     44

C       -5.925051966  -0.454468250  -8.620255517
C       -6.534563974   0.512739234  -7.596791633
C       -5.624214785   0.616618717  -6.333944673
C       -4.182244374   1.074006124  -6.639674313
N       -3.233141638   0.247962695  -6.119707966
C       -1.810986036   0.445704659  -6.280608295
C       -1.021709555   0.245004606  -4.987793047
C       -1.193248518   1.368433382  -3.970505395
N       -0.913850086   1.019137247  -2.675205283
C       -1.044415825   1.952852809  -1.579795482
C       -0.002686636   1.710247126  -0.494760888
S        0.031172451  -0.002486204   0.160451884
C       -7.935817520   0.030857100  -7.166492634
O       -7.881208510  -1.271923188  -6.579246950
P       -9.232795566  -2.281031997  -6.636273370
O       -8.754459936  -3.545370286  -6.016676198
O       -9.862766752  -2.134495460  -7.992958433
C       -6.742131399   1.888291553  -8.247789871
O       -5.566350252  -0.611062126  -5.604979347
O       -3.925475497   2.103316338  -7.276350132
O       -1.504570157   2.517146525  -4.286220786
H       -6.054877201   1.412519206  -5.689189789
H       -6.418348468  -1.104369874  -5.791780443
H       -3.611023047  -0.597147009  -5.687290875
H       -0.732748845   0.049578520  -2.421513129
H       -1.242742450  -0.021263794   0.622340185
H       -8.368129516   0.742616941  -6.434827702
H       -8.593089434  -0.001187251  -8.052454509
H       -5.740967752  -1.444836700  -8.183261708
H       -6.610716255  -0.586088153  -9.470140413
H       -4.975337047  -0.048420802  -9.000623328
H       -7.183185244   2.613156753  -7.543861099
H       -5.786922959   2.298147885  -8.595516133
H       -7.431410049   1.777181053  -9.099725647
H       -1.669453129   1.471712230  -6.645520466
H       -1.410098718  -0.252227525  -7.038616822
H        0.052197151   0.197721692  -5.238233824
H       -1.271959192  -0.725872630  -4.530748542
H       -2.060396324   1.907893434  -1.144220412
H       -0.932082964   2.964370359  -1.997090468
H       -0.147412707   2.413698478   0.334841595
H        1.014608352   1.865822692  -0.883965824
O      -10.248243236  -1.483985851  -5.585072639
H      -10.978680435  -1.173970258  -6.152422678
     44

C       -7.931846297   8.273531318  -1.134649792
C       -8.254867888   6.777037679  -1.304744980
C       -6.965270460   6.109339629  -1.877477563
C       -6.982220716   4.578765916  -2.071312264
N       -6.263978193   3.879347904  -1.131416731
C       -5.942201933   2.483128957  -1.338285968
C       -4.695734141   2.029117602  -0.571628688
C       -3.371600507   2.560443423  -1.118474675
N       -2.334313542   1.665725711  -1.077361556
C       -0.994203218   1.986314883  -1.541584339
C        0.084035237   1.710273318  -0.496914343
S        0.195783744  -0.108171368  -0.224689480
C       -9.442062450   6.699962691  -2.311628965
O      -10.329612328   5.619711383  -2.061586273
P      -11.600883951   5.429537055  -3.141495965
O      -12.440718910   4.318170719  -2.582616320
O      -11.052438723   5.502932944  -4.529837536
C       -8.613925474   6.173574009   0.056743094
O       -5.843565069   6.484203064  -1.029244977
O       -7.544083185   4.033026946  -3.021603897
O       -3.234707915   3.709921266  -1.551409762
H       -6.807992902   6.527291267  -2.886790367
H       -5.028157198   6.280559288  -1.521536490
H       -5.682089045   4.441419051  -0.509907206
H       -2.489771296   0.744866526  -0.674265270
H        0.783605153  -0.068240150   0.994153926
H      -10.020438629   7.638057209  -2.220036792
H       -9.063071455   6.664362054  -3.350502546
H       -7.085430080   8.420502633  -0.453610537
H       -7.678536417   8.746664126  -2.097299847
H       -8.812432232   8.789443793  -0.729182198
H       -7.743059684   6.244903252   0.725973224
H       -9.456521478   6.715590125   0.512362154
H       -8.918512245   5.124320340  -0.049375445
H       -5.812700848   2.318625771  -2.420317208
H       -6.791083614   1.846913965  -1.033552330
H       -4.679555956   0.927377395  -0.555422483
H       -4.776940041   2.338993030   0.484171459
H       -1.001713239   3.057442335  -1.782047863
H       -0.766470150   1.444337103  -2.479520948
H       -0.173273042   2.201927036   0.451119398
H        1.051270921   2.101374291  -0.847193442
O      -12.458816726   6.844345721  -2.883572290
H      -13.234316879   6.548819790  -2.367116921
     44

C       -3.817197268   7.526704073  -1.435895376
C       -4.227820811   6.049649025  -1.409389722
C       -3.215765731   5.162150623  -2.213710445
C       -1.770600429   5.350092303  -1.775950492
N       -0.982591915   6.016673257  -2.652452534
C        0.416381997   6.319689942  -2.409553788
C        1.412019988   5.464983075  -3.196237218
C        1.488556462   3.959703870  -2.945064318
N        0.875058892   3.468402405  -1.836870749
C        0.892336025   2.030660130  -1.595673632
C        0.000773783   1.657634743  -0.418959175
S        0.006575973  -0.140922174  -0.103341296
C       -5.596238877   5.911246665  -2.108635127
O       -5.895550899   4.534825716  -2.297446699
P       -7.153701086   4.088201814  -3.310707177
O       -7.209120618   2.605998090  -3.208406001
O       -6.999805834   4.868090664  -4.590714019
C       -4.341250324   5.558819740   0.038947808
O       -3.272917027   5.421753101  -3.623756347
O       -1.344461340   4.913356555  -0.685092202
O        2.130623341   3.240822400  -3.722706781
H       -3.475526862   4.109985279  -2.015816459
H       -4.093609932   5.013751321  -3.971377830
H       -1.408427124   6.216789686  -3.558772563
H        0.201463829   4.041883269  -1.307142781
H        1.298339961  -0.197896103   0.294239253
H       -6.370046968   6.388770648  -1.476093280
H       -5.587248133   6.441746603  -3.077980289
H       -4.632662202   8.156925066  -1.047553817
H       -2.932985929   7.694996511  -0.802083113
H       -3.588466681   7.861894962  -2.458491717
H       -3.379956824   5.622906352   0.566274971
H       -5.077245594   6.183288040   0.568397987
H       -4.693171278   4.517840081   0.068784768
H        0.588109246   6.218978980  -1.328459832
H        0.587538750   7.375171105  -2.678107155
H        2.427700223   5.853432057  -3.006866665
H        1.248851765   5.588933553  -4.277217538
H        1.931414296   1.712376669  -1.405238263
H        0.572339304   1.492261353  -2.502750310
H       -1.051009566   1.912602348  -0.613171327
H        0.281360720   2.198426028   0.494782617
O       -8.450963578   4.753546398  -2.505692443
H       -8.783009726   5.461983773  -3.089510923
    44

C        1.773774273   6.624251468   7.631768397
C        2.233946054   5.165163698   7.536879686
C        1.106279302   4.165280386   7.974777098
C       -0.221925620   4.369998001   7.216126075
N       -0.294849262   3.763239239   5.980947510
C       -1.415928462   4.059452785   5.104840569
C       -1.509929133   3.111028170   3.918253780
C       -0.484287995   3.394659361   2.819186759
N       -0.499612457   2.512110406   1.775632732
C        0.407669083   2.634756775   0.647649533
C        0.013872117   1.711847215  -0.494446191
S        0.159814157  -0.080995812  -0.131040927
C        3.456355936   4.932992020   8.453327520
O        3.171274491   5.370859925   9.785330940
P        4.499034740   5.631263925  10.800465318
O        5.432539270   4.483189673  10.604863151
O        3.907181632   6.101403983  12.090160062
C        2.691706329   4.865026654   6.101345465
O        0.811974764   4.218894376   9.351219905
O       -1.173016537   5.005187957   7.670104076
O        0.275158177   4.367053750   2.838870066
H        1.483590338   3.149388350   7.706827182
H        1.594550392   4.617136063   9.816830879
H        0.570683738   3.427887357   5.565736604
H       -1.033993726   1.651656628   1.868926687
H       -1.057905297  -0.247432147   0.441389194
H        3.733678615   3.861200736   8.459493961
H        4.319394011   5.499209777   8.061317491
H        0.956885917   6.823909527   6.922908168
H        1.420997427   6.863756230   8.641255284
H        2.611901442   7.299948471   7.399678706
H        1.939397685   5.152273739   5.353037203
H        3.606504837   5.430463029   5.869544329
H        2.932135327   3.798342084   5.960367608
H       -1.356845305   5.097202413   4.733122614
H       -2.327099465   3.994364384   5.716661762
H       -2.513605553   3.213344143   3.470622001
H       -1.428457332   2.061017294   4.249573156
H        1.444511853   2.431174344   0.963184003
H        0.386437791   3.676461964   0.286917724
H        0.694406738   1.876890504  -1.340711455
H       -1.005039405   1.916530349  -0.849583515
O        5.182714772   6.942935233  10.035603351
H        4.801849342   7.732510573  10.469216542
   44

C        3.773107198   7.110906148  -8.165851643
C        2.329623701   7.526104753  -7.828200825
C        1.587864523   6.357256380  -7.109737820
C        0.305525295   6.755331776  -6.335872134
N        0.014856742   5.916516164  -5.285985708
C       -1.277915705   5.970956437  -4.628881996
C       -1.250998004   5.437856384  -3.200145424
C       -1.082890805   3.921866686  -3.124998558
N       -0.776113317   3.419307988  -1.885885979
C       -0.717444461   1.983536089  -1.643236186
C        0.049222922   1.651160635  -0.369761527
S        0.176125342  -0.150115513  -0.088331076
C        1.578627636   7.828754667  -9.147831420
O        1.840071417   6.799536866 -10.097671235
P        0.651541506   6.419680533 -11.213762521
O       -0.642113567   6.260504059 -10.480177911
O        1.276651628   5.402305279 -12.119209813
C        2.381767618   8.789537293  -6.959472360
O        2.439511116   5.558913020  -6.252227291
O       -0.411320414   7.716712488  -6.625776793
O       -1.235168180   3.184859758  -4.101692185
H        1.265269483   5.659893467  -7.903352601
H        2.901809714   6.170812398  -5.647085224
H        0.563872378   5.058960072  -5.241290167
H       -0.743851048   4.052829858  -1.091217833
H       -1.148379093  -0.373427397   0.088119690
H        0.495587208   7.909853738  -8.965909229
H        1.936851306   8.802382464  -9.542552017
H        3.808385879   6.174561313  -8.734560967
H        4.235006731   7.896825466  -8.784709588
H        4.384909809   6.997871117  -7.257217365
H        2.864817875   8.582630702  -5.988764701
H        2.983742478   9.564845636  -7.454423072
H        1.380847000   9.191375778  -6.766204970
H       -2.023195303   5.399582021  -5.206634919
H       -1.599458948   7.021514063  -4.636174384
H       -2.217805071   5.677304233  -2.722483256
H       -0.476098818   5.938154166  -2.597054868
H       -0.247011917   1.511997042  -2.517522535
H       -1.732717289   1.552975437  -1.573213536
H       -0.402264450   2.120859149   0.518779920
H        1.092665090   1.991947434  -0.436554192
O        0.559317522   7.855882966 -12.060721841
H        1.216397272   7.773493989 -12.778417939
     44

C        1.581865793   5.385887259  10.237787503
C        2.096247835   4.075145308   9.624984032
C        2.847231956   4.347565426   8.283756168
C        1.973509150   5.020313067   7.197739368
N        1.767409877   4.240999168   6.118520484
C        0.915515449   4.579942784   4.997034307
C        0.884961998   3.373758022   4.065886998
C        0.277887265   3.651488990   2.705477165
N        0.035716581   2.516985727   1.961040362
C       -0.632981502   2.573361094   0.680782126
C        0.005939670   1.704990864  -0.391237209
S       -0.131823499  -0.107626699  -0.144924210
C        0.892222325   3.153134177   9.370510594
O        1.333722992   1.906412160   8.800339865
P        0.281986056   1.008489379   7.831526614
O        1.155116069  -0.047896708   7.234235279
O       -0.556063608   1.966870629   7.046885406
C        3.085926529   3.406042099  10.593839043
O        3.463595613   3.157157640   7.784329648
O        1.522810596   6.173387347   7.309881155
O        0.052800731   4.789581615   2.277591511
H        3.653609381   5.070180169   8.505179154
H        2.836284711   2.419196280   8.019343086
H        2.159073576   3.302507505   6.165165402
H        0.089450636   1.616171627   2.431215096
H        1.004314935  -0.277435348   0.571603074
H        0.356221064   2.957202496  10.319773409
H        0.187545339   3.632801179   8.672455197
H        1.047485515   5.173772536  11.179409931
H        2.430348936   6.051018969  10.466241638
H        0.915666533   5.918813813   9.545214857
H        3.997713959   4.013632945  10.703215560
H        2.624013531   3.305026514  11.587181756
H        3.386046351   2.408657317  10.247575647
H        1.295083447   5.472014763   4.474833034
H       -0.100981312   4.821230077   5.347083461
H        0.360039640   2.542781443   4.570598059
H        1.920170251   3.026968050   3.888261725
H       -0.586898410   3.627815137   0.369983456
H       -1.699219753   2.304467670   0.781116519
H        1.064668867   1.956472045  -0.524770781
H       -0.509023413   1.894389787  -1.343130583
O       -0.690919858   0.332956926   8.985169732
H       -0.297088799  -0.526795248   9.230091361
   44

C       -5.114212675  -3.200758686   3.032553046
C       -4.962768042  -3.227144305   1.501332483
C       -5.538306900  -1.885461646   0.965861769
C       -5.438097160  -1.643375731  -0.554250842
N       -4.316590936  -0.934160290  -0.906602338
C       -4.056541972  -0.512937061  -2.264728504
C       -4.259947380   0.986489589  -2.503625911
C       -3.387397695   1.966809006  -1.739402673
N       -2.197452082   1.495586118  -1.253660150
C       -1.318850398   2.362165008  -0.490662384
C        0.104759880   1.827833032  -0.461095393
S        0.172649398   0.187163386   0.387476769
C       -5.771382842  -4.451229674   1.010572763
O       -5.420821748  -4.844263009  -0.301662563
P       -6.254047293  -6.140785594  -0.952451276
O       -5.566076332  -6.427492382  -2.241397441
O       -7.731292759  -5.910809893  -0.771609990
C       -3.483450140  -3.386499098   1.130158037
O       -4.836929265  -0.817394590   1.670733695
O       -6.305774614  -1.993800107  -1.347619537
O       -3.723130793   3.148637797  -1.600492282
H       -6.619694730  -1.860272603   1.201230219
H       -5.352047530   0.005244727   1.555084850
H       -3.727840552  -0.639074911  -0.127459353
H       -1.947123352   0.507100607  -1.309203243
H        1.194571815  -0.320380037  -0.339796534
H       -5.554087410  -5.285071086   1.710752592
H       -6.858131410  -4.249525429   1.085181779
H       -4.718648614  -4.130862858   3.460198204
H       -4.571968805  -2.361994740   3.483709011
H       -6.170997895  -3.126241732   3.331811647
H       -3.375093031  -3.505479277   0.044578782
H       -2.890764944  -2.525592871   1.477159720
H       -3.087242036  -4.295762177   1.607359014
H       -4.748739731  -1.087845478  -2.898771741
H       -3.042162243  -0.821850982  -2.570079425
H       -5.296787033   1.277949078  -2.287770342
H       -4.097173072   1.208647057  -3.571541208
H       -1.704521935   2.499000078   0.537792048
H       -1.324721393   3.358699584  -0.961618925
H        0.746845972   2.535709819   0.081354741
H        0.486600730   1.707046461  -1.484282039
O       -5.868970862  -7.330131240   0.164749588
H       -6.736503187  -7.541855860   0.567426341
    44

C        6.444851435   7.258143385   5.496953984
C        5.052687760   7.853015849   5.744021437
C        3.943283149   7.087168597   4.949212176
C        4.047999676   5.564212143   5.042028133
N        4.083224454   4.919672484   3.844165314
C        4.166261881   3.479976461   3.752346558
C        2.883915720   2.809927831   3.250674429
C        2.626404584   3.050322564   1.768785615
N        1.587104424   2.348783301   1.219132639
C        1.301241229   2.431905620  -0.204133030
C       -0.009531448   1.747932899  -0.562031641
S        0.108213753  -0.054948749  -0.210045199
C        5.087190693   9.319349022   5.245124471
O        3.771460939   9.798832228   4.953551676
P        3.444492770  11.443841091   5.101546593
O        4.043029649  11.936196204   6.390385261
O        2.016765318  11.568888943   4.700106619
C        4.709485949   7.829395576   7.239469649
O        3.904372450   7.469548225   3.570618860
O        4.080521585   4.968461367   6.130611715
O        3.299543763   3.835293417   1.092320719
H        2.979703587   7.348674336   5.424441651
H        3.609146793   8.412797031   3.596399280
H        4.030833952   5.489073239   3.000425306
H        1.162085756   1.583387841   1.739245582
H       -1.222946518  -0.298630675  -0.194049490
H        5.547152556   9.950048909   6.025768518
H        5.697493581   9.390797278   4.325957737
H        6.536168374   6.262717872   5.955444168
H        6.653304559   7.175165712   4.418722556
H        7.217501046   7.909245179   5.938066263
H        3.757502336   8.350873071   7.419563285
H        4.626885476   6.798198841   7.608161031
H        5.489902449   8.357840627   7.807966089
H        4.380436895   3.123091564   4.769066119
H        5.002777999   3.198474721   3.093995537
H        2.023832439   3.180628770   3.830875895
H        2.938803592   1.723536781   3.438612649
H        2.131588612   2.001712360  -0.794227270
H        1.239610989   3.495073319  -0.482022824
H       -0.220531706   1.902333470  -1.629492095
H       -0.834230415   2.166388440   0.030227405
O        4.417357933  12.048662593   3.890469797
H        5.104518983  12.561488266   4.358183831
    44

C        0.711081381  -1.705200721  -3.901633079
C        1.523950819  -1.341906464  -5.148876172
C        2.589318909  -0.257405204  -4.818137209
C        3.467904049  -0.576202596  -3.606299294
N        3.654307711   0.464642804  -2.750846939
C        4.464474661   0.319374976  -1.556504452
C        4.767979428   1.656417315  -0.892031854
C        3.598480899   2.496961218  -0.391650816
N        2.417351038   1.845417513  -0.227689209
C        1.197908213   2.514782350   0.163609341
C       -0.013059102   1.819118866  -0.443431612
S       -0.145098573   0.040163304  -0.017088118
C        0.578365188  -0.754299525  -6.219159004
O        1.354878216  -0.138875427  -7.244627087
P        0.582899187   0.710436348  -8.467659847
O        1.684826873   1.165175349  -9.358039395
O       -0.446563631   1.609438153  -7.835650346
C        2.198912405  -2.591778894  -5.733434926
O        1.992893885   1.034864689  -4.615001577
O        4.004483350  -1.678625289  -3.425635934
O        3.733843262   3.701480354  -0.149703054
H        3.270165160  -0.200290705  -5.684862327
H        1.648381230   1.316335129  -5.491905968
H        3.113941429   1.308631485  -2.937412524
H        2.352495207   0.844212955  -0.400038657
H       -0.161818006   0.193297614   1.330808142
H       -0.023432092  -1.582131501  -6.639181929
H       -0.124759514  -0.018675485  -5.789412250
H        0.289294355  -0.807763067  -3.420414737
H       -0.117144177  -2.375412255  -4.177924472
H        1.344480400  -2.233648010  -3.173336862
H        1.425528704  -3.318215908  -6.028078310
H        2.774208487  -2.336834534  -6.636325840
H        2.867035414  -3.059730104  -5.001516793
H        5.411136168  -0.164925215  -1.839468150
H        3.986385425  -0.384852696  -0.846923512
H        5.334154007   2.309438009  -1.572383623
H        5.422310904   1.478566893  -0.022898840
H        1.265305006   3.556154738  -0.188864979
H        1.104457484   2.554429065   1.264616046
H        0.049480026   1.814790087  -1.543461523
H       -0.935099303   2.337176621  -0.152458947
O       -0.263089510  -0.526526506  -9.200286142
H       -1.203453969  -0.342419730  -9.017181221
    44

C        6.471870215   3.516369860  -7.358667391
C        7.379167897   4.416301863  -6.509367011
C        6.962648791   4.341670972  -5.001328037
C        6.814869998   2.898302099  -4.513978282
N        5.572798345   2.549548234  -4.076080846
C        5.374356877   1.250399084  -3.462697582
C        3.911824210   0.923924125  -3.203934125
C        3.322301048   1.712408195  -2.041265459
N        1.975267617   1.589720387  -1.836595240
C        1.344189869   2.244855465  -0.705993707
C       -0.069898055   1.760387213  -0.435173665
S       -0.222638834  -0.021627580  -0.052718933
C        7.211291233   5.869234824  -6.998867154
O        7.894273362   6.768232884  -6.128274494
P        7.596314098   8.413176408  -6.230137053
O        8.575045404   9.054630508  -5.308687652
O        6.103154208   8.621332384  -6.178812044
C        8.848901780   3.999296656  -6.659216933
O        5.736978787   5.037467907  -4.731252724
O        7.755544679   2.091184617  -4.529223805
O        4.012115569   2.426015139  -1.307970775
H        7.781015962   4.794496178  -4.415289228
H        5.917332010   5.997363066  -4.832431528
H        4.942664643   3.324432547  -3.873745558
H        1.438012068   0.901674383  -2.356020207
H        0.715037523  -0.041440086   0.925685040
H        7.649262737   5.949957234  -8.012077493
H        6.137625843   6.130831080  -7.066622405
H        6.689298212   2.460294163  -7.142514231
H        5.410033898   3.712248001  -7.137091496
H        6.646781167   3.684459469  -8.434215125
H        9.152580655   4.094054564  -7.712942358
H        9.497765519   4.662156196  -6.067676838
H        9.005605754   2.962985185  -6.334610385
H        5.931227156   1.192531477  -2.513679124
H        5.801561106   0.495457124  -4.137081165
H        3.829304856  -0.150616845  -2.965459054
H        3.310418091   1.092172764  -4.110182150
H        1.308900692   3.332115282  -0.884774817
H        1.972832381   2.111540149   0.190552191
H       -0.725506597   1.905838200  -1.307428199
H       -0.497805227   2.357260215   0.380329764
O        8.056881254   8.707266478  -7.808836316
H        7.247583197   9.023675930  -8.254950407
    44

C        4.851851684  10.638425591  -1.806080402
C        3.906667494  11.641149691  -1.126861323
C        2.575430949  10.960077996  -0.662580362
C        2.811980536   9.722219554   0.220895057
N        2.407311264   8.567033231  -0.365449803
C        2.559882376   7.266917958   0.250016000
C        1.501099061   6.294351481  -0.257295726
C        1.674353742   4.896823479   0.329017320
N        0.677744207   4.008312201   0.011497033
C        0.676492131   2.631558969   0.479057743
C        0.016513223   1.714502219  -0.545169474
S        0.028754642   0.009608069   0.128675089
C        3.572410716  12.790069976  -2.100955425
O        2.911940425  12.301526221  -3.274311955
P        2.840191861  13.302743727  -4.634515629
O        2.045876362  12.530130604  -5.624595221
O        4.211974372  13.875705840  -4.843136653
C        4.608656931  12.294030729   0.072592880
O        1.743593699  10.577081269  -1.757730350
O        3.314762673   9.784530025   1.352381210
O        2.641944498   4.573834433   1.020276296
H        2.043422036  11.690754560  -0.017758443
H        1.989425118  11.164768000  -2.533769856
H        1.992302611   8.698315493  -1.291940119
H       -0.138153490   4.342604528  -0.494396211
H       -0.540752174  -0.580460628  -0.947061066
H        2.916335311  13.526107897  -1.596763470
H        4.503073970  13.303404982  -2.401716706
H        5.764149708  11.156453349  -2.138210897
H        5.149423597   9.837003300  -1.112824502
H        4.394227435  10.187376949  -2.696693007
H        4.859913254  11.553419403   0.840812203
H        5.530418692  12.790878936  -0.267812646
H        3.968176730  13.055957187   0.543913451
H        2.486025534   7.392605600   1.339622102
H        3.560911124   6.845597168   0.057683331
H        1.558821657   6.216651857  -1.357713285
H        0.490630310   6.673552454  -0.028024533
H        0.156099159   2.542172221   1.450492600
H        1.723047553   2.339412111   0.646341252
H        0.565230268   1.747095918  -1.496809220
H       -1.025326291   2.022688182  -0.723066913
O        1.903449504  14.530751131  -4.015200289
H        2.490439536  15.310278138  -3.985583083
    44

C      -10.443738502   0.062135979   4.198600858
C       -9.899044106   0.402205545   2.795724177
C       -8.901648524   1.594742714   2.980013860
C       -8.186979034   2.153544881   1.731161356
N       -6.951094277   1.617375408   1.511835147
C       -6.078164558   1.995332141   0.414043645
C       -4.611648250   1.965706952   0.849026078
C       -3.636828279   2.054599087  -0.325625653
N       -2.312194465   2.189832501   0.024563871
C       -1.249955152   2.238377014  -0.967439328
C        0.075297310   1.694809126  -0.450806422
S        0.146351286  -0.103859768  -0.132480934
C      -11.141428829   0.787291764   1.954961064
O      -10.910503694   0.692146464   0.562810802
P      -12.210083211   1.009010881  -0.442101582
O      -11.656417490   0.936142924  -1.821883212
O      -13.009980690   2.158777829   0.108891622
C       -9.199007542  -0.834328878   2.227305256
O       -7.853404232   1.241954243   3.921539239
O       -8.680869459   3.055439311   1.059194247
O       -3.989769985   1.958490304  -1.501723373
H       -9.479061830   2.451870624   3.372762947
H       -8.290616681   0.789892434   4.669969732
H       -6.655694361   0.903833764   2.175275014
H       -2.080273743   2.419507044   0.987229327
H       -0.959400765  -0.160897512   0.645914224
H      -11.954733892   0.088741109   2.237094122
H      -11.475731958   1.806072271   2.229754292
H      -11.175559320  -0.753086854   4.120456412
H       -9.664113692  -0.304069072   4.891092241
H      -10.949956867   0.922275622   4.662950828
H       -8.301621868  -1.074613959   2.819951610
H       -9.875340857  -1.701569312   2.262144644
H       -8.916256261  -0.671344144   1.180953752
H       -6.381609291   2.997038873   0.077578839
H       -6.210298342   1.329716027  -0.452690104
H       -4.400818190   1.011975732   1.367684512
H       -4.410150826   2.758466595   1.589949837
H       -1.065542757   3.275420610  -1.308585102
H       -1.600594569   1.671027969  -1.840313366
H        0.412591080   2.245219190   0.442771494
H        0.830028135   1.858312633  -1.230930035
O      -13.126728497  -0.363594907  -0.127076913
H      -14.036379967  -0.044454159   0.036660975
    44

C       -5.909159266   2.198411040   5.443807293
C       -5.588213931   1.108836565   6.475456952
C       -4.091382379   0.671968847   6.345816602
C       -3.118176844   1.850193546   6.510776786
N       -2.522060804   2.216862387   5.349035777
C       -1.581523595   3.310195458   5.245360588
C       -0.513420356   3.058000441   4.180695493
C       -1.035984515   3.239682269   2.756919664
N       -0.409149730   2.503635569   1.792624498
C       -0.871953085   2.545272787   0.414544889
C        0.000942954   1.712183619  -0.509196072
S        0.017289818  -0.053513242   0.005642989
C       -6.495669498  -0.120563513   6.250271638
O       -6.289099201  -0.689731229   4.955072309
P       -7.518449109  -1.545575122   4.177617699
O       -6.897967599  -1.967275736   2.894024390
O       -8.794040871  -0.767564025   4.334620960
C       -5.887655275   1.614015955   7.892773736
O       -3.828604198   0.052463368   5.089070900
O       -2.904946004   2.398226147   7.602699571
O       -1.936315954   4.033290005   2.472451926
H       -3.865265403  -0.027130863   7.179246429
H       -4.681581624  -0.388762219   4.799447373
H       -2.854167526   1.703825690   4.529663773
H        0.217160429   1.747454792   2.060642874
H        1.022147587  -0.421356988  -0.822118191
H       -6.281498942  -0.883935745   7.023677037
H       -7.551477915   0.186391333   6.350571003
H       -5.357208093   3.123847703   5.664428263
H       -5.649025288   1.871874650   4.428700129
H       -6.983403625   2.430126073   5.445824989
H       -5.667214498   0.846921365   8.650782725
H       -5.287374922   2.497250191   8.142464439
H       -6.954252516   1.874742841   7.973475106
H       -1.120552754   3.428974140   6.237341855
H       -2.101741129   4.252365784   5.002694636
H       -0.061565429   2.061613132   4.312886871
H        0.295468259   3.796917861   4.313418482
H       -0.848232476   3.588783328   0.060611496
H       -1.926237887   2.227097273   0.361940126
H        1.029936966   2.096041956  -0.512827538
H       -0.404394345   1.776553002  -1.526976588
O       -7.648760605  -2.851116261   5.198415338
H       -8.547914823  -2.785944176   5.568489786
    44

C        2.982514927  -5.407933606  -0.650676051
C        1.984303142  -4.979347759  -1.739700184
C        1.758213889  -3.440043098  -1.626945298
C        1.038538533  -2.816543080  -2.821359230
N        1.667614586  -1.745966171  -3.387204590
C        1.039609890  -0.993823838  -4.456490637
C        1.756711300   0.315573622  -4.743588126
C        1.845630961   1.362172934  -3.635326255
N        1.002362399   1.231141614  -2.575163474
C        1.105548315   2.122989431  -1.431238007
C        0.034783831   1.827359359  -0.395187802
S        0.258475489   0.141957015   0.298590639
C        0.648617041  -5.711260890  -1.491558364
O        0.101569844  -5.282903041  -0.251530271
P       -1.094175685  -6.188733275   0.485437489
O       -1.507905585  -5.383380860   1.667116995
O       -0.661387644  -7.630222710   0.536689289
C        2.526899168  -5.360719482  -3.121665704
O        2.997752729  -2.708233469  -1.458532911
O       -0.053825815  -3.221315643  -3.229830451
O        2.638237844   2.304417132  -3.728131187
H        1.107050652  -3.277850720  -0.748133585
H        3.307375245  -2.873427224  -0.551072215
H        2.556282393  -1.459914384  -2.982298023
H        0.560863698   0.329834042  -2.408914921
H       -1.037998988  -0.112299526   0.574426435
H       -0.060315684  -5.494919885  -2.306821864
H        0.843730030  -6.800631058  -1.469751037
H        2.608495845  -5.159622777   0.354324126
H        3.106565795  -6.499648238  -0.680976624
H        3.974569194  -4.957322526  -0.809803906
H        3.474867589  -4.836681891  -3.320966729
H        2.720950991  -6.442514602  -3.172808300
H        1.813764709  -5.103735676  -3.919833533
H       -0.019034661  -0.826560540  -4.196366710
H        1.019509131  -1.604913667  -5.372790384
H        1.262346061   0.813753391  -5.594811578
H        2.789280243   0.126302004  -5.075974883
H        0.996099577   3.155194512  -1.790251868
H        2.109780006   2.054920812  -0.977367880
H       -0.960411051   1.897947486  -0.847851814
H        0.095599813   2.573931042   0.405520874
O       -2.287728562  -6.102011073  -0.676711298
H       -2.363300185  -7.009585687  -1.027689151
    44

C       -2.338799656   9.272392542   1.150147727
C       -2.405678548  10.115795387  -0.129675040
C       -1.149204952   9.843872931  -1.019534292
C       -0.979105754   8.357241599  -1.360489377
N        0.199802725   7.823196319  -0.939946869
C        0.464369833   6.406913865  -1.057031781
C        1.949681569   6.063678321  -0.944400875
C        2.320113392   4.579284758  -0.890539362
N        1.296810618   3.707925304  -0.663749555
C        1.467192785   2.272264366  -0.491114595
C        0.095026423   1.608298008  -0.489179095
S        0.147594565  -0.202846862  -0.302672854
C       -2.457423617  11.617944458   0.218132334
O       -1.292648644  12.025344088   0.944992550
P       -1.293918223  13.521690665   1.731858796
O        0.050785849  13.602929857   2.361889983
O       -2.614178696  13.667782359   2.432509033
C       -3.706607205   9.804803349  -0.888147771
O        0.057921226  10.303255635  -0.418053472
O       -1.837859048   7.698791193  -1.967011928
O        3.488628809   4.204005984  -1.025264745
H       -1.314136933  10.363723720  -1.986190376
H       -0.188896681  11.067692152   0.184838765
H        0.772172839   8.446057135  -0.364839090
H        0.363457620   4.083631155  -0.529933692
H        0.429023875  -0.219440322   1.020362140
H       -2.526865021  12.215893932  -0.711256411
H       -3.353381094  11.820950421   0.830910075
H       -2.399065147   8.199747192   0.905535381
H       -1.412651696   9.464721042   1.708198723
H       -3.183974267   9.523008222   1.807346766
H       -3.772262883   8.736880931  -1.128187254
H       -4.565744582  10.086642644  -0.257715518
H       -3.777427724  10.363858288  -1.835763251
H        0.049599422   6.076822616  -2.022683476
H       -0.111923663   5.876316004  -0.272475863
H        2.384619318   6.510180846  -0.032316483
H        2.510242606   6.492943061  -1.787119851
H        1.993824899   2.064445054   0.456264258
H        2.092973140   1.868046006  -1.299623307
H       -0.418629833   1.784050427  -1.447251311
H       -0.546442283   2.043548799   0.292317591
O       -1.336626706  14.530776435   0.410135596
H       -2.159158657  15.048468114   0.493166775
