     253
 i =       26, E =     -1175.8264203981
 Zn        16.7683553674       17.5782003133       17.2554849856
  N        18.7816020867       17.6771032460       16.8551003781
  C        19.6108593919       16.6238474415       16.5425232102
  C        20.9536904587       17.1142107555       16.2570231209
  C        20.9125079113       18.4876627147       16.4328517478
  C        19.5445177272       18.8217289688       16.7983150400
  C        19.2289929676       15.2792448277       16.5294257726
  H        20.0194332333       14.5543871186       16.3480569804
  N        16.8364744615       15.5399783303       17.0179189251
  C        17.9409436247       14.7733934638       16.7170106131
  C        17.5669988470       13.3635498639       16.6515555317
  C        16.2144327774       13.3084498841       16.9452996988
  C        15.7727877507       14.6778986173       17.1466724368
  C        14.4437431914       15.0482492169       17.3678837988
  H        13.7139789833       14.2419660866       17.3560303524
  N        14.7349578099       17.4716829794       17.5883007006
  C        13.9542996793       16.3370524994       17.5811939342
  C        12.5506333827       16.6878018031       17.7778734016
  C        12.5105160262       18.0692677482       17.8879059549
  C        13.8872448596       18.5358956734       17.7871359643
  C        14.2885795514       19.8684797198       17.9008807722
  H        13.5096813944       20.5897444544       18.1371803972
  N        16.6985354819       19.6170357261       17.4703469461
  C        15.5763534191       20.3761683260       17.7136442424
  C        15.9291414743       21.7865851866       17.7392787440
  C        17.2974057124       21.8539310648       17.5144285404
  C        17.7577082173       20.4869748563       17.3364363201
  C        19.0652681161       20.1172642774       17.0082163208
  H        19.7826907307       20.9260089725       16.8814437894
  P        25.6420464341       13.4708126447       14.8767349806
  O        25.4449076710       12.7314205746       13.6072271836
  O        26.9873363200       14.3702878226       14.9636332481
  C        27.2359734242       15.2900700781       13.8491956994
  H        26.3200887994       15.8638212759       13.6430634238
  H        27.4711412039       14.6942636569       12.9571439748
  C        28.3805062828       16.2035748872       14.2530894117
  H        28.6232357505       16.8913340079       13.4301841378
  H        29.2808261210       15.6221769990       14.4909462323
  H        28.1148996906       16.8033831545       15.1335176363
  O        25.7851557927       12.6059743116       16.2213700374
  C        26.2803707683       11.2226945631       16.1235458613
  H        26.9015568227       11.1208093530       15.2247048547
  H        26.9197895008       11.0974297268       17.0064925049
  C        25.1161156715       10.2465263393       16.1079678049
  H        25.4973521243        9.2145057506       16.1343886599
  H        24.5080027789       10.3564991820       15.2000202200
  H        24.4650354512       10.3924784103       16.9796792257
  C        22.1075809425       16.2791062188       15.8920687573
  C        23.3359741042       16.4190583971       16.5696339223
  H        23.4292116069       17.1749328882       17.3471334835
  C        24.4146379206       15.5891252919       16.2669060215
  H        25.3556098476       15.7003545101       16.8035433118
  C        24.2928348427       14.6002262025       15.2749104954
  C        23.0865918234       14.4796419971       14.5673472735
  H        23.0122879401       13.7333892436       13.7773605346
  C        22.0085217565       15.3117762180       14.8719449277
  H        21.0822180895       15.2286834253       14.3060443815
  P        25.1951437795       22.6745588187       15.3538754733
  O        24.9905215293       23.3773134449       14.0632149337
  O        25.2489025927       23.6272652041       16.6568529874
  O        26.5558119434       21.8360987209       15.5167556774
  C        21.9854012558       19.4669507501       16.2097505492
  C        22.6540030707       19.5141654048       14.9703865083
  H        22.3850464674       18.7968186154       14.1972083662
  C        23.6226278069       20.4837578970       14.7229484209
  H        24.1069328552       20.5381517947       13.7491355946
  C        23.9695286999       21.4101366434       15.7224110769
  C        23.3291711076       21.3512653056       16.9696267111
  H        23.6115621710       22.0538655425       17.7512785133
  C        22.3397979293       20.3951039396       17.2063334268
  H        21.8456981559       20.3497569949       18.1756007736
  C        27.8248920292       22.5153705467       15.2225515187
  H        27.7288527609       23.0323342779       14.2581818940
  H        28.0000499615       23.2661397669       16.0053144296
  C        28.9160018692       21.4593609804       15.1972556738
  H        29.8887222759       21.9292394387       14.9920476118
  H        28.7238150391       20.7133979452       14.4150599668
  H        28.9838980314       20.9385224722       16.1612030412
  C        24.3915385558       24.8198696708       16.7046672737
  H        24.4459367926       25.3203352061       15.7293913064
  H        23.3521728022       24.4990765195       16.8679089587
  C        24.8779476159       25.7025702324       17.8375569062
  H        24.1919634623       26.5547117386       17.9522437123
  H        25.8928244676       26.0716469097       17.6442328704
  H        24.8890550419       25.1484981927       18.7853969576
  P        21.3318953831        8.7101782014       15.5224361512
  O        22.2428869784        8.9536242405       14.3798356635
  O        20.3744517891        7.4077947701       15.3604833311
  O        21.9785860837        8.4056027226       16.9610275443
  C        18.4717428130       12.2398064657       16.3729032746
  C        18.4360415381       11.0846358805       17.1823352873
  H        17.7305012652       11.0395167888       18.0095505939
  C        19.2993069066       10.0187672645       16.9423873829
  H        19.2627048487        9.1346830075       17.5765231604
  C        20.2315159849       10.0841343183       15.8910906984
  C        20.2693002652       11.2232328117       15.0722869419
  H        20.9877154062       11.2619229170       14.2543705011
  C        19.3920907779       12.2840180579       15.3066817396
  H        19.4062188278       13.1504375489       14.6482736028
  C        22.9490476491        7.3089638578       17.0716371163
  H        23.6856110731        7.4122409952       16.2628871197
  H        22.4112705135        6.3611140938       16.9353106722
  C        23.5929562611        7.4068473176       18.4428215779
  H        24.3198820964        6.5927379459       18.5759228694
  H        22.8406714258        7.3286238815       19.2383296158
  H        24.1216042748        8.3619113308       18.5597659394
  C        19.6787693045        7.2478591641       14.0822284040
  H        19.0737682523        8.1470219571       13.8920771422
  H        20.4286699304        7.1671994456       13.2839849638
  C        18.8077044685        6.0071167645       14.1834102382
  H        18.2660591473        5.8484820548       13.2397559791
  H        18.0696200081        6.1087494238       14.9899199102
  H        19.4150599793        5.1147172929       14.3834337403
  P        12.0751319867        8.8580166050       17.1621421901
  O        11.4617321713        8.6224415809       15.8320782792
  O        11.1387861350        9.3582422321       18.3586991443
  O        12.7359904486        7.5314592389       17.8251777768
  C        15.3038442942       12.1548413082       17.0271267808
  C        15.0488659944       11.3412223929       15.9090951828
  H        15.5910871457       11.5252364325       14.9833791757
  C        14.0689925069       10.3482466459       15.9667257578
  H        13.8252443915        9.7634538921       15.0808497954
  C        13.3503241784       10.1261912005       17.1548249587
  C        13.6386186176       10.8997411141       18.2914469534
  H        13.0914434790       10.7249970122       19.2153747397
  C        14.5965588563       11.9096054062       18.2213840209
  H        14.8023078246       12.5282383086       19.0935923141
  C        13.5818264430        6.7106279800       16.9536515240
  H        14.4195411305        7.3266167810       16.5926163097
  H        12.9873484420        6.3981156671       16.0849325002
  C        14.0790841709        5.5292490630       17.7686861670
  H        14.7237632702        4.8889818256       17.1492843357
  H        13.2404267528        4.9213371901       18.1319717916
  H        14.6617732231        5.8660117160       18.6359027744
  C         9.8873699543        8.6418624183       18.6435429974
  H         9.2545435744        8.6928716218       17.7479351505
  H        10.1288705392        7.5911392035       18.8534254360
  C         9.2366421605        9.3274150647       19.8302592309
  H         8.2908423087        8.8242217642       20.0789151206
  H         9.0145443106       10.3764329860       19.5947304925
  H         9.8848212395        9.2893331448       20.7150372039
  P         7.9539580008       12.7156662307       17.3034443659
  O         6.9246437446       13.1662923568       16.3363440773
  O         7.4933402161       12.4476328671       18.8255668688
  O         8.6390905066       11.2900993453       16.9685293348
  C        11.4210442327       15.7453838348       17.7426419745
  C        10.2867902022       16.0337499987       16.9574733928
  H        10.2439229711       16.9741011427       16.4114725579
  C         9.2373659380       15.1207001932       16.8551764140
  H         8.3663719189       15.3391746849       16.2390635615
  C         9.2998473205       13.8899503430       17.5298363015
  C        10.4183934365       13.5969907949       18.3279813387
  H        10.4788587272       12.6424593815       18.8491597931
  C        11.4564718245       14.5210974217       18.4448994603
  H        12.3046349468       14.2978240742       19.0893222729
  C         8.8834418942       10.9404285663       15.5571486957
  H         9.8142467640       10.3587205344       15.5663553322
  H         9.0430942288       11.8591880669       14.9780262694
  C         7.7147492359       10.1344341908       15.0131327489
  H         7.9266046508        9.8113334933       13.9832896869
  H         6.7961542129       10.7354447691       15.0128318419
  H         7.5502232437        9.2335842999       15.6193615124
  C         6.3194284644       11.5894918912       19.0283912230
  H         5.4876427806       11.9939572089       18.4358103477
  H         6.5549097802       10.5837036493       18.6525166938
  C         6.0108952243       11.5792461697       20.5146499316
  H         5.1326656386       10.9478234213       20.7120170632
  H         5.7944338165       12.5924202069       20.8774074219
  H         6.8563588978       11.1804764264       21.0906959300
  P         8.2278794664       22.1581875021       19.2257164549
  O         6.9281324403       21.6771905533       19.7351323038
  O         8.2241289573       23.1338668266       17.9400031485
  O         9.0215985161       22.9694901865       20.3807748875
  C        11.3670178249       18.9679008848       18.1001995325
  C        10.4738922742       18.7746180323       19.1719468277
  H        10.5827014630       17.8933821083       19.8016673686
  C         9.4884461323       19.7204875731       19.4518713614
  H         8.8133489798       19.5774950783       20.2946952853
  C         9.3726963010       20.8830525548       18.6675778657
  C        10.2153452280       21.0493230936       17.5579014552
  H        10.1062564683       21.9306734789       16.9295155382
  C        11.1918365704       20.0948256082       17.2728506411
  H        11.8400973065       20.2217245007       16.4073953896
  C         7.4174467858       24.3607745502       18.0062615148
  H         6.3601600508       24.0680087931       17.9599003226
  H         7.5975169132       24.8531190507       18.9723941729
  C         7.8314499105       25.2493975524       16.8468681693
  H         7.2004632828       26.1500211073       16.8261671816
  H         7.7061713591       24.7267035925       15.8900085786
  H         8.8765831240       25.5710074664       16.9531546069
  C        10.3205268924       23.5848719360       20.0889430738
  H        10.2286814696       24.2299052391       19.2059024090
  H        11.0442781732       22.7880876660       19.8647915239
  C        10.7378293488       24.3918214082       21.3061397620
  H        11.7139408290       24.8628441356       21.1197791837
  H        10.8208090113       23.7574074334       22.1977614583
  H        10.0110752068       25.1884409764       21.5120098774
  P        12.2851934103       26.6231619591       18.3579766770
  O        10.8291056541       26.3804804895       18.2594615227
  O        12.8295086937       27.3260586307       19.7077155667
  O        12.7576913805       27.5831869423       17.1436826985
  C        15.0121865134       22.9146035042       17.9600007165
  C        15.3390015975       23.9273034943       18.8841540062
  H        16.2552468110       23.8372437140       19.4645776740
  C        14.5134827177       25.0373854056       19.0541679543
  H        14.7825018232       25.8123905792       19.7687195635
  C        13.3291017872       25.1606952902       18.3067091515
  C        12.9759061922       24.1401896592       17.4066123769
  H        12.0524029089       24.2242715389       16.8347948015
  C        13.8096299221       23.0355715751       17.2337970182
  H        13.5464977900       22.2702238357       16.5059974276
  C        12.1471179335       28.5376836098       20.1765536773
  H        11.9893485788       29.2144095630       19.3249553250
  H        11.1633535789       28.2416894205       20.5645128712
  C        13.0234514090       29.1692910158       21.2432769415
  H        12.5404660400       30.0730522658       21.6421492421
  H        14.0004498450       29.4568937793       20.8326424211
  H        13.1897606682       28.4742635244       22.0767063649
  C        14.1479256699       28.0328292541       17.0294917345
  H        14.6361171468       27.9761065792       18.0116362906
  H        14.0796824677       29.0926793603       16.7506615408
  C        14.9006273207       27.2285996334       15.9791405939
  H        15.9152685418       27.6369913232       15.8572495601
  H        14.3893427078       27.2780974720       15.0094349114
  H        14.9902829646       26.1751950224       16.2737702415
  P        20.5433394204       26.9958728778       17.1215467279
  O        21.7689067651       26.9372143484       17.9528089583
  O        19.4793399993       28.1593779336       17.4550223926
  O        20.7077656957       27.3462308966       15.5636406465
  C        18.1170024325       23.0674353673       17.3926146482
  C        17.7092885104       24.1050773717       16.5282553193
  H        16.8037982174       23.9753229169       15.9384806110
  C        18.4489439599       25.2789437385       16.4280047786
  H        18.1227027535       26.0741286268       15.7588721695
  C        19.6193139821       25.4475220589       17.1901734441
  C        20.0450441081       24.4119357188       18.0363133022
  H        20.9538025713       24.5510742727       18.6203313011
  C        19.3003837865       23.2339849495       18.1364991851
  H        19.6179197932       22.4443500672       18.8157308262
  C        19.0081408478       28.2560587464       18.8397143673
  H        19.5501720502       27.5384379682       19.4712606995
  H        19.2780793361       29.2644483567       19.1795385105
  C        17.5048363737       28.0260035309       18.8808636070
  H        17.1289997247       28.1546649355       19.9068639067
  H        17.2484716443       27.0123304795       18.5441745775
  H        16.9861244934       28.7459134276       18.2340937223
  C        21.7172293644       26.5672768491       14.8286337048
  H        22.7084115427       26.8889297086       15.1737777168
  H        21.5990901122       25.5006613325       15.0704136976
  C        21.5177669331       26.8214431192       13.3471358243
  H        22.2710449994       26.2601905766       12.7745831210
  H        21.6259968123       27.8879308868       13.1118814127
  H        20.5225176755       26.4935226380       13.0205416130
