     210
 i =       96, E =     -2265.8097539920
 ZN         0.8111782961        9.6745283575       12.8584871223
 ZN        14.1624931726        1.9790177211        6.2725342535
 ZN         4.1224067136       10.2727001168       14.0447085596
 ZN        12.9825093658        5.1544296691        5.1369188370
  O        -0.7162954982        9.8097601746       11.6109680190
  O        16.5943789252        8.0865038553       12.9586627824
  O         3.7053382010        8.7298860397        0.2158751018
  O         6.8160624153        6.6704583228       11.2406665861
  O         8.1374775967        6.9269877826       12.9518511028
  O         5.9586132860       14.3088913186       11.1876197361
  O        14.0057295920       -0.0052987371       12.8812038075
  O         4.4044158497       10.8321105100        0.2895346121
  O        15.0834025789        0.7061663726        7.5033592941
  O         4.8508481864       14.9464784273        6.1527583456
  O        13.9017083798        4.6813464679       18.9822280377
  O         8.1015864937        5.5845727083        7.4345384166
  O         7.9265236450        7.4356464523        6.2233867306
  O        15.6606802753        8.7854327411        7.9239379722
  O        -0.8540853957        8.5336240357        6.1679607029
  O        12.4423486983        6.2874396318       19.1818927843
  C        16.2681648451        8.8451056310       12.0163581780
  C        14.9596036306        8.6980034272       11.2783737205
  C         2.5589089356       13.3529883384       11.5461724167
  C         1.4342987188       12.4919346432       11.5909348030
  C         2.5260588799       14.5297600171       10.7839698588
  C         0.2295372572       13.9576235065       10.1521529941
  C         0.2450933564       12.7885139668       10.8943221057
  C         1.3625403552       14.8245515141       10.0746402445
  C         0.2763893412        9.4051787762       15.9713036061
  C         1.0972683090        9.5241950031       17.1189570932
  C         0.6120477356        9.2687193165       18.4118703133
  C        -0.7301666162        8.9113935467       18.5372472217
  C        -1.0785585970        9.0379959318       16.0874368110
  C        16.2236298515        8.8128230055       17.3680187769
  C         7.9758845665        6.4565253206       11.7664285941
  C         9.0461558356        5.7218103919       11.0265837613
  C         2.3322395298        7.2971275050       11.5494732171
  C         3.6455028352        6.7705547544       11.5847038399
  C         1.3095508734        6.7381745915       10.7702810088
  C         2.9454831135        5.0859415869       10.0374722726
  C         3.9583592547        5.6280211529       10.8178567002
  C         1.6219457564        5.6301024050        9.9866568991
  C         6.6733988483        7.3348422403       15.8446092709
  C         6.1955557459        7.9870080006       17.0066418127
  C         6.6605222599        7.6711114845       18.2910067929
  C         7.6225407943        6.6697715865       18.4125059714
  C         7.6340498310        6.3088278701       15.9600251752
  C         8.0835618178        5.9981339643       17.2341475144
  C        14.4978261567        0.0488391921       11.6926246966
  C        14.6515460530        1.3277791681       10.9369710051
  C         7.5833849197       10.1362943106       11.5574328130
  C         7.4211594423       11.5412816370       11.6561402057
  C         8.5938735129        9.5796358607       10.7570085501
  C         9.2993463239       11.8501478323       10.2088830412
  C         8.3019151379       12.4159852222       10.9869746737
  C         9.4472230080       10.4369879210       10.0635757480
  C         5.3021259136       13.9657342646       15.8144274887
  C         4.9546454702       13.2202671613       16.9671790128
  C         4.9357268935       13.7845522712       18.2512222486
  C         5.2764618542       15.1311394733       18.3725790363
  C         5.6593438535       15.3245488349       15.9332376661
  C        14.5265928109        0.4814713091       17.2045451930
  C         5.6936315172       14.9677219969        7.0836904922
  C         6.1645176446       13.7129216564        7.7763751852
  C        16.4674575507        5.3498926464        7.6367447005
  C        16.3047485700        3.9433510690        7.5628248680
  C        17.4936651659        5.9110856594        8.4163109539
  C        18.1852410598        3.6361806025        8.9956421617
  C        17.1729427649        3.0643901012        8.2421743554
  C        18.3505595533        5.0520398357        9.1069281865
  C        14.0864609044        1.4746465718        3.1652179032
  C        13.7297553355        2.2527957883        2.0378538692
  C        13.7526561012        1.7145746609        0.7390971525
  C        14.1414313348        0.3814019772        0.5958399332
  C        14.4730184248        0.1277649212        3.0319312574
  C         5.6084074375       15.0066465400        1.7504056331
  C         7.4433976691        6.6686175834        7.0910790980
  C         6.1385701868        6.9362524599        7.7917581532
  C        11.3710450385        2.0868363578        7.6921138756
  C        10.2696445446        2.9754649955        7.6857634789
  C        11.3694612662        0.9037118838        8.4407331182
  C         9.1193999085        1.5218011815        9.1812921757
  C         9.1087925936        2.6897188120        8.4327877501
  C        10.2404971461        0.6326035173        9.2110720458
  C         9.1805131741        5.9110502422        3.2121184673
  C        10.0089902796        5.7466807850        2.0757208509
  C         9.5139993102        5.9614435469        0.7765793795
  C         8.1779892041        6.3427371750        0.6377817649
  C         7.8283028711        6.2812475659        3.0827398851
  C         7.3515645030        6.4815890258        1.8001217638
  C        -0.9782826256        9.0082512413        7.3573590556
  C         0.1093937884        9.7575798402        8.0553310143
  C        11.1467082840        8.1616054124        7.6069390578
  C        12.4667107563        8.6720589184        7.5696771280
  C        10.1389171803        8.7464481965        8.3865282858
  C        11.7998240044       10.3859345809        9.0969662694
  C        12.7986406530        9.8218250485        8.3162686062
  C        10.4732478248        9.8547199033        9.1625084944
  C        15.4754472608        8.0115291812        3.3133246908
  C        15.0256873637        7.3035160422        2.1696794065
  C        15.5315179335        7.5822184524        0.8895902123
  C        16.4733752056        8.6002871980        0.7566056516
  C        16.4228713885        9.0477028063        3.1866356893
  C        -0.8802060940        9.3244253464        1.9155313770
  C         4.0780758170        9.7204266103        0.8968831760
  C         4.1983990061        9.6724922702        2.3977884199
  C        13.2602914279        5.6459669827       18.4228892672
  C        13.4511967393        5.9974100603       16.9826136398
  N         1.7786078705       11.4386681177       12.3877925939
  N         3.0365463573       11.6492756915       12.8018359340
  N         2.3096091239        8.3839185610       12.3709252470
  N         1.0573780861        9.7083515713       14.8889682865
  N         2.2859238927        9.9996540795       15.3448803584
  N         2.3418752472        9.8937360892       16.6785750261
  N         4.3688750479        7.5830050870       12.4406990464
  N         3.5351054042        8.5341825689       12.8804667718
  N         6.6078971784        9.5497771267       12.3250508910
  N         6.0296941817        7.9160149297       14.7705030968
  N         5.2205919148        8.8651229282       15.2658214277
  N         5.2948459349        8.9315774393       16.5996256761
  N         6.3306154576       11.7542758143       12.4692253994
  N         5.8789037094       10.5438637353       12.8398622047
  N         3.5405241501       12.7900516440       12.3250778373
  N         5.1956995190       13.1048846554       14.7407708741
  N         4.8013467634       11.9198179594       15.2261085441
  N         4.6502319035       11.9511011593       16.5537792280
  N        15.2211012207        3.7104524997        6.7633318887
  N        14.7548979555        4.9069811501        6.3732600006
  N        12.3295770633        2.6297496694        6.8872484189
  N        13.9590080469        2.2748445047        4.2646184992
  N        13.5332460364        3.4752005827        3.8462610723
  N        13.3824572389        3.4989859110        2.5180669810
  N        10.6189433859        4.0267133138        6.8740087819
  N        11.8544065973        3.7885536237        6.4238831170
  N        11.1174906771        7.0527542335        6.8083402577
  N         9.9456108627        5.6467538171        4.3144967426
  N        11.1802212113        5.3386477120        3.8828080581
  N        11.2587446169        5.3942506844        2.5474044506
  N        13.1890100463        7.8354236338        6.7408616084
  N        12.3521799778        6.8767361301        6.3195753890
  N        15.4776997736        5.9163441529        6.8659040303
  N        14.8205779332        7.4710991232        4.3970764555
  N        14.0216561459        6.5011352591        3.9160072900
  N        14.1135497283        6.3704677170        2.5909182564
  H        15.1488841218        8.5417011096       10.2064611074
  H        14.3785903885        9.6267536172       11.3627402057
  H        14.3800378067        7.8637797305       11.6845265411
  H         5.2469262908        9.4674652644        2.6655990098
  H         3.3720074846       15.2050000068       10.7480916922
  H        -0.6577642340       14.2144722034        9.5763450467
  H        -0.6002160085       12.1049846072       10.9330972994
  H         1.2846591739        9.2920461886        0.1517070669
  H        16.0742323856        8.9263400583       15.2041061184
  H        15.1728682113        8.5646380387       17.5037977679
  H         8.8064330535        5.6728370269        9.9559542268
  H         9.1247220446        4.6954487529       11.4169493340
  H        10.0156631137        6.2125185625       11.1847472214
  H         3.9295255165       10.6390269378        2.8415266082
  H         0.3032475705        7.1467141531       10.8079240366
  H         3.1711391722        4.2245610612        9.4111831709
  H         4.9610477000        5.2124936440       10.8148174561
  H         6.2907753561        8.2206528110        0.0376977779
  H         8.0128901731        5.7956878721       15.0816857857
  H         8.8103902820        5.1966316622       17.3500308469
  H        14.8136859871        1.1297020273        9.8683032521
  H        15.5177285362        1.8824284812       11.3299115504
  H        13.7651303263        1.9588264189       11.0849383709
  H         3.5729046517        8.8702129533        2.8046956459
  H         8.7153284760        8.5065022556       10.6763835155
  H         9.9721816300       12.5021407127        9.6550797103
  H         8.1769240318       13.4916714432       11.0533686420
  H         4.6383191255       13.1773921643       -0.0102805004
  H        14.8165733644        0.5152312101       15.0599106951
  H        14.8170254440        1.5232890108       17.3289836153
  H         5.9656541003       13.7815670329        8.8561034683
  H         7.2533385714       13.6144071994        7.6644994253
  H         5.6711426840       12.8313486858        7.3565031619
  H        13.0279851369        5.1994005400       16.3542917991
  H        17.6279264984        6.9841161673        8.4836300043
  H        18.8605788883        2.9919676096        9.5556359319
  H        17.0235053744        1.9884962398        8.1822398140
  H        13.4640051405        2.3198705572       18.9984739945
  H         5.8264433494       14.9258941990        3.9075664999
  H         5.9216506070       13.9747527260        1.6049254095
  H         6.3082128395        7.0146934245        8.8766201838
  H         5.4510745051        6.0923257895        7.6399290591
  H         5.6839804966        7.8583403295        7.4161202829
  H        12.9493553373        6.9434232633       16.7509843702
  H        12.2090696810        0.2153974249        8.3982995115
  H         8.2548359418        1.2771896517        9.7959540846
  H         8.2619041844        3.3718926999        8.4220989935
  H        10.1764086010        5.8969730888       19.0330315826
  H         7.2043837818        6.4168380443        3.9624429587
  H         6.3041858440        6.7445112824        1.6619564861
  H        -0.0913068038        9.8048405057        9.1347965917
  H         0.1593318898       10.7840666800        7.6602592748
  H         1.0792372703        9.2817629323        7.8588727390
  H        14.5229039336        6.0641933930       16.7481744136
  H         9.1257039835        8.3575236995        8.3598649483
  H        12.0401825081       11.2500756967        9.7137165755
  H        13.8075904243       10.2216472499        8.3074953293
  H        15.2380102159        6.9797743691       19.1507079854
  H        -1.0044268104        9.5947634654        4.0561469694
  H        -0.1646068615       10.1336390511        1.7845457522
 Co         6.2360915032        7.5481592191       12.8906362762
 Co         5.4636818453       13.4261863981       12.8766184735
 Co         9.6940548019        5.7346753716        6.3076820344
 Co        15.0442509198        7.8881868532        6.2787936014
 Co         4.1188491748       10.2691732676       17.5439807891
 Co        12.8564242640        5.0430913444        1.5369178701
