     512
 i =      119, E =     -2386.2801482444
 Zn        20.6679556609       17.6615007940       19.6009997668
  O        21.0166452666       17.7009388828       17.4062872327
  H        21.6222076402       16.9896417418       17.0835764101
  H        21.4165616195       18.5619069477       17.1194153826
  N        19.4606269776       15.9948497391       19.9345063980
  C        18.0903279885       15.9708949137       19.8430010215
  C        17.6155533229       14.5889745733       19.8620430650
  C        18.7356833438       13.7926694558       20.0264851923
  C        19.8836457395       14.6939950276       20.0458911273
  C        17.2757380489       17.1102467393       19.8150799401
  H        16.2003135836       16.9407796819       19.8172829029
  N        19.0097587632       18.8605785028       19.8244069378
  C        17.7022256674       18.4452486034       19.8348719091
  C        16.8159182111       19.6017444062       19.9144309650
  C        17.6354337661       20.7241159762       19.9418517622
  C        19.0110999375       20.2305414755       19.8737327282
  C        20.1506530048       21.0464819518       19.8588201433
  H        19.9678664862       22.1172383117       19.8580363720
  N        21.8963593133       19.3354541224       19.7859494666
  C        21.4883451217       20.6422985575       19.7733539744
  C        22.6264453828       21.5214102978       19.4852202685
  C        23.7025781259       20.6818736528       19.2476638154
  C        23.2310003615       19.3222471456       19.4778799304
  C        24.0318328570       18.1761787343       19.3991284445
  H        25.0857582551       18.3356509471       19.1789780731
  N        22.3480294808       16.4471690938       19.8625033444
  C        23.6230807210       16.8476090290       19.5543303015
  C        24.4886919951       15.6833833575       19.4202445004
  C        23.7042623365       14.5750006017       19.6989926052
  C        22.3563551623       15.0796991268       19.9316875690
  C        21.2182557375       14.2757080235       20.0408923936
  H        21.3856496543       13.2017149248       20.0438571096
  P        11.6331078148       13.6701759187       19.7032217909
  O        10.9791537191       13.8113621872       18.3641191646
  O        11.2150617342       12.3423581101       20.5177779735
  C        11.2610950516       11.0305062127       19.8547835184
  H        12.2168629752       10.5638936717       20.1302238534
  H        11.2436460010       11.1709755282       18.7665900268
  C        10.0717360955       10.2125830377       20.3253553171
  H        10.0679210090        9.2287524582       19.8325776090
  H         9.1285366503       10.7152203306       20.0721443888
  H        10.0985442773       10.0613286036       21.4119822390
  O        11.2881613511       14.7974387329       20.7862947064
  C         9.9211407063       14.9981290463       21.2834552931
  H         9.5163960071       14.0265919128       21.5969836247
  H        10.0638803284       15.6179438937       22.1777587812
  C         9.0321750991       15.6941721121       20.2633530202
  H         8.0804623070       15.9769440224       20.7378980861
  H         8.8111274552       15.0429562749       19.4094901651
  H         9.5136423300       16.6026921800       19.8791145096
  C        16.2017049717       14.2044059969       19.7523931906
  C        15.5714246965       13.4278760940       20.7454131068
  H        16.1663346811       13.0360044707       21.5685797122
  C        14.1935802681       13.2156799748       20.7100977056
  H        13.7070391701       12.6593266093       21.5095447855
  C        13.4204156712       13.7515682571       19.6623461627
  C        14.0538841092       14.4496414379       18.6216252783
  H        13.4753634603       14.8473318087       17.7916904099
  C        15.4270991830       14.6750350236       18.6741860429
  H        15.9078431423       15.2289005773       17.8709755163
  P        20.2104669076        7.9068623108       19.9604104875
  O        20.3749343421        7.4099111752       18.5706216458
  O        21.5149474497        7.9697856918       20.8847245162
  O        19.2251678691        6.9998186489       20.8640816917
  C        18.8892307484       12.3320069204       20.0920566243
  C        18.4599490092       11.4850964048       19.0517522394
  H        17.8791089423       11.9016350424       18.2295336477
  C        18.8460406616       10.1419935684       19.0262838161
  H        18.5675734470        9.5082132944       18.1842171013
  C        19.6434924889        9.6125953508       20.0575269838
  C        19.9981199232       10.4305722045       21.1430064659
  H        20.5956861421       10.0196167792       21.9535209922
  C        19.6273999482       11.7724200062       21.1548273347
  H        19.9360497766       12.4158607964       21.9770589606
  C        18.0124888189        6.4238497168       20.2545131427
  H        18.1561127218        6.3323038137       19.1712561857
  H        17.9362959865        5.4202400577       20.6912120122
  C        16.7930398193        7.2733389953       20.5782989707
  H        15.8979705679        6.7986947526       20.1499932773
  H        16.8802792536        8.2723488210       20.1322181468
  H        16.6545989889        7.3824912383       21.6611894923
  C        22.2391069907        6.7184980531       21.1816465743
  H        21.9549112559        5.9581566513       20.4420033416
  H        23.2978554454        6.9713507678       21.0414927174
  C        21.9406127810        6.2709889580       22.6030210979
  H        22.5215288085        5.3664808547       22.8369183349
  H        20.8745470864        6.0467578055       22.7329989110
  H        22.2258630600        7.0489764637       23.3232322077
  P        10.7751794399       19.4597792312       19.1789065627
  O        10.3181576958       18.4439629431       18.1911944271
  O        10.4981540045       20.9364467248       18.5928868037
  O        10.0320003779       19.4036169389       20.6074902272
  C        15.3440080172       19.5087405174       19.8417314691
  C        14.4922873889       19.9251979966       20.8834506008
  H        14.9246086378       20.2829915498       21.8144021357
  C        13.1021534347       19.8580018782       20.7525088935
  H        12.4646075332       20.1720980272       21.5774286934
  C        12.5246099708       19.3760216894       19.5648739003
  C        13.3651147290       18.9008389887       18.5409755637
  H        12.9404926267       18.4932762040       17.6260466977
  C        14.7482298746       18.9507874134       18.6921847512
  H        15.3828016888       18.5568843830       17.9008163702
  C         8.5519413715       19.3790359638       20.5471744228
  H         8.2511624824       18.5253779395       19.9280977206
  H         8.1977327385       20.2904827894       20.0474273906
  C         8.0246797086       19.2733649058       21.9629024747
  H         6.9243532322       19.2751852970       21.9383879664
  H         8.3503807728       20.1241697653       22.5762539499
  H         8.3656619541       18.3489758433       22.4472604934
  C        10.8539778338       22.1382275814       19.3558513467
  H        11.6489823366       21.9030634282       20.0756670658
  H        11.2846587539       22.8234774208       18.6147485056
  C         9.6377588436       22.7502993417       20.0323605602
  H         9.9022831415       23.7352404575       20.4451027915
  H         9.2832096397       22.1241806989       20.8603436139
  H         8.8157001564       22.8917230312       19.3176518495
  P        16.4336503742       26.6822631268       20.3816170255
  O        16.8894421052       27.5119605216       19.2399650973
  O        17.0538594443       27.0293472843       21.8250430004
  O        14.8478326296       26.7853300371       20.6971914831
  C        17.2893077802       22.1527746857       20.0170186530
  C        17.7935132658       23.0700659306       19.0714147371
  H        18.3980882955       22.7078090034       18.2408298230
  C        17.5480003767       24.4394767425       19.1881792548
  H        17.9310503494       25.1346830788       18.4449425632
  C        16.7674914154       24.9210588320       20.2482692032
  C        16.2449830719       24.0191621852       21.1909238743
  H        15.6407469460       24.3889299203       22.0175583074
  C        16.5137671631       22.6572272604       21.0805675085
  H        16.1541743111       21.9740793026       21.8449969321
  C        13.9213440645       26.9058541026       19.5654009298
  H        14.2644556160       27.7311662578       18.9272374134
  H        12.9732803103       27.1968962209       20.0350776545
  C        13.7817374666       25.6165011343       18.7643849932
  H        12.9890589424       25.7365207190       18.0104003771
  H        13.5190253161       24.7691362517       19.4112815124
  H        14.7114297696       25.3743067303       18.2312247006
  C        17.7294877993       28.3215505988       22.0150718935
  H        17.2633089367       29.0742576232       21.3666536131
  H        17.5261859865       28.5868787464       23.0601674116
  C        19.2167932419       28.1860106661       21.7295986913
  H        19.7301052684       29.1400511901       21.9205892860
  H        19.3912923676       27.9161175530       20.6794316302
  H        19.6699875243       27.4204785992       22.3728443968
  P        21.7676312770       27.3776951548       18.1758847775
  O        22.4053843070       27.7540010695       16.8892022480
  O        22.0688014663       28.3918741836       19.4061648261
  O        20.1664545067       27.3125493235       18.2231676690
  C        22.5508205535       22.9730617201       19.2908713734
  C        23.1790672835       23.5730646336       18.1811109586
  H        23.7671037718       22.9523473769       17.5090322997
  C        23.0017832868       24.9259437560       17.9048115974
  H        23.4516664939       25.3776885264       17.0217397525
  C        22.1809168263       25.7161527662       18.7259299145
  C        21.6053800185       25.1472769180       19.8740889076
  H        20.9823313973       25.7547038166       20.5291477473
  C        21.8004813393       23.7962915718       20.1582684885
  H        21.3564792224       23.3645449289       21.0534807215
  C        19.3661897303       28.1172051983       17.2833894580
  H        18.4401874858       27.5402036438       17.1716075667
  H        19.9032725321       28.1497439621       16.3268979018
  C        19.0967684381       29.5067536870       17.8352355170
  H        18.4804483483       30.0718133359       17.1197164327
  H        20.0286647436       30.0628834524       17.9981155285
  H        18.5409005136       29.4373551197       18.7785407385
  C        23.4092302057       28.9704312097       19.5243096520
  H        23.7662927303       29.2323513445       18.5194940243
  H        23.2533860644       29.8976824215       20.0905714904
  C        24.3736861988       28.0348804919       20.2427239113
  H        25.3355583067       28.5433419490       20.4054954907
  H        24.5656779683       27.1267828917       19.6561938646
  H        23.9742153174       27.7318425725       21.2192987707
  P        29.4819255144       21.3443962498       17.5254375791
  O        30.1698985417       22.6482579430       17.6339696001
  O        29.5316342102       20.6151387109       16.0842141630
  O        30.1074352493       20.2993608982       18.5930739562
  C        25.0525857934       20.9856421717       18.7532954213
  C        25.9251583172       21.8723974970       19.4124497976
  H        25.5737271927       22.4058902877       20.2939684774
  C        27.2378682314       22.0353819100       18.9691022646
  H        27.9186627960       22.6968854815       19.5035687812
  C        27.7102573583       21.3180588461       17.8536591062
  C        26.8234858783       20.4878068773       17.1488125046
  H        27.1729773255       19.9538654428       16.2676490995
  C        25.5098306687       20.3313644558       17.5904996734
  H        24.8141300559       19.6940535427       17.0459214441
  C        30.7818176887       20.6584687607       15.3132709036
  H        30.4605185810       20.4731744174       14.2808172887
  H        31.1876998135       21.6768367537       15.3777411231
  C        31.7829609672       19.6113780204       15.7826367798
  H        32.6525279200       19.6104624115       15.1085598639
  H        31.3407962489       18.6053030777       15.7800878798
  H        32.1419299151       19.8365521100       16.7952813997
  C        29.6294399269       18.9135641047       18.6602083451
  H        30.5361743954       18.2978516322       18.7240099128
  H        29.1300858158       18.6434864532       17.7214868102
  C        28.7251870309       18.7123490475       19.8666079145
  H        28.4355478300       17.6538880778       19.9410777252
  H        27.8090698364       19.3109393895       19.7833726499
  H        29.2391778427       18.9982952715       20.7930750237
  P        30.1146370581       15.2998364048       17.1510030891
  O        30.5034619627       16.4018611197       16.2437587429
  O        31.0640411499       15.0326760189       18.4352503711
  O        30.1082185268       13.9080527679       16.3220002444
  C        25.8855115009       15.6776331422       18.9655737578
  C        26.8869931941       14.9878039446       19.6774964241
  H        26.6318480468       14.5198483470       20.6264950030
  C        28.1839064439       14.8875425472       19.1744198345
  H        28.9473259403       14.3595322472       19.7423867277
  C        28.5118377685       15.4770010830       17.9398621173
  C        27.5275629521       16.1980909941       17.2398835790
  H        27.7873285000       16.6701392741       16.2931343888
  C        26.2330921765       16.2985794921       17.7482003100
  H        25.4605083195       16.8204820691       17.1850719942
  C        32.5153138625       14.9905059945       18.2157850382
  H        32.8874941162       14.2745252385       18.9600002547
  H        32.7213792388       14.5829413228       17.2162697814
  C        33.1296715195       16.3713350855       18.3953646725
  H        34.2240428088       16.3136646072       18.2967862990
  H        32.8966261532       16.7769405933       19.3885398817
  H        32.7487728965       17.0652953070       17.6344321126
  C        29.7309293253       12.6400310599       16.9456638156
  H        29.7833832633       12.7264862991       18.0397258036
  H        30.5011761383       11.9224059306       16.6323879654
  C        28.3471001180       12.2164694258       16.4773069872
  H        28.1009376352       11.2187651509       16.8713200010
  H        28.3066983932       12.1732900467       15.3815278540
  H        27.5818875263       12.9216638040       16.8276988249
  P        25.3122729099        8.7269034503       19.3382071816
  O        25.2335382973        7.9768130589       20.6180929813
  O        26.7965717248        8.7173733729       18.6726194380
  O        24.4238148297        8.2187267382       18.1065095088
  C        24.0863879854       13.1607569728       19.6251859949
  C        24.8025078464       12.6837633468       18.5082909545
  H        25.0461863392       13.3753307741       17.7052666067
  C        25.1646313605       11.3458737941       18.4158326854
  H        25.7196616265       10.9899439207       17.5501620015
  C        24.8127173882       10.4441209974       19.4355317659
  C        24.0870343292       10.9005504044       20.5462485970
  H        23.8125831739       10.1958516346       21.3296542873
  C        23.7333634941       12.2484999236       20.6393485367
  H        23.1905331872       12.6079592822       21.5120542210
  C        27.9565701165        8.7339761545       19.5663833881
  H        27.7724154425        8.0287807241       20.3876147035
  H        28.7780187594        8.3468895298       18.9499424723
  C        28.2617610811       10.1319380423       20.0918737535
  H        29.1875127960       10.1115036352       20.6858442758
  H        27.4531718625       10.5019301068       20.7363041681
  H        28.3928513912       10.8485505179       19.2702392050
  C        24.4528693025        6.7979128270       17.7291669554
  H        25.4003482820        6.6074453792       17.2070445095
  H        24.4311646231        6.1923771725       18.6456521662
  C        23.2406431175        6.5384782932       16.8531860478
  H        23.2302101441        5.4876154938       16.5303587875
  H        23.2669780121        7.1698828319       15.9550194200
  H        22.3113621748        6.7466849196       17.4029691208
 Zn        11.9112851125       16.3699002905       14.9941303465
  O        11.7045672214       16.3138651016       17.2056292596
  H        11.1356911129       17.0428179264       17.5699107119
  H        11.3244977311       15.4658022424       17.5425682897
  N        11.7541141057       18.4434571676       14.7637420400
  C        12.7911606988       19.3429825231       14.7694826737
  C        12.2751370100       20.6998998985       14.8844328062
  C        10.8913337932       20.5956849178       14.9256047420
  C        10.5942894285       19.1656062230       14.8940196596
  C        14.1490775461       19.0062625771       14.7110848099
  H        14.8568299716       19.8322405462       14.6813681450
  N        13.9772252757       16.5490265234       14.7433892033
  C        14.6959651511       17.7211703404       14.7422725666
  C        16.1199203045       17.4277601460       14.8167100480
  C        16.2335937702       16.0463731082       14.8657978085
  C        14.8821857857       15.5160276367       14.8103186355
  C        14.5563792022       14.1579842663       14.8834230113
  H        15.3911316005       13.4658262253       14.9865679617
  N        12.0980940849       14.3143886480       14.8310949210
  C        13.2718362626       13.6031601833       14.8948554416
  C        12.9857204710       12.1919429512       15.1191493178
  C        11.6098704697       12.0792088202       15.2257491636
  C        11.0713558939       13.4250030237       15.0330478776
  C         9.7212896603       13.7704635954       15.1431639892
  H         9.0277443891       12.9502874187       15.3142514191
  N         9.8261282563       16.2206630289       14.8898159057
  C         9.1762507931       15.0609809993       15.2154076603
  C         7.8682753118       15.3653467164       15.7810791034
  C         7.7501931890       16.7464526221       15.7938798568
  C         8.9944268642       17.2612435487       15.2244771911
  C         9.3389424673       18.6131396015       15.1650530918
  H         8.5718070170       19.3190080605       15.4696046328
  P        16.0958739724       25.4097497251       15.1593928955
  O        16.7807334582       25.6152859838       16.4541869735
  O        15.3003982628       26.6726073225       14.5494607399
  C        15.9445679434       27.9949524522       14.6756241594
  H        17.0331555470       27.8765653779       14.5845922127
  H        15.5871364856       28.5544691664       13.8020812791
  C        15.5598042040       28.6624768754       15.9868099268
  H        15.9843302871       29.6771256300       16.0229929309
  H        14.4689715071       28.7489265984       16.0720290718
  H        15.9433797743       28.0992219330       16.8493770357
  O        17.2116509430       24.9918539347       14.0594268755
  C        16.8563490692       24.5374724196       12.7137180897
  H        17.5819520686       25.0239407076       12.0486289874
  H        15.8583646272       24.9081415720       12.4437657343
  C        16.9415309698       23.0200350307       12.6262125760
  H        16.7469886945       22.6898272270       11.5951782426
  H        17.9394421082       22.6652064134       12.9164515652
  H        16.2028799327       22.5411509669       13.2821925295
  C        13.1153198741       21.9003861914       14.9908206588
  C        12.9326573483       23.0042483165       14.1350397603
  H        12.1301134383       22.9759484334       13.4000513817
  C        13.7774878641       24.1114708763       14.2091636242
  H        13.6271161096       24.9564662756       13.5399069539
  C        14.8328397481       24.1363020916       15.1390424898
  C        14.9882602956       23.0651125841       16.0363916490
  H        15.7754022325       23.1038118889       16.7899251476
  C        14.1323910628       21.9667080670       15.9669833766
  H        14.2380055579       21.1504921044       16.6808260878
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  H        21.3626016024       11.4666054782       18.0341960337
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  C        15.9564586006        9.9100325650       14.5648610237
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  H        20.3295518666        7.8434813518       16.3382737550
  H        19.3633852998        6.5027328331       15.7267105951
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  H        19.5619513654        7.3693421474       13.3667245236
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  H        16.2212177925        4.9409423845       14.0983084953
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  H         6.1691746712        8.8799534664       17.2868558189
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  H         1.6648653089       10.4052522501       18.9996785990
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  H         2.6568291845       19.8020653678       21.9902585891
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  H         1.1714293319       18.1397040564       20.7819555224
  H         2.2811824538       18.1685331737       19.3919840192
  H         2.8255182251       17.5063615670       20.9572894224
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  H         4.4365721497       23.0791927172       20.0727296934
  H         6.0902290962       23.5314678889       19.6137510947
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  H         5.3139812134       21.9342147974       22.1605185539
  H         6.9728726923       22.3917625921       21.7075193698
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  C        20.0790878502       24.6273280233       16.0314254307
  H        18.7430732774       22.9613059424       15.6424618798
  H        20.0295159246       23.1507339218       14.4310182934
  H        19.9691622598       24.6611993983       17.1220150568
  H        19.3534652152       25.3299172693       15.6006829687
  H        21.0930896849       24.9627763333       15.7852414176
