      99
 i =       33, E =     -4636.9213855224
 Cu         1.2782310000        1.8076920000        1.2782310000
 Cu         3.8346930000        1.8076920000        1.2782310000
 Cu         6.3911550000        1.8076920000        1.2782310000
 Cu         8.9476180000        1.8076920000        1.2782310000
 Cu         1.2782310000        5.4230750000        1.2782310000
 Cu         3.8346930000        5.4230750000        1.2782310000
 Cu         6.3911550000        5.4230750000        1.2782310000
 Cu         8.9476180000        5.4230750000        1.2782310000
 Cu         1.2782310000        9.0384590000        1.2782310000
 Cu         3.8346930000        9.0384590000        1.2782310000
 Cu         6.3911550000        9.0384590000        1.2782310000
 Cu         8.9476180000        9.0384590000        1.2782310000
 Cu         0.0000000000        0.0000000000        2.5564620000
 Cu         2.5564620000        0.0000000000        2.5564620000
 Cu         5.1129240000        0.0000000000        2.5564620000
 Cu         7.6693870000        0.0000000000        2.5564620000
 Cu         0.0000000000        3.6153830000        2.5564620000
 Cu         2.5564620000        3.6153830000        2.5564620000
 Cu         5.1129240000        3.6153830000        2.5564620000
 Cu         7.6693870000        3.6153830000        2.5564620000
 Cu         0.0000000000        7.2307670000        2.5564620000
 Cu         2.5564620000        7.2307670000        2.5564620000
 Cu         5.1129240000        7.2307670000        2.5564620000
 Cu         7.6693870000        7.2307670000        2.5564620000
 Cu         1.2782310000        1.8076920000        3.8346930000
 Cu         3.8346930000        1.8076920000        3.8346930000
 Cu         6.3911550000        1.8076920000        3.8346930000
 Cu         8.9476180000        1.8076920000        3.8346930000
 Cu         1.2782310000        5.4230750000        3.8346930000
 Cu         3.8346930000        5.4230750000        3.8346930000
 Cu         6.3911550000        5.4230750000        3.8346930000
 Cu         8.9476180000        5.4230750000        3.8346930000
 Cu         1.2782310000        9.0384590000        3.8346930000
 Cu         3.8346930000        9.0384590000        3.8346930000
 Cu         6.3911550000        9.0384590000        3.8346930000
 Cu         8.9476180000        9.0384590000        3.8346930000
 Cu         0.0000000000        0.0000000000        5.1129240000
 Cu         2.5564620000        0.0000000000        5.1129240000
 Cu         5.1129240000        0.0000000000        5.1129240000
 Cu         7.6693870000        0.0000000000        5.1129240000
 Cu         0.0000000000        3.6153840000        5.1129240000
 Cu         2.5564620000        3.6153840000        5.1129240000
 Cu         5.1129240000        3.6153830000        5.1129240000
 Cu         7.6693870000        3.6153840000        5.1129240000
 Cu         0.0000000000        7.2307670000        5.1129240000
 Cu         2.5564620000        7.2307670000        5.1129240000
 Cu         5.1129240000        7.2307670000        5.1129240000
 Cu         7.6693870000        7.2307670000        5.1129240000
 Cu         1.2781454976        1.8034729274        6.3722433612
 Cu         3.8292471452        1.8096357952        6.3719573239
 Cu         6.3842651888        1.8027603252        6.3563195472
 Cu         8.9480413562        1.8089640789        6.3732688168
 Cu         1.2791608453        5.4269548329        6.3438420580
 Cu         3.8390424951        5.4215603288        6.3430701999
 Cu         6.3861205442        5.4254620165        6.3577712338
 Cu         8.9446114309        5.4219545224        6.3439629707
 Cu         1.2786738678        9.0428278539        6.3740082572
 Cu         3.8315247754        9.0412025560        6.3722763514
 Cu         6.3850993316        9.0473325869        6.3566573789
 Cu         8.9479235459        9.0411006616        6.3738973591
 Cu        -0.0068678143        0.0000238907        7.5961015246
 Cu         2.5626857298       -0.0001752557        7.5976097275
 Cu         5.0934395664       -0.0013401131        7.5975824655
 Cu         7.6747730944       -0.0011475914        7.5971857501
 Cu        -0.0005659223        3.6147377805        7.5918846520
 Cu         2.5488656439        3.6150725769        7.5923050120
 Cu         5.0995398064        3.6119898868        7.6121518750
 Cu         7.6653395149        3.6114311934        7.6117104648
 Cu        -0.0031298004        7.2357952795        7.5928662267
 Cu         2.5568992743        7.2359411032        7.5931283241
 Cu         5.0979859321        7.2393120702        7.6015407592
 Cu         7.6687816071        7.2395153591        7.6014407921
 Cu         1.2780278857        1.7981970917        8.8710875203
 Cu         3.8370900956        1.8293611237        8.9076974922
 Cu         6.3821187393        1.7854516678        8.8515847635
 Cu         8.9417089576        1.8291489605        8.9069795912
 Cu         1.2769895667        5.4335078744        8.8645944208
 Cu         3.8035098306        5.4282708879        8.8503312188
 Cu         6.3813867970        5.4400825379        8.7952176857
 Cu         8.9685236856        5.4268816629        8.8494555906
 Cu         1.2801400113        9.0420897846        8.8681518035
 Cu         3.8401387914        9.0223699901        8.9062404198
 Cu         6.3857313637        9.0582335272        8.8668903192
 Cu         8.9451733095        9.0237484799        8.9053243164
 Cu        -0.0020381402       -0.0024463580       10.0844867812
 Cu         2.5587973056       -0.0029846900       10.0865266677
 Cu         5.1004499964       -0.0000957606       10.0762862759
 Cu         7.6654745767        0.0005247349       10.0737383301
 Cu        -0.0021661557        3.6178374285       10.0748632715
 Cu         2.5520361665        3.6177447269       10.0766403272
 Cu         5.0954070515        3.6258506366       10.1355608596
 Cu         7.6654455415        3.6223302386       10.1318511516
 Cu        -0.0071779086        7.2335059438       10.0849013550
 Cu         2.5698738633        7.2342793264       10.0872845344
 Cu         5.1433318008        7.2267519987       10.1338817052
 Cu         7.6487435449        7.2245843943       10.1327357455
  N         6.3863725715        4.7241097084       11.1923170876
  H         6.3943251481        6.4388041985       12.3439488702
  C         6.3916885359        6.0051975758       11.3233908146
