     239
 i =        1, E =     -2121.0042949725
  C         2.4796793515        2.5834587927        4.0000000000
  C         3.6216715028        3.4951690594        4.0000000000
  C         1.1229594889        3.1055329729        4.0000000000
  C         0.8892671462        4.5380170955        4.0000000000
  C         2.0123711126        5.4604596966        4.0000000000
  C         3.3721894636        4.9363635099        4.0000000000
  C         4.9484499929        3.0567942774        4.0000000000
  C         6.0907192651        3.9047587807        4.0000000000
  C         5.8294973951        5.3664466194        4.0000000000
  C         4.4705431130        5.7867889229        4.0000000000
  C        -0.3890408661        5.0715326951        4.0000000000
  C         2.6243249854        1.1997636109        4.0000000000
  C         1.5650160336        0.2441690991        4.0000000000
  C         0.1903795935        0.7917464840        4.0000000000
  C         0.0664081334        2.2051714306        4.0000000000
  C        -0.7072398528        6.4534704393        4.0000000000
  C         0.4321517834        7.4002098019        4.0000000000
  C         1.7359720625        6.8228675163        4.0000000000
  C        -9.3061506622       -3.7964412555        4.0000000000
  C       -10.5843458323       -3.2492742589        4.0000000000
  C       -10.8933988991       -1.8585559539        4.0000000000
  C        -9.7369872050       -0.9327651196        4.0000000000
  C        -8.4439729561       -1.5190350020        4.0000000000
  C        -8.1788391611       -2.8767736178        4.0000000000
  C        -6.8176909075       -3.3823056343        4.0000000000
  C        -5.7268738835       -2.5279432595        4.0000000000
  C        -4.3657485923       -2.9318646357        4.0000000000
  C        -4.1028885284       -4.3879858379        4.0000000000
  C        -5.2479099729       -5.2375055771        4.0000000000
  C        -6.5706257498       -4.8129230671        4.0000000000
  C        -7.6965468253       -5.7371906203        4.0000000000
  C        -7.5005066102       -7.1184244298        4.0000000000
  C        -8.5487767418       -8.0625442984        4.0000000000
  C        -9.9398119146       -7.5460460811        4.0000000000
  C       -10.1157968026       -6.1478534870        4.0000000000
  C        -9.0622710653       -5.2297142340        4.0000000000
  C       -11.3779034233        9.1411998896        4.0000000000
  C       -12.6689860382        9.6711748221        4.0000000000
  C       -12.9517153351       11.0534066506        4.0000000000
  C       -11.8018903161       11.9902075592        4.0000000000
  C       -10.5075560612       11.4334037863        4.0000000000
  C       -10.2500292768       10.0609946584        4.0000000000
  C        -8.8891716173        9.5474962541        4.0000000000
  C        -7.7765858213       10.3792754450        4.0000000000
  C        -6.4182354015        9.9509368695        4.0000000000
  C        -6.1919323053        8.4868541509        4.0000000000
  C        -7.3480831860        7.6606754809        4.0000000000
  C        -8.6591088553        8.1110582240        4.0000000000
  C        -9.7848224084        7.1935443375        4.0000000000
  C        -9.6042611193        5.8192009808        4.0000000000
  C       -10.6438812132        4.8518764883        4.0000000000
  C       -12.0340826726        5.3616000871        4.0000000000
  C       -12.1833792711        6.7792746330        4.0000000000
  C       -11.1465410085        7.7034101653        4.0000000000
  C        15.8086064343        5.4799224066        4.0000000000
  C        14.6681822865        4.5680972088        4.0000000000
  C        17.1642186003        4.9587844269        4.0000000000
  C        17.3972566454        3.5261286878        4.0000000000
  C        16.2742816223        2.6022857090        4.0000000000
  C        14.9144152956        3.1265125068        4.0000000000
  C        13.3434431106        5.0099352523        4.0000000000
  C        12.2061738761        4.1573930345        4.0000000000
  C        12.4578944443        2.6956093586        4.0000000000
  C        13.8161188521        2.2759269745        4.0000000000
  C        18.6749835265        2.9933605144        4.0000000000
  C        15.6626176404        6.8639318647        4.0000000000
  C        16.7222141968        7.8174683091        4.0000000000
  C        18.0975183242        7.2742749825        4.0000000000
  C        18.2202551299        5.8612012066        4.0000000000
  C        18.9930418273        1.6109120500        4.0000000000
  C        17.8545957045        0.6624548169        4.0000000000
  C        16.5504906843        1.2404144638        4.0000000000
  C        27.5920128480       11.8590192144        4.0000000000
  C        28.8706376251       11.3120642634        4.0000000000
  C        29.1785665396        9.9210880545        4.0000000000
  C        28.0248541403        8.9938583264        4.0000000000
  C        26.7329333036        9.5813534834        4.0000000000
  C        26.4654318999       10.9397321221        4.0000000000
  C        25.1040291645       11.4450028770        4.0000000000
  C        24.0105331650       10.5916706761        4.0000000000
  C        22.6493950497       10.9942570223        4.0000000000
  C        22.3909110968       12.4506638440        4.0000000000
  C        23.5346539399       13.3005104423        4.0000000000
  C        24.8581935961       12.8755472769        4.0000000000
  C        25.9833393262       13.8004326184        4.0000000000
  C        25.7873785923       15.1819327049        4.0000000000
  C        26.8350871817       16.1262623262        4.0000000000
  C        28.2257851862       15.6095752543        4.0000000000
  C        28.4023995659       14.2110270340        4.0000000000
  C        27.3490413426       13.2931024647        4.0000000000
  C        29.6643727475       -1.0782232606        4.0000000000
  C        30.9554998991       -1.6078953279        4.0000000000
  C        31.2381903947       -2.9903196062        4.0000000000
  C        30.0889287513       -3.9271922960        4.0000000000
  C        28.7948214594       -3.3702781646        4.0000000000
  C        28.5368360388       -1.9978677843        4.0000000000
  C        27.1758550195       -1.4844395415        4.0000000000
  C        26.0635141430       -2.3162503469        4.0000000000
  C        24.7048153484       -1.8878889368        4.0000000000
  C        24.4805528536       -0.4230147968        4.0000000000
  C        25.6363631065        0.4032878499        4.0000000000
  C        26.9471128736       -0.0470732164        4.0000000000
  C        28.0722921029        0.8705884568        4.0000000000
  C        27.8927775979        2.2461803145        4.0000000000
  C        28.9310032232        3.2139935570        4.0000000000
  C        30.3194027306        2.7018399656        4.0000000000
  C        30.4696696238        1.2844640937        4.0000000000
  C        29.4327668663        0.3598817925        4.0000000000
  H         4.3329363973        6.8674516946        4.0000000000
  H         5.1120803129        1.9777432762        4.0000000000
  H         3.6257900062        0.7715215242        4.0000000000
  H        -0.9606965390        2.5701232496        4.0000000000
  H         2.5570066674        7.5393921783        4.0000000000
  H        -1.2478141554        4.4022133127        4.0000000000
  H       -11.4486272682       -3.9121996903        4.0000000000
  H        -7.6193659945       -0.8074829756        4.0000000000
  H        -5.8836568259       -1.4502108650        4.0000000000
  H        -5.0277182430       -6.3040007363        4.0000000000
  H        -6.4900928541       -7.5236767317        4.0000000000
  H       -11.1448943022       -5.7922028497        4.0000000000
  H       -13.5298770562        9.0048219338        4.0000000000
  H        -9.6807675066       12.1415668263        4.0000000000
  H        -7.9166978541       11.4592718444        4.0000000000
  H        -7.1473344109        6.5898875497        4.0000000000
  H        -8.5958593039        5.4070834524        4.0000000000
  H       -13.2137914715        7.1317933475        4.0000000000
  H        -9.3102629587        3.4636411079        4.0000000000
  H        -8.9047229066        0.7996207800        4.0000000000
  H        -5.0951977870        6.9047443853        4.0000000000
  H        -2.5691628475        5.9811391814        4.0000000000
  H        -1.7289943659        0.6538136470        4.0000000000
  H        -3.8524625773       -1.0766787861        4.0000000000
  H       -11.2357474270       13.8962312307        4.0000000000
  H       -14.9342631492       10.8873919981        4.0000000000
  H       -13.9564368280        5.1347028592        4.0000000000
  H       -12.7914318025       -2.2410456642        4.0000000000
  H       -11.8697870297       -8.0298240339        4.0000000000
  H        -7.3997876184       -9.6841291108        4.0000000000
  H        -2.9268616013       -5.9275137114        4.0000000000
  H         2.8428470427       -1.2154030859        4.0000000000
  H         1.1855514044        9.1884208744        4.0000000000
  H        -5.8118988370       11.7897978141        4.0000000000
  H         6.5373546621        7.1639857188        4.0000000000
  H         7.2831980642        2.3734656420        4.0000000000
  H        13.9535489433        1.1957279487        4.0000000000
  H        13.1740996302        6.0877976821        4.0000000000
  H        14.6609909834        7.2919064336        4.0000000000
  H        19.2462365511        5.4935681628        4.0000000000
  H        15.7295830152        0.5238621178        4.0000000000
  H        19.5347032253        3.6613634930        4.0000000000
  H        29.7352241585       11.9750559824        4.0000000000
  H        25.9070042790        8.8713059522        4.0000000000
  H        24.1702692872        9.5143373187        4.0000000000
  H        23.3142211267       14.3671572005        4.0000000000
  H        24.7769069905       15.5870657139        4.0000000000
  H        29.4316068818       13.8554545357        4.0000000000
  H        31.8165379817       -0.9416086197        4.0000000000
  H        27.9677628269       -4.0781580952        4.0000000000
  H        26.2035082546       -3.3962513436        4.0000000000
  H        25.4340733265        1.4737436126        4.0000000000
  H        26.8833768034        2.6560383871        4.0000000000
  H        31.5001265989        0.9316869611        4.0000000000
  H        27.5960824928        4.6022066819        4.0000000000
  H        27.1911442044        7.2605310180        4.0000000000
  H        23.3833891789        1.1574915884        4.0000000000
  H        20.8540632917        2.0814224786        4.0000000000
  H        20.0196818006        7.4101632299        4.0000000000
  H        22.1371226073        9.1367302074        4.0000000000
  H        29.5222626018       -5.8332743413        4.0000000000
  H        33.2212828967       -2.8238815138        4.0000000000
  H        32.2436883799        2.9301673505        4.0000000000
  H        31.0793165130       10.3036483340        4.0000000000
  H        30.1565901186       16.0928138566        4.0000000000
  H        25.6864860423       17.7478272775        4.0000000000
  H        21.2117117211       13.9905284166        4.0000000000
  H        15.4452572835        9.2814033024        4.0000000000
  H        17.1000002060       -1.1241622760        4.0000000000
  H        24.0994944626       -3.7261916828        4.0000000000
  H        11.7464457366        0.9001873232        4.0000000000
  H        10.9841523924        5.6728053540        4.0000000000
  N         7.3374401857        3.3981073637        4.0000000000
  N         6.8905974491        6.1637658438        4.0000000000
  N         0.2657965245        8.7289561906        4.0000000000
  N        -1.9906703947        6.8307571506        4.0000000000
  N        -0.9117024532        0.0296826248        4.0000000000
  N         1.8250435675       -1.0705002863        4.0000000000
  N       -12.1612816344       -1.4287877404        4.0000000000
  N        -9.8515511536        0.3977273318        4.0000000000
  N        -3.4028754024       -2.0020006578        4.0000000000
  N        -2.8661627784       -4.9012739913        4.0000000000
  N        -8.3809743985       -9.3954999194        4.0000000000
  N       -10.9369171024       -8.4490801965        4.0000000000
  N       -14.1860830206       11.5847740930        4.0000000000
  N       -12.0721145116       13.3077977335        4.0000000000
  N        -5.4176460853       10.8403720332        4.0000000000
  N        -4.9778921180        7.9263366068        4.0000000000
  N       -10.3351637946        3.5506897922        4.0000000000
  N       -13.1049996359        4.5583368211        4.0000000000
  N        10.9564543236        4.6466173290        4.0000000000
  N        11.3945656715        1.9008458233        4.0000000000
  N        18.0203215464       -0.6654827161        4.0000000000
  N        20.2744026203        1.2320543265        4.0000000000
  N        19.2037824004        8.0348034282        4.0000000000
  N        16.4622016366        9.1332556273        4.0000000000
  N        30.4478472926        9.4927265875        4.0000000000
  N        28.1378387330        7.6612755879        4.0000000000
  N        21.6863734364       10.0606743551        4.0000000000
  N        21.1529119754       12.9644936156        4.0000000000
  N        26.6677093650       17.4595798909        4.0000000000
  N        29.2235720122       16.5118427386        4.0000000000
  N        32.4730079939       -3.5210360001        4.0000000000
  N        30.3588387425       -5.2452590021        4.0000000000
  N        23.7044649476       -2.7769322851        4.0000000000
  N        23.2666256358        0.1355719745        4.0000000000
  N        28.6205978361        4.5170460747        4.0000000000
  N        31.3915529873        3.5051573952        4.0000000000
 Cu       -11.1742085075        1.8096609784        4.0000000000
 Cu        -3.1022050018        8.4119825825        4.0000000000
 Cu        -1.4767261695       -1.8201988665        4.0000000000
 Cu       -13.9815876890       13.4949115204        4.0000000000
 Cu       -13.3465438657        2.6439760759        4.0000000000
 Cu       -12.9690139820        0.3229299836        4.0000000000
 Cu       -10.1293512499      -10.1907714203        4.0000000000
 Cu        -1.1080573639       -4.1211204884        4.0000000000
 Cu         0.7045847959       -2.6361134381        4.0000000000
 Cu        -1.2913632186        9.8724850011        4.0000000000
 Cu        -3.4919400169       10.6988042395        4.0000000000
 Cu         9.1497743893        3.9778694593        4.0000000000
 Cu        29.4661821007        6.2552495958        4.0000000000
 Cu        21.3908916315       -0.3455722423        4.0000000000
 Cu        19.7574493370        9.8892413700        4.0000000000
 Cu        32.2682239155       -5.4306527283        4.0000000000
 Cu        31.6288483341        5.4201869218        4.0000000000
 Cu        31.2525603268        7.7402673061        4.0000000000
 Cu        28.4164016928       18.2537787365        4.0000000000
 Cu        19.3972812714       12.1783035898        4.0000000000
 Cu        17.5858020909       10.6951526810        4.0000000000
 Cu        19.5766739514       -1.8103407535        4.0000000000
 Cu        21.7782616324       -2.6385078241        4.0000000000
