     256
 i =      151, E =     -1193.0542929409
 Zn        16.6914517174       17.4179336981       17.1723112510
  O        16.1590827021       17.7829429422       14.8715970698
  H        16.1766095713       18.7559824659       14.8534114692
  H        15.2126755345       17.5550579739       14.8680461347
  N        18.7348655446       17.5118149484       16.9314650919
  C        19.5569297877       16.4546653519       16.6278667132
  C        20.9054575504       16.9376221338       16.3484358163
  C        20.8731805222       18.3112839393       16.5195578477
  C        19.5010473637       18.6514513360       16.8734438197
  C        19.1687240676       15.1100654954       16.6139491938
  H        19.9585827128       14.3832388239       16.4370913018
  N        16.7727797889       15.3665086212       17.0866978729
  C        17.8777362206       14.6032027620       16.7946031137
  C        17.5026655627       13.1918230080       16.7256327524
  C        16.1480958814       13.1372569342       17.0091027587
  C        15.7072523526       14.5105341972       17.2072292021
  C        14.3766917550       14.8891931987       17.4160725897
  H        13.6447897582       14.0849144681       17.4009055374
  N        14.6650604395       17.3158294819       17.6177406685
  C        13.8863788003       16.1818234371       17.6236659233
  C        12.4824077287       16.5366849611       17.8225752360
  C        12.4446726656       17.9203012935       17.9237562924
  C        13.8236005839       18.3846596780       17.8118732549
  C        14.2332363782       19.7192988389       17.9079434400
  H        13.4558014522       20.4443088979       18.1384263616
  N        16.6465764253       19.4671184801       17.4891707727
  C        15.5244580656       20.2272846861       17.7246526744
  C        15.8829391334       21.6376366293       17.7516146858
  C        17.2542565280       21.7016060220       17.5380360272
  C        17.7114015434       20.3312236411       17.3691871573
  C        19.0232756789       19.9516834811       17.0628620520
  H        19.7467685822       20.7556361884       16.9396802287
  P        25.5897394790       13.3178890001       14.9180450065
  O        25.4034451633       12.6031581769       13.6336601964
  O        26.9332184763       14.2180723511       15.0316066872
  C        27.1950190684       15.1532853038       13.9334906550
  H        26.2886256228       15.7470708680       13.7419345501
  H        27.4166598529       14.5708023856       13.0293061706
  C        28.3566246275       16.0393854606       14.3495257211
  H        28.6006882477       16.7452950633       13.5424533589
  H        29.2512260295       15.4400504085       14.5632065805
  H        28.1083492152       16.6199742520       15.2478728867
  O        25.7237437093       12.4280272349       16.2452991777
  C        26.2638032781       11.0628517264       16.1302546839
  H        26.8946395864       10.9941308588       15.2348631289
  H        26.9003600475       10.9428322292       17.0159383452
  C        25.1290869327       10.0535153973       16.0907557818
  H        25.5399424546        9.0325275146       16.0945548887
  H        24.5166043479       10.1672704870       15.1864167810
  H        24.4738885601       10.1618158385       16.9649697368
  C        22.0534285932       16.0973862033       15.9815038140
  C        23.2795019352       16.2231309894       16.6652022312
  H        23.3704079627       16.9639727626       17.4572295967
  C        24.3585356565       15.4005216040       16.3469051213
  H        25.2996707736       15.5008399056       16.8852341071
  C        24.2364280631       14.4322003968       15.3350745981
  C        23.0294009019       14.3194541931       14.6278591530
  H        22.9551783116       13.5851843424       13.8266710517
  C        21.9513652899       15.1456413991       14.9474049518
  H        21.0236423873       15.0724585898       14.3823946020
  P        25.1557530127       22.5028643296       15.4186789315
  O        24.9074994412       23.2166082468       14.1414093056
  O        25.2406511303       23.4488596396       16.7264990554
  O        26.5294128905       21.6745499980       15.5242315744
  C        21.9532144898       19.2849240853       16.2973202337
  C        22.6321953116       19.3214969307       15.0627690314
  H        22.3685674861       18.5982953748       14.2931962792
  C        23.6039694580       20.2880209624       14.8137036105
  H        24.0938973799       20.3314510456       13.8421163235
  C        23.9461066563       21.2252438601       15.8057694358
  C        23.2978761152       21.1744732146       17.0494929499
  H        23.5759228329       21.8817619532       17.8285689915
  C        22.3049937298       20.2210321372       17.2877893599
  H        21.8058516894       20.1848331182       18.2549642307
  C        27.7769613982       22.3537515581       15.1491653275
  H        27.6212698297       22.8660927216       14.1902000476
  H        27.9997308995       23.1082925242       15.9160538391
  C        28.8639563821       21.2967973241       15.0626221554
  H        29.8210457654       21.7626653520       14.7872283503
  H        28.6188447675       20.5424655162       14.3035179436
  H        28.9957502961       20.7862878248       16.0255185454
  C        24.3796128233       24.6390474885       16.7958868289
  H        24.4171668667       25.1467279682       15.8235338487
  H        23.3436145913       24.3146652758       16.9718452877
  C        24.8797543814       25.5164098198       17.9267871305
  H        24.1965537407       26.3696778548       18.0491128407
  H        25.8931586107       25.8846739953       17.7239527036
  H        24.9003353507       24.9596398146       18.8727937069
  P        21.3125972353        8.5824048722       15.5756257609
  O        22.2380197062        8.8661051053       14.4539296843
  O        20.3804772566        7.2662974578       15.3711203940
  O        21.9462563203        8.2582010610       17.0153962454
  C        18.4107189321       12.0713144590       16.4460614484
  C        18.3871617396       10.9134692128       17.2523814672
  H        17.6832644897       10.8594442490       18.0806162942
  C        19.2607148910        9.8565346290       17.0078035072
  H        19.2350768520        8.9703486606       17.6397054605
  C        20.1898345892        9.9346361715       15.9545925244
  C        20.2147420692       11.0761725911       15.1385931400
  H        20.9325111501       11.1241457944       14.3207177622
  C        19.3274746536       12.1268915147       15.3773471766
  H        19.3299651835       12.9952113929       14.7212014792
  C        22.9359421497        7.1765792996       17.1064769224
  H        23.6633193919        7.2996389730       16.2921862047
  H        22.4122857349        6.2213764918       16.9654870278
  C        23.5924906937        7.2698650202       18.4718300201
  H        24.3314585396        6.4640572808       18.5883861641
  H        22.8502320373        7.1728492353       19.2748097982
  H        24.1100285968        8.2303692533       18.5932473444
  C        19.6921047440        7.1347277955       14.0852203968
  H        19.0967555091        8.0423671222       13.9047664882
  H        20.4472984294        7.0603612280       13.2914576086
  C        18.8091702819        5.9006750816       14.1597438088
  H        18.2772676270        5.7589560984       13.2078258355
  H        18.0627941866        5.9975922483       14.9590498034
  H        19.4069994971        5.0007198270       14.3545254964
  P        12.0398926624        8.6521878526       17.1758854344
  O        11.4605616360        8.3883572107       15.8354102814
  O        11.0768137801        9.1748132774       18.3430650669
  O        12.6862053546        7.3355949206       17.8716038702
  C        15.2405082724       11.9809740867       17.0787917870
  C        15.0202522932       11.1513552400       15.9642853606
  H        15.5843683675       11.3293809362       15.0504666756
  C        14.0502197918       10.1479722170       16.0088386510
  H        13.8355473154        9.5503343157       15.1239852206
  C        13.3046966432        9.9311929912       17.1811936667
  C        13.5570512404       10.7218426121       18.3148299204
  H        12.9894803058       10.5523650572       19.2272772947
  C        14.5060807422       11.7408123916       18.2572504035
  H        14.6853985432       12.3693742311       19.1281669084
  C        13.5140911842        6.4737965287       17.0228984900
  H        14.3971403819        7.0448016549       16.6984491410
  H        12.9345533157        6.2012494067       16.1307945803
  C        13.9134819810        5.2592997076       17.8428238720
  H        14.5388407973        4.5867192388       17.2378310999
  H        13.0286787290        4.6989724970       18.1720447837
  H        14.4863469706        5.5528551997       18.7320070765
  C         9.8439257072        8.4402957041       18.6556655923
  H         9.1987008116        8.4645730277       17.7676767197
  H        10.1071187662        7.3981048377       18.8806784721
  C         9.1963612370        9.1359034335       19.8385680117
  H         8.2554012631        8.6302569161       20.1000074750
  H         8.9672089319       10.1805783526       19.5911761403
  H         9.8506450487        9.1133306605       20.7194277599
  P         7.9456858615       12.5007721551       17.3020110952
  O         6.9168449526       12.9350636603       16.3275952143
  O         7.4810692068       12.2538959192       18.8259473691
  O         8.6350935579       11.0732271723       16.9805377718
  C        11.3585942988       15.5870899797       17.7856057264
  C        10.2278533456       15.8589773494       16.9894667991
  H        10.1732061813       16.8021357230       16.4492958854
  C         9.1991818810       14.9250016302       16.8658136943
  H         8.3312870559       15.1307928528       16.2409812724
  C         9.2772899766       13.6908857431       17.5325833852
  C        10.3878170700       13.4173487082       18.3483509622
  H        10.4575968216       12.4631823338       18.8691353750
  C        11.4060216780       14.3608487738       18.4841145967
  H        12.2492750173       14.1510924864       19.1393581268
  C         8.9319731685       10.7499012380       15.5723598548
  H         9.8527392836       10.1536854032       15.6068510298
  H         9.1321459175       11.6785901136       15.0220527190
  C         7.7785181524        9.9743338476       14.9575940902
  H         8.0339070178        9.6760551877       13.9299995681
  H         6.8681431469       10.5870512094       14.9322210321
  H         7.5767887232        9.0596967039       15.5307826721
  C         6.2999260066       11.4085642897       19.0392731135
  H         5.4715640718       11.8136243641       18.4423492700
  H         6.5258414683       10.3963156085       18.6752553498
  C         5.9926168462       11.4181807921       20.5257612574
  H         5.1075015168       10.7988491020       20.7305442377
  H         5.7873756323       12.4376939210       20.8772463369
  H         6.8338844686       11.0165420717       21.1058867327
  P         8.1417566954       22.0076689250       19.2382452165
  O         6.8427494398       21.5146115204       19.7375040102
  O         8.1417565260       22.9713343761       17.9429439487
  O         8.9097627505       22.8417767482       20.3951412903
  C        11.3026570800       18.8213929433       18.1378206849
  C        10.4091028620       18.6324120646       19.2102357624
  H        10.5179791731       17.7534469467       19.8430732277
  C         9.4228447615       19.5788571867       19.4876209986
  H         8.7470086941       19.4363564028       20.3299620537
  C         9.3043985331       20.7386888757       18.6995989089
  C        10.1480753680       20.9016834854       17.5899306424
  H        10.0373814559       21.7796188123       16.9570357817
  C        11.1261195046       19.9475005750       17.3092881426
  H        11.7742440365       20.0749658646       16.4440002403
  C         7.3218899908       24.1904898980       17.9875972934
  H         6.2717686632       23.8893918340       17.8772938430
  H         7.4419291512       24.6657194245       18.9714955949
  C         7.7893386546       25.1052715738       16.8693410670
  H         7.1508793722       26.0000301368       16.8311112362
  H         7.7212496185       24.6000649510       15.8972879439
  H         8.8244471567       25.4352011310       17.0351499475
  C        10.1955178596       23.4866120644       20.1025287601
  H        10.0806260988       24.1571929341       19.2413276334
  H        10.9285684577       22.7097715224       19.8409185112
  C        10.6210268019       24.2596685932       21.3385282316
  H        11.5819388034       24.7595512674       21.1476405368
  H        10.7385092336       23.5962212850       22.2048691987
  H         9.8808737091       25.0305991120       21.5893051982
  P        12.2751031810       26.4959313862       18.3668341557
  O        10.8150887983       26.2828245217       18.2666024972
  O        12.8290926898       27.1897379990       19.7169145279
  O        12.7637297043       27.4386331423       17.1463246547
  C        14.9721492285       22.7690801694       17.9714916247
  C        15.3074349828       23.7817336129       18.8924887743
  H        16.2252686615       23.6881121182       19.4696934264
  C        14.4875044183       24.8948652239       19.0640609679
  H        14.7628723245       25.6698695310       19.7760874672
  C        13.3005158262       25.0217987021       18.3209124931
  C        12.9387678079       24.0019533813       17.4241516997
  H        12.0133128483       24.0897945580       16.8560734374
  C        13.7670949973       22.8939461092       17.2502735327
  H        13.4961470187       22.1277707810       16.5264650461
  C        12.1480274139       28.3955453929       20.2039148501
  H        12.0201645331       29.0980574256       19.3684520043
  H        11.1511049349       28.1010339465       20.5582393561
  C        13.0037375862       28.9850120837       21.3109025755
  H        12.5204603068       29.8819102908       21.7244035393
  H        13.9941902381       29.2731093811       20.9342804201
  H        13.1409090443       28.2634628064       22.1270248468
  C        14.1587694215       27.8713394146       17.0313910989
  H        14.6478810193       27.8056263986       18.0124898429
  H        14.1040976353       28.9327793982       16.7554792009
  C        14.8989283673       27.0600684892       15.9777493818
  H        15.9167098627       27.4589707263       15.8505427130
  H        14.3832533786       27.1142682090       15.0105502585
  H        14.9798007741       26.0059966506       16.2725611275
  P        20.5374053699       26.8264012859       17.1238857009
  O        21.7637139781       26.7654530905       17.9540265360
  O        19.4795186238       27.9957875804       17.4567725495
  O        20.7041656025       27.1762358083       15.5664698068
  C        18.0792161151       22.9127590311       17.4151365624
  C        17.6776423368       23.9525258029       16.5493726332
  H        16.7682973991       23.8302788738       15.9639333624
  C        18.4267821054       25.1200024964       16.4414018254
  H        18.1030891700       25.9151491029       15.7709206008
  C        19.6024619795       25.2832620089       17.1975549549
  C        20.0202454414       24.2472542541       18.0473036979
  H        20.9307654646       24.3811176669       18.6298746860
  C        19.2666927382       23.0751792218       18.1543283851
  H        19.5810357655       22.2869304886       18.8365706838
  C        19.0119822650       28.0939132083       18.8426034279
  H        19.5571626124       27.3782369325       19.4737270749
  H        19.2817111336       29.1032513256       19.1800235475
  C        17.5092814576       27.8611487533       18.8879829458
  H        17.1351073036       27.9926229915       19.9140949283
  H        17.2549618203       26.8456403649       18.5554524988
  H        16.9880988704       28.5774896581       18.2393054373
  C        21.7143581687       26.3989928451       14.8306907277
  H        22.7054131353       26.7271128025       15.1702828040
  H        21.6036634815       25.3326086953       15.0767892328
  C        21.5066299583       26.6466460786       13.3490392426
  H        22.2620171000       26.0892054028       12.7755494458
  H        21.6053411264       27.7131253740       13.1095634806
  H        20.5126666004       26.3096539740       13.0277604040
