     241
 i =      121, E =     -2217.1514753174
  C         2.5223566083        2.7681365306        4.0000000000
  C         3.6292711948        3.7166878899        4.0000000000
  C         1.1579906190        3.2639626942        4.0000000000
  C         0.9010452996        4.6928921216        4.0000000000
  C         2.0055668747        5.6347123341        4.0000000000
  C         3.3749625906        5.1344897988        4.0000000000
  C         4.9590432257        3.2978889049        4.0000000000
  C         6.0863936486        4.1467442120        4.0000000000
  C         5.8273219796        5.5816052546        4.0000000000
  C         4.4755664496        5.9916155369        4.0000000000
  C        -0.3897897463        5.2077854805        4.0000000000
  C         2.7138126686        1.3927973114        4.0000000000
  C         1.6779894149        0.4138010627        4.0000000000
  C         0.2903741955        0.9223387429        4.0000000000
  C         0.1285024878        2.3302064296        4.0000000000
  C        -0.7308938801        6.5830411897        4.0000000000
  C         0.3908801357        7.5444992105        4.0000000000
  C         1.7039185832        6.9903047486        4.0000000000
  C        -9.0818871557       -3.7483106858        4.0000000000
  C       -10.3671285425       -3.2180201113        4.0000000000
  C       -10.6909477404       -1.8313396305        4.0000000000
  C        -9.5560449126       -0.8880720582        4.0000000000
  C        -8.2578938197       -1.4587636733        4.0000000000
  C        -7.9705224036       -2.8177347976        4.0000000000
  C        -6.6051004066       -3.3134805640        4.0000000000
  C        -5.5163042756       -2.4548505525        4.0000000000
  C        -4.1528613104       -2.8487536997        4.0000000000
  C        -3.8817864299       -4.3035116386        4.0000000000
  C        -5.0171214821       -5.1605863617        4.0000000000
  C        -6.3448515664       -4.7446568496        4.0000000000
  C        -7.4578252607       -5.6798151583        4.0000000000
  C        -7.2500862671       -7.0619819401        4.0000000000
  C        -8.2885603558       -8.0135075142        4.0000000000
  C        -9.6812558280       -7.5062263656        4.0000000000
  C        -9.8691460113       -6.1079303331        4.0000000000
  C        -8.8251591254       -5.1829528310        4.0000000000
  C       -11.4081035831        9.1315705806        4.0000000000
  C       -12.7075116416        9.6371441401        4.0000000000
  C       -13.0157962796       11.0147916875        4.0000000000
  C       -11.8854186917       11.9734625095        4.0000000000
  C       -10.5821653582       11.4408297097        4.0000000000
  C       -10.2980498216       10.0719705693        4.0000000000
  C        -8.9301959554        9.5818104932        4.0000000000
  C        -7.8295112384       10.4328199551        4.0000000000
  C        -6.4673880491       10.0239084062        4.0000000000
  C        -6.2158726690        8.5652799234        4.0000000000
  C        -7.3575864775        7.7224666673        4.0000000000
  C        -8.6769178162        8.1492296656        4.0000000000
  C        -9.7847553869        7.2106688059        4.0000000000
  C        -9.5810832488        5.8367326817        4.0000000000
  C       -10.5989491195        4.8503154655        4.0000000000
  C       -11.9913829380        5.3390533000        4.0000000000
  C       -12.1712618892        6.7525409219        4.0000000000
  C       -11.1507600692        7.6962308034        4.0000000000
  C        15.7484020919        5.1921983679        4.0000000000
  C        14.6473247574        4.2354918363        4.0000000000
  C        17.1188598636        4.7044869163        4.0000000000
  C        17.3854443184        3.2807087248        4.0000000000
  C        16.2865873388        2.3305744929        4.0000000000
  C        14.9118077648        2.8217708830        4.0000000000
  C        13.3139324483        4.6439955553        4.0000000000
  C        12.1936279833        3.7855434476        4.0000000000
  C        12.4631772914        2.3548410130        4.0000000000
  C        13.8191249143        1.9558189792        4.0000000000
  C        18.6812919823        2.7761290649        4.0000000000
  C        15.5496102938        6.5644622924        4.0000000000
  C        16.5829715793        7.5498568724        4.0000000000
  C        17.9766380329        7.0490053789        4.0000000000
  C        18.1437920945        5.6433004978        4.0000000000
  C        19.0344050130        1.4057912619        4.0000000000
  C        17.9178658942        0.4352453166        4.0000000000
  C        16.5978266602        0.9796288617        4.0000000000
  C        27.3303065395       11.8113440202        4.0000000000
  C        28.6192921887       11.2908899332        4.0000000000
  C        28.9533021336        9.9054736501        4.0000000000
  C        27.8249216054        8.9544990823        4.0000000000
  C        26.5229515313        9.5166551039        4.0000000000
  C        26.2263164739       10.8732376615        4.0000000000
  C        24.8569891102       11.3583677646        4.0000000000
  C        23.7775283399       10.4910183483        4.0000000000
  C        22.4093639009       10.8725774371        4.0000000000
  C        22.1230666676       12.3267362046        4.0000000000
  C        23.2519584864       13.1934753846        4.0000000000
  C        24.5834028311       12.7890015240        4.0000000000
  C        25.6889437683       13.7313149515        4.0000000000
  C        25.4706267573       15.1124275583        4.0000000000
  C        26.5011782422       16.0716580766        4.0000000000
  C        27.8979474551       15.5743250391        4.0000000000
  C        28.0968191321       14.1769279898        4.0000000000
  C        27.0607523411       13.2443838528        4.0000000000
  C        29.7426118523       -1.0650457023        4.0000000000
  C        31.0447741004       -1.5625515800        4.0000000000
  C        31.3616871639       -2.9388754591        4.0000000000
  C        30.2367916069       -3.9056635936        4.0000000000
  C        28.9309125100       -3.3812109322        4.0000000000
  C        28.6378599514       -2.0139966634        4.0000000000
  C        27.2673945659       -1.5347649548        4.0000000000
  C        26.1725852545       -2.3940621324        4.0000000000
  C        24.8073120065       -1.9958509160        4.0000000000
  C        24.5469059252       -0.5374457048        4.0000000000
  C        25.6842656078        0.3146124269        4.0000000000
  C        27.0046083346       -0.1028387803        4.0000000000
  C        28.1070523202        0.8444695661        4.0000000000
  C        27.8927769568        2.2159537582        4.0000000000
  C        28.9036680467        3.2113678141        4.0000000000
  C        30.2997513177        2.7330625488        4.0000000000
  C        30.4897311623        1.3204336847        4.0000000000
  C        29.4760234387        0.3688484697        4.0000000000
  H         4.3122277497        7.0688305624        4.0000000000
  H         5.1746008206        2.2291026465        4.0000000000
  H         3.7271480570        0.9917168762        4.0000000000
  H        -0.9046707722        2.6757320284        4.0000000000
  H         2.5135511378        7.7198623122        4.0000000000
  H        -1.2366660776        4.5225122087        4.0000000000
  H       -11.2239613799       -3.8910907586        4.0000000000
  H        -7.4390746866       -0.7402823903        4.0000000000
  H        -5.6839325599       -1.3785765876        4.0000000000
  H        -4.7906520872       -6.2262020843        4.0000000000
  H        -6.2357265523       -7.4576456056        4.0000000000
  H       -10.9016809932       -5.7620469901        4.0000000000
  H       -13.5564317754        8.9552722502        4.0000000000
  H        -9.7671882386       12.1628971697        4.0000000000
  H        -7.9872627319       11.5107015727        4.0000000000
  H        -7.1409147341        6.6549876757        4.0000000000
  H        -8.5634625411        5.4479719835        4.0000000000
  H       -13.2088102656        7.0849961585        4.0000000000
  H        -9.2332497389        3.4847407262        4.0000000000
  H        -8.7535375601        0.8690885111        4.0000000000
  H        -5.0984651442        6.9951561367        4.0000000000
  H        -2.5968105269        6.0892535006        4.0000000000
  H        -1.6303405150        0.7294685118        4.0000000000
  H        -3.6496280323       -0.9881239212        4.0000000000
  H       -11.3586694256       13.8929490206        4.0000000000
  H       -14.9931658355       10.8039870120        4.0000000000
  H       -13.9162153070        5.0699809085        4.0000000000
  H       -12.5874910113       -2.2530040450        4.0000000000
  H       -11.6092618825       -7.9934356509        4.0000000000
  H        -7.1301654011       -9.6328474153        4.0000000000
  H        -2.6873935037       -5.8340472283        4.0000000000
  H         2.9958292274       -1.0116873400        4.0000000000
  H         1.1257210663        9.3420429884        4.0000000000
  H        -5.8799152669       11.8741564025        4.0000000000
  H         6.4341816671        7.4682503388        4.0000000000
  H         7.1796938942        2.5585092253        4.0000000000
  H        13.9910160048        0.8799538314        4.0000000000
  H        13.0897727097        5.7111908954        4.0000000000
  H        14.5344982431        6.9611535843        4.0000000000
  H        19.1782806918        5.3025850248        4.0000000000
  H        15.7947777910        0.2428783066        4.0000000000
  H        19.5222431483        3.4683924634        4.0000000000
  H        29.4714414239       11.9699262267        4.0000000000
  H        25.7096399024        8.7919906295        4.0000000000
  H        23.9538113052        9.4161811691        4.0000000000
  H        23.0168022025       14.2571521831        4.0000000000
  H        24.4530425607       15.4995906479        4.0000000000
  H        29.1320548512       13.8392638559        4.0000000000
  H        31.8893832881       -0.8753317837        4.0000000000
  H        28.1204342017       -4.1081499095        4.0000000000
  H        26.3385304586       -3.4706654256        4.0000000000
  H        25.4590472093        1.3803104594        4.0000000000
  H        26.8723998802        2.5973931715        4.0000000000
  H        31.5297576093        0.9955638255        4.0000000000
  H        27.5273030215        4.5641044499        4.0000000000
  H        27.0318406226        7.1948761251        4.0000000000
  H        23.4229925041        1.0239218182        4.0000000000
  H        20.8935944756        1.9131084822        4.0000000000
  H        19.8915861177        7.2503437792        4.0000000000
  H        21.9307396673        9.0104411700        4.0000000000
  H        29.7234404785       -5.8282485982        4.0000000000
  H        33.3370968570       -2.7168536398        4.0000000000
  H        32.2220241688        3.0178379885        4.0000000000
  H        30.8468890454       10.3386290865        4.0000000000
  H        29.8218324747       16.0738023058        4.0000000000
  H        25.3323736475       17.6835006248        4.0000000000
  H        20.9121810250       13.8420263522        4.0000000000
  H        15.2606863381        8.9666718065        4.0000000000
  H        17.1948505774       -1.3641392454        4.0000000000
  H        24.2304879123       -3.8480091052        4.0000000000
  H        11.8755942849        0.4626876981        4.0000000000
  H        11.0867125753        5.3636148017        4.0000000000
  N         7.3289230387        3.5721876923        4.0000000000
  N         6.8100316446        6.5179589088        4.0000000000
  N         0.2105869691        8.8745282911        4.0000000000
  N        -2.0262551219        6.9432500229        4.0000000000
  N        -0.7959793109        0.1304342124        4.0000000000
  N         1.9748204474       -0.8952094553        4.0000000000
  N       -11.9728688844       -1.4296775215        4.0000000000
  N        -9.6911161869        0.4499063582        4.0000000000
  N        -3.1961443670       -1.9100144019        4.0000000000
  N        -2.6384389157       -4.8075425838        4.0000000000
  N        -8.1122126512       -9.3483758338        4.0000000000
  N       -10.6757916317       -8.4112308611        4.0000000000
  N       -14.2616659461       11.5188115696        4.0000000000
  N       -12.1824641344       13.2874297371        4.0000000000
  N        -5.4770997280       10.9287726672        4.0000000000
  N        -4.9929050352        8.0171208186        4.0000000000
  N       -10.2582139670        3.5495335186        4.0000000000
  N       -13.0514021985        4.5151911306        4.0000000000
  N        10.9448247928        4.3488224704        4.0000000000
  N        11.4896795359        1.4089522086        4.0000000000
  N        18.1070129909       -0.8902002676        4.0000000000
  N        20.3309379351        1.0535915010        4.0000000000
  N        19.0555288475        7.8476793907        4.0000000000
  N        16.2825474444        8.8537267683        4.0000000000
  N        30.2368356883        9.5117814960        4.0000000000
  N        27.9678347053        7.6179019851        4.0000000000
  N        21.4645065813        9.9264314561        4.0000000000
  N        20.8750550468       12.8147878361        4.0000000000
  N        26.3162058018       17.4053442325        4.0000000000
  N        28.8855648777       16.4855177562        4.0000000000
  N        32.6092844407       -3.4355796446        4.0000000000
  N        30.5429589934       -5.2169888851        4.0000000000
  N        23.8219395771       -2.9048925049        4.0000000000
  N        23.3227665146        0.0010446853        4.0000000000
  N        28.5529864538        4.5086409403        4.0000000000
  N        31.3526785408        3.5656913497        4.0000000000
 Cu       -11.0701315282        1.8013260676        4.0000000000
 Cu        -3.1275418578        8.5272898950        4.0000000000
 Cu        -1.2704977438       -1.7395506486        4.0000000000
 Cu       -14.0944230663       13.4318235815        4.0000000000
 Cu       -13.2324789018        2.6001214078        4.0000000000
 Cu       -12.8153336218        0.2976495111        4.0000000000
 Cu        -9.8558413972      -10.1467868062        4.0000000000
 Cu        -0.8847183599       -4.0128828464        4.0000000000
 Cu         0.9075045137       -2.4999775956        4.0000000000
 Cu        -1.3511920764       10.0003615660        4.0000000000
 Cu        -3.5570049898       10.7933817090        4.0000000000
 Cu         9.1394505335        3.9493081227        4.0000000000
 Cu        29.3478974065        6.2677551023        4.0000000000
 Cu        21.4554364208       -0.5130570939        4.0000000000
 Cu        19.5392779126        9.7184203541        4.0000000000
 Cu        32.4562165616       -5.3517860321        4.0000000000
 Cu        31.5190271361        5.4833185066        4.0000000000
 Cu        31.0876556891        7.7865732760        4.0000000000
 Cu        28.0543888320       18.2164027078        4.0000000000
 Cu        19.1257642985       12.0009275962        4.0000000000
 Cu        17.3456984295       10.4661258136        4.0000000000
 Cu        19.6833465291       -2.0031015425        4.0000000000
 Cu        21.8982158344       -2.7837444100        4.0000000000
 Cu         8.6238135246        6.2623085865        4.0000000000
 Cu         9.6709957237        1.6339658015        4.0000000000
