800
 H                 -4.50994900   -2.56555100   -1.07277800
 H                 -4.80890200   -3.70601700   -2.40336300
 H                 -4.28474400   -4.31285200   -0.81279500
 H                  2.37901000    1.64516900   -1.49200000
