     512
 i =      250, E =     -2386.3091775950
 Zn        14.4262205188       20.5705467885       20.4147485875
  O        14.0488146876       20.9354277161       18.3421506565
  H        14.2422300686       21.8247930693       17.9475762093
  H        13.1553408911       20.6165212952       18.0350021642
  N        16.5202912036       20.5837406576       20.3154674669
  C        17.3451301572       19.5298086992       20.0140663312
  C        18.7023813929       20.0129978553       19.7514129503
  C        18.6533778529       21.3878141883       19.9217396730
  C        17.2848571119       21.7223729666       20.2843527406
  C        16.9457282316       18.1879413266       19.9733409181
  H        17.7359739991       17.4534771955       19.8489737329
  N        14.5422285415       18.4650463702       20.3563351352
  C        15.6429507839       17.6919803959       20.0859452788
  C        15.2547972612       16.2801862131       19.9760397558
  C        13.8926444645       16.2454005571       20.2235009226
  C        13.4704715212       17.6184428478       20.4585898712
  C        12.1520683998       17.9949727418       20.7342806735
  H        11.4184096113       17.1930772394       20.7235513503
  N        12.4583819439       20.4046944162       21.0420818703
  C        11.6770207306       19.2790445910       21.0122157057
  C        10.2743535132       19.6332274777       21.2311670852
  C        10.2426108935       21.0132667284       21.3564367435
  C        11.6264539785       21.4718973411       21.2579706817
  C        12.0407055471       22.8034736036       21.3869846587
  H        11.2634084985       23.5255157931       21.6273256161
  N        14.4531637222       22.5568744245       20.9821865774
  C        13.3342918555       23.3132313944       21.2148280363
  C        13.6937272953       24.7249821718       21.2431148025
  C        15.0649505909       24.7852188469       21.0260662129
  C        15.5172933950       23.4112590924       20.8554343131
  C        16.8207584614       23.0212991670       20.5254278354
  H        17.5566122852       23.8169779752       20.4296616061
  P        23.4524363969       16.4036547385       18.5109658963
  O        23.2191021828       15.4356134494       17.3968044168
  O        24.7668307206       17.3089231968       18.3398675324
  C        24.8827345000       18.0685202404       17.0785198715
  H        23.9014856510       18.4961671740       16.8283218179
  H        25.1618473891       17.3606333158       16.2897497951
  C        25.9239776982       19.1529433370       17.2634372577
  H        26.0313325129       19.7129850699       16.3226668566
  H        26.9011175909       18.7224703022       17.5178144433
  H        25.6328227243       19.8599341129       18.0511090569
  O        23.6995283556       15.7477867659       19.9525352306
  C        24.2874147106       14.4012042379       20.0285124376
  H        24.9094752709       14.2207214746       19.1425337309
  H        24.9394023861       14.4349223384       20.9101616655
  C        23.1888124094       13.3581731800       20.1657420120
  H        23.6336840207       12.3633509300       20.3169864802
  H        22.5618635267       13.3194294607       19.2649881410
  H        22.5423557774       13.5805447825       21.0246335247
  C        19.8683291315       19.1917224492       19.3971947262
  C        21.1428635330       19.4652157069       19.9437769825
  H        21.2611546449       20.3113145368       20.6175692701
  C        22.2379060597       18.6523573542       19.6559930592
  H        23.2082294509       18.8731767567       20.0982821228
  C        22.0928934642       17.5349408187       18.8111556217
  C        20.8451312815       17.2754937426       18.2272794916
  H        20.7197896953       16.4354712231       17.5468438182
  C        19.7595201349       18.0974202068       18.5162690633
  H        18.8120081528       17.8874474312       18.0318584512
  P        22.8454705557       25.6247323748       18.7028471803
  O        22.5597625401       26.3767364378       17.4532094040
  O        22.9816443058       26.5430134505       20.0256324834
  O        24.1830221332       24.7507366034       18.7621329695
  C        19.7022334927       22.3821517659       19.6589675138
  C        20.2295118564       22.5172247171       18.3592524718
  H        19.8703030211       21.8573899946       17.5696456415
  C        21.1647300742       23.5099782260       18.0764089644
  H        21.5383550716       23.6280940657       17.0602993640
  C        21.6213628900       24.3658258493       19.0946028867
  C        21.1118270908       24.2253413214       20.3943371524
  H        21.4759435730       24.8773824033       21.1860661337
  C        20.1496149039       23.2520395859       20.6691966920
  H        19.7496104544       23.1454711205       21.6764538343
  C        25.4998517400       25.3630389967       18.5076833881
  H        25.5548050167       25.6119083417       17.4406263795
  H        25.5771112623       26.2799871955       19.1066253879
  C        26.5531987672       24.3379025531       18.8834529169
  H        27.5550398303       24.7554863256       18.7064117300
  H        26.4469492163       23.4434913619       18.2565960549
  H        26.4768607305       24.0577380080       19.9412912395
  C        22.0898060033       27.7053752167       20.1617874787
  H        22.0918185347       28.2547763252       19.2117751095
  H        21.0668209174       27.3428223670       20.3429439930
  C        22.5865361854       28.5495870997       21.3189646082
  H        21.8860338263       29.3826602785       21.4804895658
  H        23.5877650855       28.9493150119       21.1151041004
  H        22.6356789407       27.9580143968       22.2424200586
  P        19.0816152875       11.6650573540       18.8741627863
  O        20.0536589153       11.9362177030       17.7745886222
  O        18.1971177758       10.3330903240       18.6625176103
  O        19.7228239031       11.3801591094       20.3141575076
  C        16.1489053497       15.1493344096       19.6898513019
  C        16.0072288698       13.9164155460       20.3673703146
  H        15.2132556922       13.8023238568       21.1025155117
  C        16.8805467812       12.8584382953       20.1234018925
  H        16.7573394419       11.9195083569       20.6608235353
  C        17.9310749375       13.0002495907       19.1954315984
  C        18.0640095557       14.2047782373       18.4901536965
  H        18.8519677105       14.3256548406       17.7486554974
  C        17.1808895160       15.2530804250       18.7360130980
  H        17.2889189542       16.1638262092       18.1574407529
  C        20.7582466908       10.3419311838       20.4196078065
  H        21.5426936367       10.5610985370       19.6822759142
  H        20.3025512335        9.3746071777       20.1682473731
  C        21.2880874447       10.3673489105       21.8415167447
  H        22.0670782823        9.6011539259       21.9649597679
  H        20.4879322238       10.1624881840       22.5643899332
  H        21.7270695661       11.3449455725       22.0793852237
  C        17.5026433859       10.2143206212       17.3677784537
  H        16.9767005615       11.1564560960       17.1601993698
  H        18.2628677746       10.0654033627       16.5925422557
  C        16.5332893266        9.0533995025       17.4432287313
  H        16.0392490225        8.9397833276       16.4667743197
  H        15.7514582068        9.2185817742       18.1956952797
  H        17.0587986125        8.1174879141       17.6722662084
  P         9.7301556376       11.8142355684       20.5238925414
  O         9.0340455032       11.5525279611       19.2380419933
  O         8.8556833154       12.3420716090       21.7583921410
  O        10.4339701994       10.5110746879       21.1726653439
  C        12.9560780316       15.1091255850       20.2747838169
  C        12.5551713416       14.4148165904       19.1195328416
  H        12.9915394479       14.6817442078       18.1570281054
  C        11.5702908967       13.4234893952       19.1954665462
  H        11.2280734862       12.9153605813       18.2936141061
  C        10.9909165535       13.0948398057       20.4330536396
  C        11.4120760716       13.7646098148       21.5953293545
  H        10.9675209577       13.5103763645       22.5553491677
  C        12.3739955008       14.7673476874       21.5115510223
  H        12.6849140497       15.3055690800       22.4057134646
  C        11.2482864895        9.6962610162       20.2542003415
  H        11.8983305136       10.3533534818       19.6611017117
  H        10.5781020502        9.1850893174       19.5536553257
  C        12.0651324254        8.7180729973       21.0750088792
  H        12.6700528257        8.1061022883       20.3900412906
  H        11.4186426777        8.0528994327       21.6618922251
  H        12.7376917272        9.2420025778       21.7661755964
  C         7.6339744274       11.6145817130       22.1275254170
  H         6.9663856692       11.6039479466       21.2558519060
  H         7.9086000983       10.5816699242       22.3806618329
  C         7.0103703371       12.3457122799       23.3015268007
  H         6.0839315188       11.8384029415       23.6079036132
  H         6.7598638315       13.3778424232       23.0238165562
  H         7.6891942187       12.3637662819       24.1637110682
  P         5.6881525293       15.6536470707       20.6991005811
  O         4.6589144674       16.0895850565       19.7255309204
  O         5.2250004458       15.4242907024       22.2274918896
  O         6.3638926805       14.2182563166       20.3760458628
  C         9.1450984965       18.6932235877       21.1838051888
  C         8.0016211816       18.9927985341       20.4149497757
  H         7.9484441017       19.9474254341       19.8952361216
  C         6.9606354590       18.0727075881       20.2900352649
  H         6.0834981765       18.3035510579       19.6871336407
  C         7.0388737511       16.8218034793       20.9251980768
  C         8.1669999283       16.5147831421       21.7049454604
  H         8.2420133081       15.5451067785       22.1958626870
  C         9.1967565228       17.4454390527       21.8435314885
  H        10.0534774613       17.2087628227       22.4716335766
  C         6.4030450231       13.7354359671       18.9858045086
  H         7.3553980561       13.1962681824       18.9030023060
  H         6.4093908823       14.5943237316       18.3034426682
  C         5.2152815572       12.8274505133       18.7131764881
  H         5.2902750979       12.4078362613       17.6985950218
  H         4.2730356051       13.3857157109       18.7908174353
  H         5.1927306939       11.9884176683       19.4214312501
  C         4.0610341588       14.5579066715       22.4487053528
  H         3.2181927867       14.9538345637       21.8660391550
  H         4.2991267397       13.5523820196       22.0732608123
  C         3.7727529555       14.5503412247       23.9391027311
  H         2.9019684198       13.9132729629       24.1507234497
  H         3.5535066438       15.5632089994       24.3011024923
  H         4.6290228393       14.1601080736       24.5047974147
  P         5.9014400284       25.0852650456       22.5736550251
  O         4.5881150938       24.6000818674       23.0448552746
  O         5.9386433576       26.0496341037       21.2768402572
  O         6.6436478038       25.9189572122       23.7472473395
  C         9.1000311457       21.9140025962       21.5578928363
  C         8.1844171743       21.7231012884       22.6108555053
  H         8.2848497432       20.8473579033       23.2495757618
  C         7.1848754025       22.6631607059       22.8603888418
  H         6.4910741493       22.5204259535       23.6879388490
  C         7.0763285541       23.8175411391       22.0635441203
  C         7.9472136857       23.9839731960       20.9754585797
  H         7.8471324393       24.8603527875       20.3388709191
  C         8.9378238233       23.0361576006       20.7211033336
  H         9.6065840047       23.1600789568       19.8708813956
  C         5.1336958962       27.2778016707       21.3099723982
  H         4.0871104402       26.9944861048       21.1364272952
  H         5.2064666882       27.7278413028       22.3101642545
  C         5.6705618259       28.2145358286       20.2421978566
  H         5.0420191421       29.1155966165       20.1891973167
  H         5.6540513638       27.7329098587       19.2560737535
  H         6.6968858364       28.5319968428       20.4740913650
  C         7.9546615022       26.5288673922       23.4966567124
  H         7.8882743839       27.1950683706       22.6272491592
  H         8.6764187865       25.7311708382       23.2696042300
  C         8.3538471487       27.3041512481       24.7400015448
  H         9.3363451147       27.7721484056       24.5808477973
  H         8.4169898969       26.6481913369       25.6174909941
  H         7.6293844077       28.1012358865       24.9511374028
  P        10.0796357821       29.5888240127       21.8023034291
  O         8.6186682765       29.3603176233       21.8201955236
  O        10.7150066352       30.3731048368       23.0640862247
  O        10.4633690620       30.4682520819       20.4983059854
  C        12.7843614505       25.8590306410       21.4536566049
  C        13.1211742794       26.8871407087       22.3579297282
  H        14.0401030727       26.8020855606       22.9347903524
  C        12.3036918407       28.0051461341       22.5129402051
  H        12.5826875611       28.7931212921       23.2088583361
  C        11.1141556255       28.1208153086       21.7722461933
  C        10.7486679274       27.0843432999       20.8953198285
  H         9.8213813853       27.1608415431       20.3284726012
  C        11.5761974961       25.9739276339       20.7346289641
  H        11.3056607473       25.1977593874       20.0212975109
  C        10.0473534880       31.6011878217       23.5108728464
  H         9.8946427544       32.2611702820       22.6452501166
  H         9.0612974997       31.3264790297       23.9086129437
  C        10.9348635263       32.2456955596       24.5604687502
  H        10.4649540002       33.1654806856       24.9378308412
  H        11.9150676364       32.5099756732       24.1417690425
  H        11.0928174811       31.5689249567       25.4103612889
  C        11.8310936165       30.9393948790       20.2699669030
  H        12.3620305141       31.0031513176       21.2289247313
  H        11.7146348686       31.9599917444       19.8819874063
  C        12.5677535780       30.0503602271       19.2773251160
  H        13.5560605487       30.4821134340       19.0580615691
  H        12.0097024711       29.9708054239       18.3357263899
  H        12.7176655583       29.0404355955       19.6797920209
  P        18.2414934157       29.9566873009       20.4802851711
  O        19.4955727254       29.9337710807       21.2702015012
  O        17.1403289664       31.0728374839       20.8552170368
  O        18.3578402672       30.3354989543       18.9212095417
  C        15.8787384355       25.9971899557       20.8662878662
  C        15.4415284071       27.0181308867       19.9936331482
  H        14.5208916460       26.8696981582       19.4322191378
  C        16.1696283129       28.1933749228       19.8471859460
  H        15.8147367190       28.9746649262       19.1762695953
  C        17.3632196337       28.3840502129       20.5678836131
  C        17.8246434870       27.3626245391       21.4124804366
  H        18.7502092054       27.5167156963       21.9658582401
  C        17.0908686761       26.1815836119       21.5589138214
  H        17.4374677695       25.4067010588       22.2409358343
  C        16.6296373953       31.0628334430       22.2299308357
  H        17.0865174285       30.2389797248       22.7962683867
  H        16.9620956148       32.0038067804       22.6875339472
  C        15.1144537655       30.9453970373       22.1967538020
  H        14.7043887107       31.0079326012       23.2158353271
  H        14.8019319733       29.9875340852       21.7593583880
  H        14.6771284106       31.7579270502       21.6016274609
  C        19.4645198124       29.7026770387       18.1879063060
  H        20.3992226889       30.1836446656       18.5047584873
  H        19.5214629077       28.6388021904       18.4584063937
  C        19.2022039899       29.8758817969       16.7041009621
  H        20.0178475511       29.4116365207       16.1301787556
  H        19.1444226819       30.9378510326       16.4331603434
  H        18.2610277104       29.3922408845       16.4112014949
 Zn        20.5737232592       14.5907624830       14.5846555541
  O        20.9521947798       14.2321994644       16.6534183536
  H        20.7540573005       13.3385434089       17.0376162925
  H        21.8461627037       14.5467763674       16.9627162901
  N        18.4765535287       14.5764296486       14.6829292513
  C        17.6534290093       15.6304451742       14.9888805811
  C        16.2953960781       15.1478242859       15.2497966811
  C        16.3416338189       13.7731375426       15.0738130561
  C        17.7102437183       13.4389536069       14.7090340387
  C        18.0561388476       16.9715581851       15.0322579774
  H        17.2684048477       17.7084086285       15.1587872469
  N        20.4593469168       16.6906447922       14.6451064129
  C        19.3602626241       17.4644070165       14.9199995315
  C        19.7516586193       18.8739020021       15.0360691362
  C        21.1139004906       18.9060883336       14.7889421955
  C        21.5331325542       17.5344551362       14.5472793373
  C        22.8515462383       17.1589819734       14.2691912097
  H        23.5848467894       17.9610390222       14.2844875286
  N        22.5445396650       14.7523456716       13.9512760702
  C        23.3267826300       15.8765588028       13.9837260850
  C        24.7291455225       15.5224114435       13.7603397157
  C        24.7599736567       14.1425549479       13.6297357991
  C        23.3752696398       13.6857778143       13.7304416431
  C        22.9573970641       12.3557830691       13.6014266279
  H        23.7323677531       11.6317352334       13.3597429334
  N        20.5440870625       12.6076200793       14.0088840711
  C        21.6626159187       11.8498165189       13.7753510507
  C        21.3013374829       10.4384527328       13.7455581993
  C        19.9299927557       10.3791382360       13.9600495443
  C        19.4786034455       11.7534687427       14.1325275221
  C        18.1744957484       12.1417616729       14.4613260365
  H        17.4388503807       11.3453295551       14.5518824053
  P        11.5476110991       18.7588606416       16.4914049093
  O        11.7817848313       19.7258718648       17.6063711417
  O        10.2344979543       17.8517837738       16.6614397189
  C        10.1194404536       17.0841036733       17.9181942747
  H        11.1023288455       16.6604372099       18.1687703542
  H         9.8344330170       17.7859573449       18.7103527108
  C         9.0843828188       15.9950507851       17.7247059009
  H         8.9825346078       15.4249526172       18.6599525707
  H         8.1040545932       16.4220234783       17.4765571897
  H         9.3781616423       15.2979299678       16.9292509605
  O        11.2984350437       19.4158946565       15.0510632950
  C        10.7187136281       20.7660782991       14.9740873867
  H        10.1124096865       20.9574872706       15.8685206835
  H        10.0524807915       20.7314291864       14.1030395118
  C        11.8230516009       21.7998687605       14.8112233466
  H        11.3831376012       22.7961618980       14.6552938609
  H        12.4641255313       21.8438763926       15.7017336352
  H        12.4546092148       21.5636911183       13.9447995939
  C        15.1311607936       15.9708289276       15.6051002614
  C        13.8567075091       15.6988180003       15.0574773038
  H        13.7383734086       14.8532384007       14.3830059577
  C        12.7623959534       16.5123648732       15.3449878107
  H        11.7917457053       16.2923904785       14.9031393938
  C        12.9078568293       17.6295418657       16.1898827997
  C        14.1557343432       17.8885524469       16.7737592485
  H        14.2812709644       18.7287061375       17.4539761201
  C        15.2408213321       17.0655042617       16.4856757081
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  H        16.7116941502       25.0986055604       18.3996810656
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  H        24.3984872025       25.9547227870       15.4581628734
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  H        24.9450192104       17.9512070174       12.5290687652
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  H        28.5703337956       20.5498206749       16.6932682383
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  H        29.7111340548       22.7161912656       17.3264734486
  H        30.7256348105       21.7379919148       16.2320752227
  H        29.8261422118       23.1516762992       15.6086556236
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  H        30.7206571511       21.5972317884       12.9170744554
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  H        29.3705555286        7.4518811509       15.7752445868
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  H        18.0357956359        3.1515220708       12.3179089834
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  H        20.1970435224        5.1717038723       13.2350683861
  H        20.3217648769        3.4024566342       13.4046482945
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  H        14.5996180600        4.9634583676       16.4919480794
  H        15.4683147622        6.5131196291       16.5481714283
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  H        14.9675413186        5.7181009544       18.8701614352
  H        15.8622377917        4.2057329261       18.5605796952
  H        16.7250639642        5.7627487086       18.5953318017
