 20
001
  C   -1.878082   -0.729752   -1.467331
  C   -0.447906   -0.680847   -1.927841
  C   -0.065811    0.606049   -1.927734
  C   -1.237808    1.427353   -1.467041
  O   -2.318481    0.574554   -1.210541
  O   -2.672684   -1.610443   -1.282333
  H    0.124191   -1.570435   -2.188034
  H    0.899094    1.039352   -2.187836
  O   -1.423203    2.598846   -1.281631
  C    0.603790   -1.518936    1.350845
  C   -0.404100   -0.760147    1.838440
  C    0.010895    0.644852    1.838745
  C    1.269302    0.734451    1.351044
  C    1.768204   -0.637848    0.996353
  H    0.624100   -2.598831    1.222946
  H   -1.379211   -1.096237    2.187241
  H   -0.625107    1.456543    2.188049
  H    1.873093    1.630142    1.223251
  H    2.672700   -0.905045    1.571854
  H    2.026489   -0.714050   -0.076157
 20
001
  C   -1.878082   -0.729752   -1.467331
  C   -0.447906   -0.680847   -1.927841
  C   -0.065811    0.606049   -1.927734
  C   -1.237808    1.427353   -1.467041
  O   -2.318481    0.574554   -1.210541
  O   -2.672684   -1.610443   -1.282333
  H    0.124191   -1.570435   -2.188034
  H    0.899094    1.039352   -2.187836
  O   -1.423203    2.598846   -1.281631
  C    0.603790   -1.518936    1.350845
  C   -0.404100   -0.760147    1.838440
  C    0.010895    0.644852    1.838745
  C    1.269302    0.734451    1.351044
  C    1.768204   -0.637848    0.996353
  H    0.624100   -2.598831    1.222946
  H   -1.379211   -1.096237    2.187241
  H   -0.625107    1.456543    2.188049
  H    1.873093    1.630142    1.223251
  H    2.672700   -0.905045    1.571854
  H    2.026489   -0.714050   -0.076157
 20
002
  C   -1.865280   -0.733200   -1.451233
  C   -0.429794   -0.686005   -1.895142
  C   -0.047592    0.600906   -1.895142
  C   -1.224792    1.423798   -1.451233
  O   -2.308975    0.572205   -1.205841
  O   -2.661484   -1.613388   -1.270538
  H    0.145798   -1.576691   -2.144135
  H    0.920807    1.032898   -2.144135
  O   -1.411697    2.595900   -1.270340
  C    0.593903   -1.515686    1.321655
  C   -0.417297   -0.755798    1.800552
  C   -0.002197    0.649094    1.800842
  C    1.259705    0.737700    1.321945
  C    1.761002   -0.635406    0.973755
  H    0.615097   -2.595886    1.196152
  H   -1.394897   -1.091187    2.143250
  H   -0.640503    1.461700    2.144150
  H    1.864502    1.632996    1.196655
  H    2.661500   -0.901581    1.555954
  H    2.026200   -0.713700   -0.097153
 20
003
  C   -1.849426   -0.737396   -1.433548
  C   -0.407043   -0.692398   -1.854340
  C   -0.024750    0.594498   -1.854446
  C   -1.208740    1.419693   -1.433746
  O   -2.297531    0.569397   -1.203751
  O   -2.647934   -1.616882   -1.259247
  H    0.173157   -1.584290   -2.087646
  H    0.948349    1.024902   -2.087936
  O   -1.397751    2.592392   -1.259445
  C    0.582458   -1.511780    1.282745
  C   -0.432739   -0.750595    1.751450
  C   -0.017441    0.654297    1.751740
  C    1.248352    0.741592    1.283051
  C    1.752655   -0.632507    0.942841
  H    0.604355   -2.592392    1.159851
  H   -1.413147   -1.085083    2.087051
  H   -0.658539    1.467697    2.087952
  H    1.854156    1.636703    1.160339
  H    2.647949   -0.897186    1.533539
  H    2.026764   -0.713394   -0.125656
 20
004
  C   -1.826736   -0.743652   -1.414734
  C   -0.373947   -0.701950   -1.797836
  C    0.008560    0.585037   -1.798035
  C   -1.185852    1.413452   -1.415039
  O   -2.281036    0.565048   -1.209061
  O   -2.628937   -1.622238   -1.252441
  H    0.212952   -1.595734   -2.006332
  H    0.988251    1.013245   -2.006836
  O   -1.378250    2.587540   -1.253036
  C    0.566956   -1.506744    1.219940
  C   -0.452148   -0.744354    1.678040
  C   -0.036743    0.660645    1.678452
  C    1.233154    0.746643    1.220352
  C    1.741455   -0.628754    0.891052
  H    0.589355   -2.587540    1.098846
  H   -1.435638   -1.077835    2.005951
  H   -0.680847    1.475052    2.006851
  H    1.839554    1.641541    1.099442
  H    2.628952   -0.891235    1.494553
  H    2.029556   -0.713760   -0.173660
 20
005
  C   -1.789337   -0.754150   -1.405197
  C   -0.321060   -0.717148   -1.722290
  C    0.061539    0.570251   -1.722595
  C   -1.148163    1.403244   -1.405792
  O   -2.252045    0.557343   -1.237915
  O   -2.597641   -1.631836   -1.270600
  H    0.274048   -1.614441   -1.890198
  H    1.050247    0.996552   -1.890991
  O   -1.345856    2.580048   -1.271591
  C    0.546341   -1.499832    1.101288
  C   -0.471863   -0.737549    1.562790
  C   -0.056351    0.667252    1.563187
  C    1.212646    0.753448    1.101593
  C    1.727249   -0.623856    0.788696
  H    0.565643   -2.580032    0.972794
  H   -1.455551   -1.071136    1.890091
  H   -0.700562    1.481949    1.890991
  H    1.816345    1.649445    0.973389
  H    2.597641   -0.881332    1.419296
  H    2.047943   -0.718552   -0.265503
 20
006
  C   -1.739395   -0.767853   -1.419128
  C   -0.257004   -0.735641   -1.653931
  C    0.126083    0.553055   -1.654236
  C   -1.097916    1.389847   -1.419739
  O   -2.209793    0.546249   -1.298553
  O   -2.554688   -1.644928   -1.328430
  H    0.341385   -1.637039   -1.787430
  H    1.119797    0.980957   -1.788239
  O   -1.301712    2.569946   -1.329636
  C    0.527985   -1.492737    0.935745
  C   -0.475204   -0.734848    1.439148
  C   -0.059814    0.669357    1.439545
  C    1.194092    0.759949    0.936157
  C    1.717590   -0.619644    0.643845
  H    0.536591   -2.569931    0.781647
  H   -1.450806   -1.071533    1.787247
  H   -0.695511    1.482254    1.788254
  H    1.787292    1.659256    0.782257
  H    2.554688   -0.867340    1.323547
  H    2.102188   -0.733353   -0.385757
 20
007
  C   -1.686737   -0.780457   -1.422485
  C   -0.196548   -0.752045   -1.584183
  C    0.187653    0.539948   -1.584381
  C   -1.045059    1.377945   -1.422989
  O   -2.161041    0.535141   -1.354004
  O   -2.511536   -1.652634   -1.380081
  H    0.398041   -1.652634   -1.742279
  H    1.177643    0.969254   -1.742889
  O   -1.259247    2.559143   -1.381378
  C    0.519150   -1.485535    0.793900
  C   -0.458649   -0.734955    1.361008
  C   -0.044052    0.666641    1.361404
  C    1.184647    0.764954    0.794296
  C    1.721054   -0.617249    0.529907
  H    0.513641   -2.559143    0.613800
  H   -1.420059   -1.077637    1.741806
  H   -0.664459    1.476852    1.742905
  H    1.763947    1.668945    0.614395
  H    2.511551   -0.851242    1.270096
  H    2.181854   -0.753448   -0.463898
 20
008
  C   -1.648788   -0.788803   -1.411285
  C   -0.155396   -0.764008   -1.521088
  C    0.230500    0.533905   -1.521286
  C   -1.006805    1.370590   -1.411789
  O   -2.122879    0.527298   -1.378998
  O   -2.481384   -1.654984   -1.400284
  H    0.433197   -1.655884   -1.741989
  H    1.210800    0.959198   -1.742493
  O   -1.230804    2.550995   -1.401596
  C    0.517700   -1.478790    0.712189
  C   -0.437698   -0.734802    1.334488
  C   -0.024704    0.661392    1.334991
  C    1.181595    0.766495    0.712600
  C    1.733902   -0.617600    0.482391
  H    0.502304   -2.550980    0.522202
  H   -1.385696   -1.084686    1.741394
  H   -0.630005    1.470398    1.742493
  H    1.751892    1.674698    0.522995
  H    2.481400   -0.838791    1.270996
  H    2.252502   -0.770905   -0.479202
 20
009
  C   -1.612595   -0.797058   -1.382935
  C   -0.115906   -0.783752   -1.420929
  C    0.276093    0.535049   -1.421036
  C   -0.970200    1.363846   -1.383530
  O   -2.085388    0.519547   -1.377640
  O   -2.454285   -1.655838   -1.394424
  H    0.456100   -1.643936   -1.776733
  H    1.225296    0.942841   -1.776932
  O   -1.205597    2.543152   -1.395737
  C    0.513397   -1.465240    0.639053
  C   -0.415604   -0.726456    1.341553
  C   -0.008911    0.648544    1.341949
  C    1.172394    0.763641    0.639450
  C    1.754990   -0.620560    0.474060
  H    0.498200   -2.543137    0.479050
  H   -1.345000   -1.093933    1.776047
  H   -0.589111    1.462051    1.776947
  H    1.746002    1.676453    0.480057
  H    2.454300   -0.827438    1.309357
  H    2.328200   -0.789948   -0.452850
 20
010
  C   -1.602341   -0.799240   -1.363892
  C   -0.103348   -0.799240   -1.363892
  C    0.295547    0.543152   -1.363892
  C   -0.959747    1.362045   -1.364578
  O   -2.074936    0.517349   -1.363892
  O   -2.447830   -1.655533   -1.379578
  H    0.454758   -1.630127   -1.804382
  H    1.217148    0.934357   -1.803879
  O   -1.199448    2.541351   -1.380890
  C    0.509048   -1.457428    0.612000
  C   -0.411545   -0.715454    1.361008
  C   -0.011154    0.638947    1.361206
  C    1.165054    0.761459    0.612305
  C    1.763657   -0.621948    0.488403
  H    0.501144   -2.541336    0.491608
  H   -1.331543   -1.097229    1.803894
  H   -0.575455    1.459549    1.804398
  H    1.747955    1.675446    0.492905
  H    2.447845   -0.824738    1.335907
  H    2.351654   -0.795853   -0.428696
 20
011
  C   -1.595795   -0.800629   -1.346359
  C   -0.093689   -0.818039   -1.310059
  C    0.314407    0.554749   -1.310059
  C   -0.953200    1.360855   -1.346954
  O   -2.067780    0.515945   -1.349731
  O   -2.443787   -1.655243   -1.364334
  H    0.448105   -1.613541   -1.832230
  H    1.202911    0.924942   -1.832230
  O   -1.196198    2.540054   -1.365738
  C    0.504105   -1.450729    0.585144
  C   -0.411392   -0.702652    1.382248
  C   -0.017502    0.629242    1.382553
  C    1.157700    0.759644    0.585541
  C    1.770600   -0.623459    0.505051
  H    0.505905   -2.540039    0.512451
  H   -1.321091   -1.100937    1.831451
  H   -0.564392    1.458054    1.832245
  H    1.751800    1.672852    0.513641
  H    2.443802   -0.822739    1.360352
  H    2.368607   -0.800232   -0.405853
 20
012
  C   -1.588303   -0.803391   -1.332062
  C   -0.081696   -0.838989   -1.258255
  C    0.335709    0.565598   -1.258255
  C   -0.945496    1.358795   -1.332657
  O   -2.059082    0.513290   -1.340042
  O   -2.438583   -1.655792   -1.353546
  H    0.441605   -1.593689   -1.859238
  H    1.186600    0.911697   -1.859039
  O   -1.191696    2.537491   -1.354843
  C    0.498810   -1.444397    0.551651
  C   -0.410400   -0.693115    1.398941
  C   -0.021896    0.620590    1.399246
  C    1.149811    0.756989    0.552048
  C    1.778610   -0.625900    0.517044
  H    0.511703   -2.537491    0.528046
  H   -1.307495   -1.107391    1.858444
  H   -0.549393    1.455887    1.859238
  H    1.755310    1.667191    0.529343
  H    2.438600   -0.821289    1.381439
  H    2.388107   -0.806198   -0.385956
 20
013
  C   -1.571945   -0.810135   -1.322357
  C   -0.058746   -0.866943   -1.196747
  C    0.369644    0.574844   -1.196655
  C   -0.928757    1.353836   -1.322952
  O   -2.039841    0.506546   -1.342636
  O   -2.426331   -1.658035   -1.353638
  H    0.439255   -1.565338   -1.888336
  H    1.168640    0.887650   -1.887939
  O   -1.180756    2.530838   -1.354935
  C    0.491348   -1.435547    0.488541
  C   -0.403458   -0.688461    1.403641
  C   -0.018951    0.611145    1.403946
  C    1.138351    0.751846    0.488846
  C    1.791245   -0.630661    0.515045
  H    0.519455   -2.530838    0.522949
  H   -1.277054   -1.122742    1.887650
  H   -0.515945    1.450439    1.888351
  H    1.757843    1.655548    0.524353
  H    2.423141   -0.817734    1.399948
  H    2.426346   -0.818436   -0.368652
 20
014
  C   -1.580292   -0.817093   -1.322800
  C   -0.062897   -0.887283   -1.155900
  C    0.372498    0.578598   -1.155700
  C   -0.936493    1.348602   -1.323410
  O   -2.044388    0.499390   -1.360092
  O   -2.438782   -1.659988   -1.368088
  H    0.418808   -1.544693   -1.902786
  H    1.135696    0.865997   -1.902191
  O   -1.194794    2.523697   -1.369492
  C    0.457504   -1.427795    0.421494
  C   -0.419495   -0.689300    1.389496
  C   -0.036606    0.604996    1.389800
  C    1.101303    0.748200    0.421800
  C    1.774002   -0.634109    0.495193
  H    0.496307   -2.523697    0.492096
  H   -1.267593   -1.139893    1.902100
  H   -0.503204    1.444200    1.902802
  H    1.729996    1.646500    0.493591
  H    2.372208   -0.811188    1.403900
  H    2.438797   -0.830688   -0.364014
 20
015
  C   -1.585495   -0.821838   -1.325211
  C   -0.067505   -0.898926   -1.132813
  C    0.372100    0.580948   -1.132614
  C   -0.941406    1.345459   -1.325806
  O   -2.045883    0.494354   -1.378296
  O   -2.447189   -1.660431   -1.383789
  H    0.406998   -1.531937   -1.908493
  H    1.115906    0.851959   -1.907898
  O   -1.204605    2.518646   -1.385086
  C    0.432098   -1.422531    0.370895
  C   -0.430206   -0.690353    1.372284
  C   -0.047897    0.601852    1.372498
  C    1.074203    0.747559    0.371292
  C    1.759003   -0.635147    0.473694
  H    0.476593   -2.518631    0.460190
  H   -1.257004   -1.152832    1.907898
  H   -0.490204    1.439346    1.908493
  H    1.707900    1.643051    0.461685
  H    2.328995   -0.803940    1.401291
  H    2.447205   -0.838638   -0.364502
 20
016
  C   -1.589400   -0.825180   -1.326904
  C   -0.074097   -0.906281   -1.117615
  C    0.368591    0.584305   -1.117416
  C   -0.944809    1.343903   -1.327515
  O   -2.044693    0.490494   -1.398102
  O   -2.453888   -1.659180   -1.400696
  H    0.397400   -1.520187   -1.912796
  H    1.099503    0.841003   -1.912094
  O   -1.212906    2.514800   -1.401993
  C    0.408798   -1.418381    0.326385
  C   -0.439407   -0.690598    1.352783
  C   -0.057297    0.600600    1.352997
  C    1.050690    0.750198    0.326996
  C    1.743300   -0.634003    0.449890
  H    0.456390   -2.514786    0.425995
  H   -1.243408   -1.164291    1.912094
  H   -0.474304    1.435196    1.912796
  H    1.687195    1.644196    0.427689
  H    2.284500   -0.794403    1.395798
  H    2.453903   -0.844193   -0.366806
 20
017
  C   -1.587357   -0.828339   -1.322861
  C   -0.085052   -0.907333   -1.116165
  C    0.360550    0.593246   -1.115860
  C   -0.940948    1.347351   -1.323456
  O   -2.025131    0.485550   -1.438950
  O   -2.455139   -1.654434   -1.427444
  H    0.384949   -1.501343   -1.928741
  H    1.079346    0.834442   -1.927750
  O   -1.216553    2.513245   -1.428940
  C    0.382248   -1.415939    0.274933
  C   -0.444153   -0.687958    1.322540
  C   -0.061752    0.603149    1.322937
  C    1.028244    0.764343    0.275940
  C    1.719147   -0.626251    0.406937
  H    0.428848   -2.513245    0.374130
  H   -1.204453   -1.176636    1.927734
  H   -0.433548    1.426453    1.928741
  H    1.664841    1.659241    0.376236
  H    2.224945   -0.776550    1.373840
  H    2.455139   -0.843933   -0.383362


