 20
001
  C   -2.074142   -0.835449    1.809036
  C   -0.663467   -0.780853    2.324234
  C   -0.280655    0.505951    2.323532
  C   -1.432465    1.321945    1.807846
  O   -2.500946    0.465546    1.512161
  O   -2.864944   -1.715530    1.606445
  H   -0.102158   -1.667542    2.616638
  H    0.674042    0.941956    2.615433
  O   -1.613861    2.491043    1.603836
  C    0.290833   -1.592331   -1.080353
  C    1.501633   -1.491135   -0.485443
  C    1.919739   -0.087845   -0.486145
  C    0.961533    0.658951   -1.081543
  C   -0.165268   -0.231155   -1.521942
  H   -0.299362   -2.491043   -1.246841
  H    2.104736   -2.295731   -0.069443
  H    2.864944    0.255753   -0.070648
  H    0.959335    1.733841   -1.249146
  H   -0.312759   -0.187744   -2.616638
  H   -1.126266    0.055344   -1.055740
 20
001
  C   -2.074142   -0.835449    1.809036
  C   -0.663467   -0.780853    2.324234
  C   -0.280655    0.505951    2.323532
  C   -1.432465    1.321945    1.807846
  O   -2.500946    0.465546    1.512161
  O   -2.864944   -1.715530    1.606445
  H   -0.102158   -1.667542    2.616638
  H    0.674042    0.941956    2.615433
  O   -1.613861    2.491043    1.603836
  C    0.290833   -1.592331   -1.080353
  C    1.501633   -1.491135   -0.485443
  C    1.919739   -0.087845   -0.486145
  C    0.961533    0.658951   -1.081543
  C   -0.165268   -0.231155   -1.521942
  H   -0.299362   -2.491043   -1.246841
  H    2.104736   -2.295731   -0.069443
  H    2.864944    0.255753   -0.070648
  H    0.959335    1.733841   -1.249146
  H   -0.312759   -0.187744   -2.616638
  H   -1.126266    0.055344   -1.055740
 20
002
  C   -2.066696   -0.838959    1.806488
  C   -0.647705   -0.787064    2.298492
  C   -0.264800    0.499741    2.297897
  C   -1.424805    1.318436    1.805588
  O   -2.498795    0.463638    1.525009
  O   -2.860291   -1.718246    1.610886
  H   -0.081009   -1.675552    2.575897
  H    0.695496    0.934036    2.574890
  O   -1.608810    2.488342    1.608887
  C    0.279297   -1.590149   -1.046295
  C    1.493896   -1.490448   -0.458694
  C    1.912400   -0.087265   -0.459198
  C    0.950592    0.660934   -1.046997
  C   -0.179108   -0.227966   -1.482300
  H   -0.312210   -2.488342   -1.210892
  H    2.099396   -2.296051   -0.048294
  H    2.860291    0.255341   -0.048996
  H    0.947600    1.736343   -1.212494
  H   -0.333405   -0.182266   -2.575897
  H   -1.137100    0.057739   -1.009888
 20
003
  C   -2.057083   -0.843597    1.803787
  C   -0.627700   -0.794907    2.264893
  C   -0.244705    0.491806    2.264496
  C   -1.414902    1.313797    1.803100
  O   -2.495987    0.461197    1.543213
  O   -2.853882   -1.721878    1.616791
  H   -0.054306   -1.685486    2.522095
  H    0.722397    0.923798    2.521500
  O   -1.601898    2.484802    1.615295
  C    0.263992   -1.587280   -1.000885
  C    1.483597   -1.489380   -0.423187
  C    1.902390   -0.086304   -0.423492
  C    0.935898    0.663803   -1.001190
  C   -0.197403   -0.223800   -1.429794
  H   -0.329010   -2.484787   -1.162888
  H    2.092300   -2.296387   -0.019897
  H    2.853897    0.255005   -0.020187
  H    0.931793    1.739502   -1.163696
  H   -0.360397   -0.175293   -2.522095
  H   -1.152008    0.061096   -0.948990
 20
004
  C   -2.045288   -0.849152    1.800735
  C   -0.603897   -0.804245    2.222931
  C   -0.220703    0.482544    2.222733
  C   -1.402908    1.308350    1.800339
  O   -2.492081    0.458252    1.567352
  O   -2.845581   -1.726334    1.623734
  H   -0.022995   -1.696335    2.454239
  H    0.753600    0.911545    2.453934
  O   -1.593094    2.480347    1.622742
  C    0.244904   -1.583435   -0.943649
  C    1.470795   -1.487839   -0.379044
  C    1.890000   -0.084747   -0.379150
  C    0.917404    0.667542   -0.943649
  C   -0.220505   -0.218552   -1.363846
  H   -0.350296   -2.480331   -1.102051
  H    2.083405   -2.296143    0.014847
  H    2.845596    0.254852    0.014954
  H    0.911606    1.743851   -1.102249
  H   -0.393906   -0.166656   -2.454254
  H   -1.170197    0.065155   -0.873352
 20
005
  C   -2.029388   -0.857452    1.796295
  C   -0.572708   -0.817352    2.161392
  C   -0.189300    0.469650    2.161300
  C   -1.386703    1.300140    1.796188
  O   -2.486389    0.453140    1.602814
  O   -2.834290   -1.733444    1.634491
  H    0.018692   -1.712234    2.354294
  H    0.795395    0.894943    2.354187
  O   -1.581207    2.473846    1.633987
  C    0.215500   -1.578232   -0.858292
  C    1.451889   -1.486038   -0.316193
  C    1.871490   -0.083054   -0.315994
  C    0.888596    0.672745   -0.857895
  C   -0.255310   -0.211258   -1.266190
  H   -0.383408   -2.473846   -1.009384
  H    2.071198   -2.296936    0.062714
  H    2.834290    0.254547    0.063202
  H    0.879593    1.750244   -1.008789
  H   -0.442000   -0.155151   -2.354294
  H   -1.199600    0.070953   -0.763992
 20
006
  C   -2.015182   -0.866653    1.790833
  C   -0.545410   -0.830353    2.097733
  C   -0.161911    0.456848    2.097626
  C   -1.372100    1.291550    1.790726
  O   -2.479996    0.446747    1.634644
  O   -2.824692   -1.741837    1.649033
  H    0.054688   -1.727036    2.252731
  H    0.831192    0.878845    2.252731
  O   -1.570800    2.467148    1.648834
  C    0.183000   -1.573135   -0.766556
  C    1.433594   -1.485336   -0.256256
  C    1.853394   -0.082458   -0.255951
  C    0.856598    0.677841   -0.765961
  C   -0.292007   -0.204651   -1.165054
  H   -0.422012   -2.467133   -0.904251
  H    2.061096   -2.299042    0.102539
  H    2.824692    0.252548    0.103241
  H    0.841888    1.757355   -0.903259
  H   -0.482407   -0.147354   -2.252747
  H   -1.235703    0.077545   -0.662354
 20
007
  C   -1.998352   -0.881592    1.775696
  C   -0.514664   -0.849700    1.999695
  C   -0.130661    0.438705    1.999695
  C   -1.354858    1.277405    1.775787
  O   -2.470642    0.434600    1.669907
  O   -2.816040   -1.755280    1.677200
  H    0.090942   -1.748276    2.122300
  H    0.868042    0.859009    2.122300
  O   -1.561066    2.456300    1.677200
  C    0.131042   -1.566681   -0.623795
  C    1.410141   -1.487579   -0.184296
  C    1.829941   -0.085495   -0.183900
  C    0.804733    0.683700   -0.622986
  C   -0.343262   -0.198502   -1.026794
  H   -0.488266   -2.456284   -0.723694
  H    2.051743   -2.306580    0.135712
  H    2.816040    0.245804    0.136505
  H    0.776138    1.767303   -0.722397
  H   -0.496368   -0.152390   -2.122300
  H   -1.306259    0.089508   -0.569200
 20
008
  C   -1.983627   -0.895004    1.737640
  C   -0.492249   -0.867294    1.887527
  C   -0.106949    0.425200    1.887436
  C   -1.339844    1.264800    1.737640
  O   -2.459030    0.422500    1.687256
  O   -2.812332   -1.762985    1.692154
  H    0.106445   -1.764191    2.051132
  H    0.885147    0.847900    2.051132
  O   -1.558350    2.444900    1.692245
  C    0.086349   -1.559982   -0.508255
  C    1.394958   -1.489883   -0.150848
  C    1.813950   -0.091202   -0.150345
  C    0.759247    0.686707   -0.507553
  C   -0.376953   -0.197006   -0.944855
  H   -0.545547   -2.444885   -0.564056
  H    2.047546   -2.314590    0.130554
  H    2.812347    0.238602    0.131454
  H    0.717651    1.773407   -0.562744
  H   -0.447250   -0.175491   -2.051147
  H   -1.372849    0.101105   -0.575653
 20
009
  C   -1.971481   -0.905106    1.673187
  C   -0.475098   -0.888306    1.729294
  C   -0.084198    0.422791    1.729294
  C   -1.327300    1.255997    1.673187
  O   -2.445084    0.412598    1.672592
  O   -2.812485   -1.764100    1.671890
  H    0.102295   -1.758987    2.045288
  H    0.875702    0.835098    2.045593
  O   -1.561005    2.435196    1.672089
  C    0.041900   -1.543091   -0.420898
  C    1.390594   -1.484192   -0.164291
  C    1.804000   -0.104400   -0.163788
  C    0.709702    0.686386   -0.420197
  C   -0.397507   -0.196609   -0.936584
  H   -0.581192   -2.435196   -0.477295
  H    2.047195   -2.320892    0.069305
  H    2.812500    0.233200    0.070206
  H    0.679703    1.774094   -0.475998
  H   -0.363800   -0.206314   -2.045593
  H   -1.423096    0.110489   -0.671890
 20
010
  C   -1.968597   -0.906600    1.640091
  C   -0.469803   -0.906600    1.640091
  C   -0.070007    0.434387    1.640091
  C   -1.324203    1.254898    1.640091
  O   -2.441391    0.410995    1.647980
  O   -2.814194   -1.762497    1.645691
  H    0.089691   -1.740800    2.070084
  H    0.854889    0.826187    2.070190
  O   -1.563507    2.434097    1.645889
  C    0.015396   -1.527893   -0.391403
  C    1.400100   -1.472900   -0.188995
  C    1.805389   -0.120102   -0.188600
  C    0.679291    0.687393   -0.390700
  C   -0.403412   -0.195206   -0.963898
  H   -0.582397   -2.434097   -0.495500
  H    2.048889   -2.322098    0.021805
  H    2.814194    0.232498    0.022400
  H    0.678192    1.773193   -0.493805
  H   -0.338303   -0.214400   -2.070206
  H   -1.436203    0.114395   -0.728897
 20
011
  C   -1.968002   -0.907089    1.619705
  C   -0.467407   -0.924591    1.579697
  C   -0.058105    0.447600    1.579803
  C   -1.323608    1.254593    1.619705
  O   -2.440094    0.410492    1.630295
  O   -2.816193   -1.761490    1.627090
  H    0.078491   -1.724396    2.089386
  H    0.836395    0.817795    2.089890
  O   -1.565903    2.433900    1.627289
  C   -0.006012   -1.516891   -0.370895
  C    1.410889   -1.463684   -0.206802
  C    1.809296   -0.134003   -0.206300
  C    0.654892    0.689500   -0.370193
  C   -0.406800   -0.194397   -0.985992
  H   -0.579498   -2.433884   -0.520096
  H    2.049896   -2.324188   -0.012300
  H    2.816193    0.233093   -0.011398
  H    0.680100    1.770889   -0.518800
  H   -0.328110   -0.217697   -2.089890
  H   -1.443100    0.115891   -0.763900
 20
012
  C   -1.968307   -0.908630    1.603455
  C   -0.465210   -0.942841    1.525055
  C   -0.046997    0.459244    1.525162
  C   -1.323700    1.253555    1.603348
  O   -2.438995    0.408844    1.617340
  O   -2.818283   -1.761429    1.613235
  H    0.067795   -1.707138    2.103241
  H    0.817200    0.806747    2.103943
  O   -1.568405    2.432449    1.613434
  C   -0.026108   -1.507629   -0.346344
  C    1.419600   -1.458328   -0.219940
  C    1.812897   -0.145645   -0.219543
  C    0.632294    0.690353   -0.345642
  C   -0.410400   -0.194748   -1.002747
  H   -0.576706   -2.432434   -0.538544
  H    2.050995   -2.327942   -0.044144
  H    2.818298    0.233353   -0.043243
  H    0.680800    1.765747   -0.537338
  H   -0.316498   -0.222549   -2.103943
  H   -1.449707    0.116455   -0.794540
 20
013
  C   -1.968506   -0.912079    1.588303
  C   -0.462311   -0.962372    1.466400
  C   -0.035507    0.468506    1.466492
  C   -1.323608    1.251100    1.588303
  O   -2.436798    0.405212    1.609390
  O   -2.820694   -1.762375    1.603683
  H    0.057098   -1.687775    2.109283
  H    0.795898    0.790909    2.110184
  O   -1.571411    2.429200    1.603882
  C   -0.046509   -1.498886   -0.310806
  C    1.425491   -1.456680   -0.228897
  C    1.815186   -0.155594   -0.228409
  C    0.608597    0.688904   -0.310104
  C   -0.414612   -0.196396   -1.012894
  H   -0.575012   -2.429184   -0.545502
  H    2.051285   -2.334778   -0.080109
  H    2.820694    0.233612   -0.079102
  H    0.678696    1.756607   -0.544296
  H   -0.296509   -0.231491   -2.110200
  H   -1.457900    0.115906   -0.827606
 20
014
  C   -1.965805   -0.919189    1.567688
  C   -0.456314   -0.988586    1.378494
  C   -0.018906    0.477493    1.378693
  C   -1.320206    1.246002    1.567596
  O   -2.428589    0.397598    1.610275
  O   -2.822296   -1.764191    1.600571
  H    0.047485   -1.660889    2.095978
  H    0.770294    0.763900    2.096985
  O   -1.574600    2.421997    1.600784
  C   -0.073410   -1.487091   -0.239807
  C    1.428497   -1.458191   -0.230300
  C    1.815598   -0.165405   -0.229813
  C    0.576691    0.684296   -0.239105
  C   -0.419113   -0.200302   -1.009308
  H   -0.575912   -2.421982   -0.525604
  H    2.048492   -2.347290   -0.138412
  H    2.822296    0.236298   -0.137405
  H    0.670990    1.741592   -0.524506
  H   -0.246002   -0.251907   -2.097000
  H   -1.469315    0.113998   -0.877213
 20
015
  C   -1.960938   -0.922989    1.550949
  C   -0.452240   -1.001190    1.324249
  C   -0.009338    0.483185    1.324539
  C   -1.314743    1.243881    1.550842
  O   -2.418030    0.392990    1.616333
  O   -2.820633   -1.763397    1.602631
  H    0.046356   -1.644791    2.075729
  H    0.759659    0.748291    2.076736
  O   -1.574448    2.417694    1.602829
  C   -0.087143   -1.481003   -0.192352
  C    1.427948   -1.458191   -0.226456
  C    1.814255   -0.167816   -0.225952
  C    0.560852    0.683990   -0.191650
  C   -0.418945   -0.201904   -0.998749
  H   -0.577942   -2.417694   -0.500458
  H    2.043549   -2.353394   -0.181061
  H    2.820648    0.241592   -0.179962
  H    0.665955    1.736389   -0.499359
  H   -0.200851   -0.266907   -2.076752
  H   -1.472748    0.113495   -0.910156
 20
016
  C   -1.955505   -0.923782    1.532013
  C   -0.451492   -1.004990    1.290802
  C   -0.005493    0.489304    1.291000
  C   -1.308807    1.245102    1.531906
  O   -2.405487    0.391205    1.621796
  O   -2.817688   -1.759689    1.603790
  H    0.046295   -1.631790    2.058792
  H    0.753494    0.740800    2.059891
  O   -1.572906    2.416504    1.603897
  C   -0.093796   -1.478378   -0.167786
  C    1.426498   -1.455383   -0.223495
  C    1.812500   -0.165695   -0.222885
  C    0.554794    0.688904   -0.167100
  C   -0.415894   -0.200897   -0.990997
  H   -0.580002   -2.416489   -0.482498
  H    2.038498   -2.353882   -0.218994
  H    2.817703    0.248596   -0.217789
  H    0.664398    1.740005   -0.481400
  H   -0.161102   -0.276900   -2.059891
  H   -1.471298    0.114807   -0.937988
 20
017
  C   -1.952759   -0.922043    1.517593
  C   -0.456146   -1.001648    1.271591
  C   -0.008652    0.497940    1.271988
  C   -1.304459    1.251236    1.517593
  O   -2.387131    0.390839    1.656387
  O   -2.818634   -1.750549    1.617584
  H    0.039352   -1.617447    2.050980
  H    0.742645    0.741333    2.051987
  O   -1.575546    2.418640    1.617477
  C   -0.092255   -1.478943   -0.159912
  C    1.428345   -1.450653   -0.206909
  C    1.814041   -0.160568   -0.206207
  C    0.558441    0.697830   -0.159103
  C   -0.398956   -0.201263   -0.992798
  H   -0.575256   -2.418640   -0.475998
  H    2.040146   -2.348953   -0.229111
  H    2.818649    0.254333   -0.227707
  H    0.670746    1.748642   -0.474808
  H   -0.108749   -0.287659   -2.052002
  H   -1.454849    0.114243   -0.974304
