     506
 i =       66, E =     -2351.8038948216
 Zn        21.3214688111       15.3952496650       15.3091189071
  N        20.5216458653       17.2782101083       15.1840753401
  C        19.1842497424       17.6085570963       15.1185734603
  C        19.0318598752       19.0618917425       15.1476242830
  C        20.3130926832       19.5835857146       15.1976839989
  C        21.2264816040       18.4583556895       15.2224578947
  C        18.1463933311       16.6799204262       14.9823764216
  H        17.1430379343       17.0788937902       14.8445861634
  N        19.4559446453       14.6049482724       15.1729172273
  C        18.2705706672       15.2870260149       15.0022866748
  C        17.1741351696       14.3379674694       14.8798869495
  C        17.7262675936       13.0714059134       15.0239951711
  C        19.1544009974       13.2662926129       15.2078809355
  C        20.0720374812       12.2305066098       15.3848383697
  H        19.6483256507       11.2335421682       15.4465029946
  N        22.1474899166       13.5215648718       15.4753540161
  C        21.4566390476       12.3319583632       15.5035286831
  C        22.3776351561       11.2162869624       15.7226527648
  C        23.6399816443       11.7763011552       15.8182256961
  C        23.4768764187       13.2127948903       15.6529887332
  C        24.5180922602       14.1415097528       15.6592637239
  H        25.5257450960       13.7442432159       15.7648227780
  N        23.2275190084       16.2206236491       15.3861511277
  C        24.4012793210       15.5297716599       15.5724348354
  C        25.5157014472       16.4565178666       15.6576227900
  C        24.9958086705       17.7308855794       15.4941437285
  C        23.5538772117       17.5585665959       15.3522445119
  C        22.6156946800       18.5873885576       15.2999589906
  H        22.9977157190       19.6037539360       15.3531427829
  P        13.6004838702       21.6542750925       14.3190798731
  O        12.7504508478       21.8439597168       15.5206272751
  O        13.8127700692       22.9755640752       13.4130323591
  C        13.7906426077       24.2962775057       14.0573234388
  H        14.5947990861       24.8639302201       13.5714431572
  H        14.0314531960       24.1951203700       15.1235813192
  C        12.4335600777       24.9497714838       13.8542891066
  H        12.4417683733       25.9750258732       14.2534848017
  H        11.6490097580       24.3820103710       14.3725672384
  H        12.1801206669       25.0007490389       12.7876187082
  O        13.0701424971       20.5990187749       13.2331043150
  C        11.6237657894       20.5768673568       12.9573800541
  H        11.1880240989       21.5536821916       13.2081954133
  H        11.5465643182       20.4367097470       11.8717012055
  C        10.9654564852       19.4485333472       13.7325074049
  H         9.8875993928       19.4153697657       13.5138441501
  H        11.0969536444       19.5868363653       14.8137574683
  H        11.3913145673       18.4716506337       13.4738685171
  C        17.7555948722       19.7818850369       15.0499647754
  C        17.6074241347       20.8287260767       14.1185888811
  H        18.4668557080       21.1359476249       13.5257171081
  C        16.3662004901       21.4306050593       13.9149853317
  H        16.2518195853       22.2110704987       13.1653218221
  C        15.2459940788       21.0100518151       14.6508596195
  C        15.4006767716       20.0206538363       15.6370110233
  H        14.5455081122       19.7321407395       16.2482164774
  C        16.6406925980       19.4136845078       15.8314905222
  H        16.7527866631       18.6538737003       16.6027748178
  P        22.9827464069       25.0130100121       15.7784051686
  O        23.1321342018       25.3985805416       17.2059124491
  O        24.2997028925       24.7408505085       14.9160415728
  O        22.2419302244       26.1187285240       14.8607004088
  C        20.8056523166       20.9713850345       15.2831456022
  C        20.7248043062       21.6882085848       16.4878132341
  H        20.1879293137       21.2546120115       17.3296189381
  C        21.3774953631       22.9155093495       16.6271547318
  H        21.3409859201       23.4553678474       17.5722573026
  C        22.1169245312       23.4492170818       15.5607589792
  C        22.1616183255       22.7594545059       14.3367831524
  H        22.7266741536       23.1766932481       13.5054375963
  C        21.5156846914       21.5317859587       14.2029666708
  H        21.5778340659       20.9781978964       13.2671061283
  C        21.0230780360       26.7776644791       15.3562639878
  H        21.0295634109       26.8038190124       16.4524213735
  H        21.0945320637       27.8067328649       14.9825943241
  C        19.7834793653       26.0737156360       14.8237273698
  H        18.8866085476       26.6271237687       15.1369023974
  H        19.7045207680       25.0531711737       15.2205880807
  H        19.7962512896       26.0176089974       13.7278228785
  C        25.1978450041       25.8488221245       14.5320844426
  H        24.9919198006       26.7169227182       15.1709403998
  H        26.2042504290       25.4710141675       14.7523416907
  C        25.0107138669       26.1684773608       13.0589477102
  H        25.7167667278       26.9561095353       12.7561934496
  H        23.9904830059       26.5176360096       12.8559823957
  H        25.2107698151       25.2830187480       12.4414136889
  P        11.2051538853       15.3015853967       14.7350470425
  O        10.6437404709       16.5674739807       15.2610066694
  O        10.7843066944       14.0980505432       15.7164981398
  O        10.7316663886       14.8729331204       13.2487451972
  C        15.7545706669       14.6987127118       14.7320409539
  C        15.0013778183       14.2677836108       13.6244833059
  H        15.4996795820       13.7447442987       12.8127129293
  C        13.6281423455       14.5005150849       13.5565969095
  H        13.0483029009       14.1256619243       12.7161207213
  C        12.9865278388       15.2087791335       14.5842728898
  C        13.7451965560       15.7229025805       15.6499458334
  H        13.2494883303       16.2891442256       16.4378534443
  C        15.1127642393       15.4666371361       15.7228685437
  H        15.6835729736       15.8226005253       16.5782484669
  C         9.2919644683       14.7674147790       12.9883216445
  H         8.8027198992       14.3088578362       13.8599947760
  H         9.2177153670       14.0607519024       12.1520059963
  C         8.6825085669       16.1197347711       12.6437364512
  H         7.6242190800       15.9946101914       12.3715391105
  H         9.2041411401       16.5772540818       11.7933774134
  H         8.7459871658       16.8030782217       13.5000034042
  C        11.4113933761       12.7774444071       15.7904399934
  H        12.4996156991       12.8956439236       15.7074124659
  H        11.1841017358       12.4356904190       16.8088131730
  C        10.8636250904       11.8077652666       14.7558972984
  H        11.3464974542       10.8274927169       14.8899320522
  H        11.0637015987       12.1532002563       13.7339187930
  H         9.7819869095       11.6683133461       14.8831824056
  P        15.1653377881        7.5410823817       15.1679207637
  O        15.4305107352        6.7653551438       16.4056137403
  O        15.5654076756        6.7596883408       13.8048524870
  O        13.6558792278        7.9898049587       14.8634316194
  C        17.0875558071       11.7429452356       15.0519440457
  C        17.2384404304       10.9066502458       16.1775183624
  H        17.7791111691       11.2771881408       17.0483137558
  C        16.6899981290        9.6213608184       16.1936531346
  H        16.8252387924        8.9711634021       17.0568187019
  C        15.9566606494        9.1546289192       15.0925003875
  C        15.8082860929        9.9752887656       13.9614955423
  H        15.2533178733        9.6134882290       13.0978517881
  C        16.3788831357       11.2458096587       13.9401726279
  H        16.3022221742       11.8535312853       13.0430327319
  C        12.6060008277        6.9663479436       14.7521331336
  H        12.4546339612        6.5321200900       15.7480185758
  H        12.9489959998        6.1929305243       14.0520030823
  C        11.3503604687        7.6630319842       14.2639631580
  H        10.5348048080        6.9333837677       14.1570646148
  H        11.5108213753        8.1427984297       13.2902353923
  H        11.0363405694        8.4197238647       14.9943357467
  C        16.3332768638        5.5128058226       13.8642104579
  H        15.9520845295        4.9050432462       14.6946053583
  H        16.0930684022        5.0089050708       12.9190288743
  C        17.8241064802        5.7684483719       14.0070118892
  H        18.3801646311        4.8223794073       13.9259737440
  H        18.0525093629        6.1977569503       14.9906033705
  H        18.1877887379        6.4468635763       13.2248421963
  P        19.6082303144        6.6730177637       18.3855536916
  O        20.2935695835        6.2768432915       19.6416954993
  O        19.0663444705        5.5425734465       17.3872443728
  O        18.2396903399        7.5211746675       18.6275707742
  C        21.9375305591        9.8648347915       16.0884636452
  C        22.4779689313        9.2644093167       17.2423465616
  H        23.3352330508        9.7244992437       17.7258627717
  C        21.8385891506        8.1832671700       17.8419052416
  H        22.2229295562        7.7575408193       18.7655804641
  C        20.6344959757        7.6872236856       17.3170033676
  C        20.1787521339        8.1771599643       16.0817469785
  H        19.2775424339        7.7683545058       15.6307282596
  C        20.8455574592        9.2294146622       15.4574579369
  H        20.4838485499        9.6002423969       14.5003486375
  C        18.2551813754        8.5640362239       19.6585790233
  H        18.7351597041        9.4575818291       19.2362161218
  H        18.8697762397        8.2178476832       20.4998793887
  C        16.8240480839        8.8404980315       20.0871171853
  H        16.8150848081        9.6102287894       20.8718876596
  H        16.3520875245        7.9353153839       20.4906431813
  H        16.2070701441        9.2119405065       19.2579329082
  C        17.8365621067        4.7830123955       17.6645186659
  H        16.9957601207        5.4884954210       17.6662335597
  H        17.7364680352        4.1367279533       16.7831227979
  C        17.9248173383        3.9636591411       18.9432732429
  H        17.0245964201        3.3381988019       19.0374109234
  H        17.9937722795        4.6070344660       19.8302193937
  H        18.8038157471        3.3061638092       18.9342693993
  P        29.3153906325        9.6928094661       16.1027006103
  O        29.6128105763        8.3077959201       15.6814392612
  O        29.8559233961       10.1620605593       17.5484534586
  O        29.9335551700       10.7371454220       15.0276165554
  C        24.9411065725       11.1282461909       16.0316872260
  C        25.3969739411       10.1215892679       15.1590032424
  H        24.7327606618        9.7590486602       14.3763877908
  C        26.6996693286        9.6346205958       15.2576213095
  H        27.0621109844        8.8837418718       14.5564828148
  C        27.5742176084       10.1387320527       16.2373158223
  C        27.0971381756       11.0777358579       17.1674243734
  H        27.7572339336       11.4393658833       17.9533043804
  C        25.7922514499       11.5625572737       17.0670299536
  H        25.4160573016       12.2889403569       17.7864307982
  C        31.2010529773        9.7528762380       17.9733421908
  H        31.1537427207        9.7843124232       19.0689055414
  H        31.3588591727        8.7126863750       17.6587375722
  C        32.2754791826       10.6889968755       17.4353305792
  H        33.2504273765       10.4076872130       17.8606616908
  H        32.0616628609       11.7314708263       17.7106902171
  H        32.3493539851       10.6171866811       16.3426434673
  C        29.7652739767       12.1827828737       15.2061003073
  H        30.7491713413       12.6201479986       14.9882798944
  H        29.5432989774       12.4099961540       16.2567378572
  C        28.6940976017       12.7160516786       14.2659356618
  H        28.6212473707       13.8084893778       14.3652097601
  H        27.7114648208       12.2864303984       14.4990590876
  H        28.9348733477       12.4756215708       13.2225975005
  P        31.2294850194       15.2064496164       17.3079764551
  O        31.3926227934       13.9748492169       18.1102799402
  O        32.0577275291       15.2800359056       15.9194317705
  O        31.7151041504       16.4805999984       18.1837265906
  C        26.9029780794       16.0951640124       15.9764718558
  C        27.9755570972       16.5242459634       15.1723040358
  H        27.7641748798       17.0814003526       14.2613872357
  C        29.2934636654       16.2510913114       15.5375583467
  H        30.1130414436       16.5736540002       14.8985167545
  C        29.5660694840       15.5370160444       16.7182926113
  C        28.4983952601       15.0855152556       17.5146037108
  H        28.7117951969       14.5208592480       18.4214410508
  C        27.1820562172       15.3636646619       17.1485993613
  H        26.3533157684       15.0659952268       17.7897254504
  C        33.4758776262       14.9044642986       15.9573640702
  H        34.0536652669       15.7932352422       16.2502917256
  H        33.6152867819       14.1308649861       16.7251041438
  C        33.8659540445       14.4032407132       14.5781556857
  H        34.9348552638       14.1443756382       14.5606687030
  H        33.6871445527       15.1674473015       13.8105707650
  H        33.2924879987       13.5048524311       14.3127070911
  C        31.5854660355       17.8510105304       17.6896114586
  H        31.4545290653       17.8516546082       16.5986116977
  H        32.5491531322       18.3309585108       17.9100431306
  C        30.4346629795       18.5530456752       18.3970560054
  H        30.3936627408       19.6128070702       18.1041590803
  H        30.5643121880       18.5020985984       19.4857100160
  H        29.4743843031       18.0875677680       18.1382456167
  P        27.7647521199       23.0591197350       16.4788107236
  O        27.8248859881       24.0224341594       15.3506790971
  O        29.2173808963       22.7243847553       17.1284305282
  O        26.9342921799       23.4571215946       17.7909212189
  C        25.7155938854       19.0044162479       15.6346024050
  C        26.6656930205       19.1419567414       16.6692635518
  H        26.8501772910       18.2978141572       17.3286152064
  C        27.3026487605       20.3530779027       16.8991989862
  H        28.0176117221       20.4457454385       17.7144493088
  C        27.0062812382       21.4749973423       16.1046577367
  C        26.0852749141       21.3500617839       15.0535634204
  H        25.8562636375       22.2177414760       14.4364103548
  C        25.4560291041       20.1228224530       14.8171578126
  H        24.7539155411       20.0318252663       13.9902190531
  C        30.3989273925       22.7873108460       16.2628953478
  H        30.3372662767       23.7008988500       15.6576772493
  H        31.2390107234       22.8837921651       16.9620805961
  C        30.5373734542       21.5508842058       15.3839633050
  H        31.4764240405       21.6052882591       14.8133923915
  H        29.7086272548       21.4784389628       14.6667475151
  H        30.5505625922       20.6308397281       15.9830637975
  C        27.2583970222       24.6637183417       18.5657163705
  H        26.9066927201       24.4268574369       19.5782465790
  H        28.3499007344       24.7781845524       18.6029203830
  C        26.5618626501       25.8910763121       18.0012869397
  H        26.7259324828       26.7485559635       18.6702920976
  H        25.4793423466       25.7234790663       17.9061019758
  H        26.9633677861       26.1456498268       17.0126447014
 Zn        13.7681872700       18.0619056422       18.9591163396
  N        14.5627531315       16.1600554805       19.0964722495
  C        15.8951222506       15.8209554958       19.1967817447
  C        16.0371229343       14.3649029415       19.2033312980
  C        14.7545438121       13.8478811502       19.1317084272
  C        13.8506549639       14.9837497185       19.0588543141
  C        16.9410512824       16.7430129030       19.3244300451
  H        17.9402212562       16.3334131493       19.4615162089
  N        15.6428217605       18.8285272916       19.1852609081
  C        16.8304291900       18.1380694252       19.3130425439
  C        17.9355912093       19.0824703373       19.4500756542
  C        17.3716147399       20.3496583256       19.3993959346
  C        15.9447230832       20.1682196693       19.2190079079
  C        15.0369055308       21.2236020716       19.0874573187
  H        15.4642767518       22.2226701388       19.1148433232
  N        12.9802430617       19.9416942422       18.7684852979
  C        13.6618610498       21.1333849376       18.8808074597
  C        12.7564844953       22.2561670752       18.6541548840
  C        11.5225858658       21.6988546703       18.3606988703
  C        11.6775915516       20.2556870017       18.4594893560
  C        10.6441097662       19.3284463091       18.3064449644
  H         9.6569140378       19.7340615824       18.0928559990
  N        11.8878583587       17.2458407535       18.7217126817
  C        10.7394658733       17.9396635426       18.4153905069
  C         9.6240530432       17.0184065022       18.2761045884
  C        10.1128282490       15.7508903063       18.5574270348
  C        11.5437392654       15.9126253553       18.7926517197
  C        12.4626526357       14.8720276961       18.9353230243
  H        12.0675845221       13.8591376528       18.9049888757
  P        21.4481598100       11.7047977914       20.0764611863
  O        22.3942656839       11.7979319081       18.9368261891
  O        21.0236100819       10.2576101289       20.6226552985
  C        22.0144207950        9.3235248056       21.1781321153
  H        21.6800945392        8.3352563780       20.8338114694
  H        22.9959755727        9.5345887769       20.7331587405
  C        22.0378675362        9.4062263197       22.6957331239
  H        22.7392218072        8.6592022891       23.0962679993
  H        22.3508308697       10.4010429917       23.0351365904
  H        21.0442194767        9.1923919866       23.1108708742
  O        22.0006274616       12.4285419688       21.4205827173
  C        23.0354063957       13.4647754125       21.2875806951
  H        23.7943414996       13.1045705071       20.5817213004
  H        23.4809235938       13.5205204917       22.2889188835
  C        22.4664390621       14.8033343274       20.8469384342
  H        23.2721588506       15.5516475261       20.8039497655
  H        22.0395694540       14.7394659967       19.8376784288
  H        21.6874935463       15.1581200909       21.5326362382
  C        17.3133384049       13.6469006763       19.3417725833
  C        17.4720998333       12.6736150466       20.3482503909
  H        16.6226125929       12.4234584589       20.9811936469
  C        18.7067356799       12.0648212099       20.5630375639
  H        18.8230792404       11.3348476682       21.3615669959
  C        19.8125042597       12.3920614001       19.7574912210
  C        19.6502205552       13.3219707470       18.7185025777
  H        20.4929361177       13.5451267962       18.0646684537
  C        18.4171206708       13.9463787710       18.5190931589
  H        18.3009916124       14.6581860171       17.7037311746
  P        11.9504307437        8.4433412670       18.9243928105
  O        11.6328301883        7.9896109453       17.5457242625
  O        10.7310838851        8.7905361141       19.8988073624
  O        12.7554564490        7.3461571689       19.8027102936
  C        14.2474722212       12.4570714684       19.1073479612
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  C        21.3437468170       17.6721739114       18.5891244208
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  H        26.2032705877       17.0205440718       22.0984988820
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  H        23.9099146890       21.1230166666       17.2825914733
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  H        18.3599642945       24.4357611277       17.4135647245
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  C        18.8838764563       23.5867777769       20.6737013027
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  C        21.9173063077       26.2526000211       20.0306316834
  H        21.9091498912       26.3994461331       18.9445835858
  H        22.4186789071       27.1095810045       20.4978320963
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  H        22.6003099565       24.7850370852       21.4886724939
  H        22.0647654666       24.0898053974       19.9389682451
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  H        17.8810430019       28.6641202473       19.7784422687
  H        19.0370710806       28.4496994865       21.1309366332
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  H        15.9711598675       28.0878885138       21.2954670169
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  O        14.1703740903       28.7397770045       19.5110634076
  O        16.0569184031       28.0843534227       18.0420466842
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  C        12.6307394722       24.4795181625       17.5482099110
  H        11.9636268932       24.0316109858       16.8158912173
  C        13.0079839143       25.8152782405       17.4313314394
  H        12.6085581412       26.4386994505       16.6332681857
  C        13.9297716337       26.3767251820       18.3303978028
  C        14.4455831130       25.5848948086       19.3710558196
  H        15.1718623035       26.0023442255       20.0673607404
  C        14.0339538683       24.2585194853       19.5101522051
  H        14.4059019570       23.6698449920       20.3465807147
  C        16.7092671338       27.7252617216       16.7722958213
  H        17.6481458525       27.2477868271       17.0795420652
  H        16.0896828620       26.9868278520       16.2437444692
  C        16.9493083066       28.9642095864       15.9238720711
  H        17.4849986086       28.6922228029       15.0019971978
  H        15.9979921887       29.4384695180       15.6502118951
  H        17.5665784284       29.6901514114       16.4692359015
  C        14.4202017874       30.1771606664       19.6654788373
  H        13.9978107380       30.7018750229       18.7974891149
  H        15.5075853603       30.3364830664       19.6723937472
  C        13.7734757354       30.6199258393       20.9661071450
  H        13.9497038888       31.6930417009       21.1274770640
  H        12.6895158688       30.4484561621       20.9425929436
  H        14.1903191391       30.0715929760       21.8211151303
  P         5.9988104373       23.8371082722       17.0399366535
  O         5.6348269169       25.2289013241       17.3788070303
  O         5.7830869024       23.3714670697       15.5082727923
  O         5.1457546072       22.8066393952       17.9528381457
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  C         9.6299289804       23.3045452229       18.7861918042
  H        10.1204095988       23.6304434224       19.7017823006
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  H         7.8765893610       24.5284253443       19.0914687966
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  C         8.3760678150       22.4540597159       16.4311146366
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  C         9.6342975665       21.9588860919       16.7711378584
  H        10.1580623324       21.2743419385       16.1066786977
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  H         4.8262145566       23.7502675457       13.7528861335
  H         4.2977311685       24.7867056070       15.1016422273
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  H         3.6929506127       21.7492637387       14.8827237849
  H         3.0879937000       22.8497468689       16.1456727116
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  H         4.3166887869       20.9343299968       17.8093684290
  H         5.7839411754       21.1187163603       16.8531649819
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  H         7.1714101734       21.2263364924       18.9734891343
  H         5.6890437477       21.0809123481       19.9449517426
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  O         3.9291560264       19.3104220495       15.1897758110
  O         3.1052865321       17.6245010771       17.0587817195
  O         4.0140907333       16.8114192691       14.7929571222
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  C         7.1221254775       16.9147159939       18.4760299593
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  H         4.9708863023       16.7606365648       18.4570569932
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  C         6.8538432092       18.3101792073       16.0679475913
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  H         9.0106523011       18.4004811237       16.0619829377
  C         1.6676513302       17.6636799999       16.7669482470
  H         1.2310527983       16.9022646353       17.4269543744
  H         1.5007017130       17.3502859072       15.7264361726
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  H         0.0041887963       19.0371720878       16.8663106805
  H         1.2733350587       19.3487160905       18.0757097690
  H         1.5452479104       19.7910631987       16.3694338654
  C         4.2141071269       15.4204475938       15.2034149962
  H         4.1692990696       15.3376737528       16.2979824968
  H         3.3591153662       14.8666908188       14.7914822647
  C         5.5352393981       14.8979006443       14.6586460020
  H         5.6501337447       13.8313636811       14.9040223394
  H         5.5756621227       15.0048016504       13.5670655654
  H         6.3823327376       15.4458027765       15.0923428894
  P         7.4284140599       10.3212797802       17.9955274267
  O         7.1642555734        9.5877954314       19.2596512713
  O         6.1136763791       10.4973648099       17.0554474647
  O         8.4725253032        9.6771064287       16.9687324548
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  C         8.5142826287       14.2167880275       17.4149898699
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  H         7.2398637576       12.7903798012       16.4297020199
  C         8.1401282333       11.9555004531       18.2068638400
  C         8.9893365553       12.2023413889       19.2973914192
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  H        10.2499201455       13.6376680712       20.2911695259
  C         4.7991914883       10.6255833379       17.6905677369
  H         4.8198138136       10.0937738428       18.6507391415
  H         4.1101658858       10.0996095735       17.0172866482
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  H         3.3953763231       12.1582576370       18.2847935597
  H         5.0982997071       12.6109371582       18.5341058545
  H         4.4097825124       12.6123323329       16.8942911651
  C         8.3591435633        8.2487137971       16.6249339520
  H         7.7483903350        7.7456354710       17.3862109009
  H         9.3866097095        7.8691289273       16.6998786809
  C         7.7732454945        8.0986579490       15.2306217020
  H         7.7457508397        7.0358072303       14.9478749085
  H         6.7515533139        8.4966584674       15.1849315750
  H         8.3865498438        8.6307510657       14.4914915797
