   35
1A-DFT	scf done: -1456.357572
Pt    -0.031401     1.846139    -0.766450
 H     2.476284     1.089032    -1.232707
 H    -2.538253     1.086111    -1.232401
 N     2.005700     1.827255    -0.720122
 N    -2.068479     1.824844    -0.719809
Cl    -0.030244    -0.292973    -1.722941
 C     2.781850     2.523427     0.105145
 O     2.354219     3.396187     0.904280
 C    -2.845367     2.520004     0.105619
 O    -2.418710     3.393174     0.904830
 H     0.812608     3.749982     0.569374
 H    -0.877335     3.748940     0.569619
 O    -0.032452     3.766170     0.028177
 C     4.257859     2.248823     0.096262
 C     4.929083     1.745189    -1.021673
 C     4.987180     2.531462     1.254256
 C     6.300408     1.515053    -0.975316
 H     4.386401     1.553805    -1.946168
 C     6.354592     2.288916     1.305692
 H     4.460025     2.943770     2.111300
 C     7.015005     1.779115     0.190197
 H     6.813187     1.132399    -1.855190
 H     6.907980     2.500740     2.218249
 H     8.086602     1.594610     0.226619
 C    -4.321042     2.243614     0.096872
 C    -4.991778     1.739300    -1.021048
 C    -5.050576     2.525244     1.254977
 C    -6.362819     1.507503    -0.974569
 H    -4.448963     1.548675    -1.945623
 C    -6.417689     2.281042     1.306534
 H    -4.523825     2.938097     2.112008
 C    -7.077607     1.770571     0.191052
 H    -6.875230     1.124331    -1.854431
 H    -6.971232     2.492098     2.219174
 H    -8.148977     1.584770     0.227569
   35
1B-DFT	scf done: -1456.334645
Pt    -0.234723     1.795206    -0.603837
 H     2.171400     2.230328    -1.362675
 H    -2.771540     1.483220    -0.043781
 N     1.808492     1.667301    -0.595006
 N    -2.239667     2.016955    -0.723172
Cl    -0.673007     0.223601     1.210011
 C     2.705285     1.091849     0.131783
 O     2.378554     0.299379     1.136167
 C    -2.977427     2.781024    -1.532617
 O    -2.517114     3.572735    -2.379893
 H     1.394584     0.218026     1.199575
 H    -0.694614     3.385479    -2.349620
 O     0.182924     3.051460    -2.084755
 C     4.159606     1.246081    -0.068339
 C     4.679889     2.307634    -0.817243
 C     5.034252     0.323699     0.515958
 C     6.051717     2.434463    -0.988232
 H     4.020139     3.055850    -1.252475
 C     6.405912     0.452912     0.339033
 H     4.630610    -0.496812     1.102721
 C     6.917288     1.507095    -0.412707
 H     6.446937     3.266558    -1.565786
 H     7.077440    -0.272617     0.791908
 H     7.991768     1.609554    -0.546582
 C    -4.475378     2.678952    -1.396536
 C    -5.123464     1.518838    -0.962990
 C    -5.245929     3.786346    -1.760344
 C    -6.511753     1.474499    -0.879116
 H    -4.545202     0.630814    -0.712156
 C    -6.631757     3.748822    -1.663678
 H    -4.733882     4.676146    -2.119441
 C    -7.269103     2.591008    -1.222822
 H    -7.003850     0.561350    -0.550538
 H    -7.218123     4.623890    -1.937036
 H    -8.354446     2.556674    -1.153627
   35
1C-DFT	scf done: -1456.256960
Pt    -0.057729     2.238322    -0.174104
 H     2.122820     1.510435    -1.092847
 H    -2.133465     1.659075    -1.392803
 N     1.953902     2.032475    -0.228927
 N    -2.051237     2.172092    -0.511083
Cl    -0.162962     3.660890     2.024974
 C     2.970097     2.345897     0.495075
 O     2.829894     3.048417     1.608900
 C    -3.134543     2.558377     0.065361
 O    -3.103211     3.254496     1.191516
 H     1.878402     3.275175     1.741209
 H    -2.166193     3.415670     1.456630
 O     0.021158     1.230876    -1.792110
 C     4.363617     1.974406     0.185019
 C     4.657080     0.985780    -0.760892
 C     5.410797     2.611754     0.859336
 C     5.976316     0.649334    -1.032404
 H     3.857269     0.458144    -1.276793
 C     6.729383     2.274072     0.581643
 H     5.182526     3.375883     1.597216
 C     7.015215     1.292956    -0.363582
 H     6.193828    -0.124814    -1.764289
 H     7.536284     2.779030     1.107474
 H     8.047821     1.026414    -0.577337
 C    -4.493334     2.282881    -0.438420
 C    -4.719454     1.311775    -1.420301
 C    -5.577719     2.995202     0.085223
 C    -6.007830     1.066246    -1.875362
 H    -3.893882     0.727060    -1.821289
 C    -6.864681     2.748376    -0.375881
 H    -5.402442     3.745656     0.851092
 C    -7.082844     1.784209    -1.355950
 H    -6.174019     0.305023    -2.633779
 H    -7.700177     3.311046     0.033896
 H    -8.091359     1.588828    -1.713355
   38
Int1-DFT	scf done: -2004.878076
Pt    -0.032739     1.722121    -0.680951
 H     2.480142     1.023855    -1.206712
 H    -2.547923     1.016589    -1.188461
 N     2.001800     1.696787    -0.617234
 N    -2.068374     1.715316    -0.631055
Cl    -0.042604    -0.501481    -1.405472
 C     2.765768     2.427923     0.186540
 O     2.311350     3.262671     1.011575
 C    -2.834285     2.463634     0.155397
 O    -2.383271     3.324068     0.955549
 H     0.811200     3.658671     0.604357
 H    -0.873505     3.680470     0.579046
 O    -0.022102     3.676332     0.039773
 C     4.252620     2.248284     0.117992
 C     4.910646     1.821536    -1.039060
 C     5.005087     2.562561     1.252217
 C     6.296193     1.696618    -1.052183
 H     4.345790     1.611767    -1.946487
 C     6.387644     2.425819     1.242925
 H     4.485018     2.916408     2.139130
 C     7.036905     1.992537     0.088961
 H     6.799057     1.373048    -1.960996
 H     6.961922     2.663745     2.135831
 H     8.120088     1.891880     0.076511
 C    -4.320125     2.270021     0.099762
 C    -4.979948     1.796046    -1.037624
 C    -5.069318     2.611090     1.228411
 C    -6.363757     1.652539    -1.037083
 H    -4.418738     1.563168    -1.941438
 C    -6.450067     2.456188     1.233074
 H    -4.547914     2.999308     2.100006
 C    -7.100897     1.975658     0.098985
 H    -6.868046     1.291966    -1.931068
 H    -7.021534     2.715147     2.121921
 H    -8.182636     1.859840     0.097654
 S     0.074002     2.737879    -3.167256
 O     1.295701     2.140195    -3.729492
 O    -1.181590     2.256862    -3.765320
   38
1-SO2-Adduct1	scf done: -2004.868823
Pt    -0.151974     1.624906    -0.587889
 H     2.335250     0.796130    -1.068429
 H    -2.694271     0.894907    -0.917231
 N     1.883206     1.571407    -0.595071
 N    -2.186483     1.671299    -0.506216
Cl    -0.240373    -0.651566    -1.158571
 C     2.697836     2.381110     0.073391
 O     2.304784     3.352881     0.770657
 C    -2.927474     2.510086     0.212027
 O    -2.459468     3.468383     0.879183
 H     0.772007     3.682067     0.415168
 H    -0.918323     3.731053     0.450956
 O    -0.087690     3.636862    -0.105791
 C     4.173888     2.116285     0.007047
 C     4.771935     1.433183    -1.056472
 C     4.978181     2.589132     1.047121
 C     6.145810     1.217477    -1.069820
 H     4.169316     1.083968    -1.893754
 C     6.349268     2.362228     1.039936
 H     4.506109     3.135969     1.859854
 C     6.937155     1.674618    -0.019403
 H     6.599961     0.693665    -1.908326
 H     6.962900     2.725479     1.861866
 H     8.011164     1.501120    -0.029670
 C    -4.411826     2.296327     0.236756
 C    -5.106859     1.735867    -0.838237
 C    -5.122074     2.702832     1.368891
 C    -6.487120     1.573108    -0.774524
 H    -4.573610     1.448166    -1.743027
 C    -6.498643     2.525106     1.439424
 H    -4.573006     3.157333     2.190369
 C    -7.184781     1.960494     0.366432
 H    -7.020508     1.146859    -1.621511
 H    -7.039296     2.832426     2.332188
 H    -8.263575     1.828765     0.416887
 S     1.125965    -0.428521    -3.758453
 O     0.350786     0.625469    -4.406736
 O     2.422435    -0.032649    -3.208540
   38
1-SO2-Adduct2	scf done: -2004.871017
Pt     0.069327     1.966662    -0.835857
 H     2.537046     1.159242    -1.293798
 H    -2.407727     1.110879    -1.190245
 N     2.121225     1.995883    -0.890173
 N    -1.951177     1.876505    -0.706231
Cl     0.098236    -0.190835    -1.744970
 C     2.888513     2.579518     0.056943
 O     2.459123     3.469210     0.817336
 C    -2.730087     2.578081     0.112101
 O    -2.310463     3.486263     0.874483
 H     0.885048     3.917883     0.451819
 H    -0.792419     3.876127     0.492253
 O     0.039175     3.902766    -0.072048
 C     4.328074     2.179897     0.164372
 C     5.013430     1.503171    -0.850233
 C     5.016071     2.529062     1.330479
 C     6.357023     1.178257    -0.695767
 H     4.513589     1.237300    -1.780043
 C     6.353846     2.192960     1.489968
 H     4.478953     3.066539     2.107677
 C     7.028323     1.517403     0.475301
 H     6.880376     0.660192    -1.496114
 H     6.874583     2.460955     2.406634
 H     8.078007     1.258587     0.595972
 C    -4.196522     2.261084     0.135359
 C    -4.865297     1.698955    -0.956186
 C    -4.920758     2.564081     1.291063
 C    -6.228048     1.430783    -0.884740
 H    -4.329450     1.491224    -1.881118
 C    -6.279876     2.284869     1.367444
 H    -4.396710     3.020829     2.127244
 C    -6.937291     1.716244     0.279026
 H    -6.738250     1.001735    -1.744523
 H    -6.829656     2.514857     2.277771
 H    -8.002435     1.501750     0.334849
 S     2.659795     3.599330    -2.902532
 O     1.444380     3.422542    -3.698468
 O     2.753092     4.837253    -2.126929
   38
1-SO2-Adduct3	scf done: -2004.871871
Pt     0.003387     1.882127    -0.659866
 H     2.500127     1.165118    -1.227795
 H    -2.482919     1.111620    -1.143925
 N     2.042592     1.848365    -0.631559
 N    -2.027485     1.861648    -0.635032
Cl    -0.005042    -0.217383    -1.692462
 C     2.850164     2.469718     0.206388
 O     2.423607     3.250979     1.118202
 C    -2.828777     2.590231     0.136201
 O    -2.422329     3.489289     0.917447
 H     0.785056     3.749735     0.801968
 H    -0.884755     3.785800     0.675142
 O     0.004740     3.776102     0.197511
 C     4.321770     2.236664     0.104879
 C     4.942360     1.922648    -1.108507
 C     5.098302     2.341901     1.262853
 C     6.315074     1.709053    -1.159066
 H     4.356529     1.869804    -2.024772
 C     6.469370     2.119200     1.211644
 H     4.612289     2.596484     2.201499
 C     7.080187     1.802457     0.001019
 H     6.789684     1.476157    -2.109619
 H     7.063046     2.194766     2.119925
 H     8.154137     1.634261    -0.040342
 C    -4.304344     2.322561     0.084000
 C    -4.930964     1.751030    -1.027626
 C    -5.080653     2.683426     1.188223
 C    -6.303966     1.529716    -1.025770
 H    -4.352107     1.498303    -1.914439
 C    -6.450780     2.452047     1.195181
 H    -4.588792     3.145610     2.040527
 C    -7.066175     1.873394     0.087651
 H    -6.780799     1.092921    -1.900586
 H    -7.042025     2.727264     2.066062
 H    -8.139656     1.696760     0.089276
 S     3.399622     5.398728     1.551755
 O     2.084660     6.032065     1.644675
 O     4.062715     5.124074     2.826638
   38
1-SO2-Adduct4	scf done: -2004.867376
Pt     0.040429     1.939154    -0.665491
 H     2.549430     1.289600    -1.279524
 H    -2.474591     1.300017    -1.252514
 N     2.076264     1.908733    -0.630051
 N    -1.992377     1.932632    -0.622873
Cl     0.025381     0.025770    -2.007435
 C     2.856717     2.474297     0.283172
 O     2.425276     3.185229     1.231779
 C    -2.768891     2.571498     0.242350
 O    -2.333331     3.321485     1.159491
 H     0.923022     3.557584     1.006939
 H    -0.828151     3.596767     0.981466
 O     0.059973     3.672998     0.483889
 C     4.337400     2.254474     0.194416
 C     4.983794     1.946886    -1.006608
 C     5.098042     2.387991     1.358921
 C     6.361555     1.760099    -1.036695
 H     4.416497     1.878113    -1.933585
 C     6.473024     2.189192     1.331645
 H     4.589511     2.648664     2.283830
 C     7.108481     1.873209     0.133052
 H     6.853458     1.529987    -1.979335
 H     7.052372     2.282611     2.247853
 H     8.185703     1.722960     0.108820
 C    -4.251928     2.382270     0.141985
 C    -4.890218     2.088980    -1.066470
 C    -5.021309     2.529510     1.298825
 C    -6.271212     1.931320    -1.112113
 H    -4.311168     2.010211    -1.985297
 C    -6.399614     2.358324     1.256028
 H    -4.517849     2.778511     2.229983
 C    -7.028266     2.058369     0.049640
 H    -6.757909     1.713488    -2.060402
 H    -6.987132     2.461912     2.165968
 H    -8.108048     1.930177     0.013511
 S    -0.266948     5.727687    -1.042562
 O    -1.031140     5.031507    -2.072059
 O    -1.037434     6.476032    -0.054538
   38
Int2-DFT	scf done: -2004.871030
Pt    -0.016655     1.890381    -1.072664    
 H     2.316721     0.841551    -0.704850  
 H    -2.441444     1.216576    -1.944605    
 N     1.990728     1.791050    -0.852603    
 N    -2.065087     1.821203    -1.218980    
Cl     0.080209    -0.195814    -2.153415    
 C     2.970360     2.688320    -0.859874    
 O     2.836078     3.924649    -1.018005    
 C    -2.948631     2.271167    -0.385387  
 O    -2.602368     3.008516     0.647311    
 H     1.530788     4.536479    -1.564469  
 H    -1.628479     3.238690     0.582757    
 O    -0.163424     3.686242    -0.044669    
 C     4.367167     2.171162    -0.653996  
 C     4.777119     0.915029    -1.110026  
 C     5.295695     3.001024    -0.020762    
 C     6.089530     0.492759    -0.922995  
 H     4.077072     0.271213    -1.641555  
 C     6.601844     2.572139     0.182198  
 H     4.974231     3.985954     0.309662    
 C     7.002418     1.316711    -0.270358  
 H     6.400474    -0.481290    -1.294740    
 H     7.312252     3.220683     0.690648    
 H     8.027366     0.984044    -0.120001  
 C    -4.393646     1.993586    -0.488438    
 C    -4.979252     1.639529    -1.708366    
 C    -5.190607     2.092357     0.656821    
 C    -6.340880     1.376318    -1.776324    
 H    -4.381733     1.594163    -2.616875    
 C    -6.549975     1.816530     0.585540  
 H    -4.735549     2.375545     1.602029    
 C    -7.127328     1.459161    -0.629703    
 H    -6.790908     1.112210    -2.730172    
 H    -7.160636     1.883740     1.482693    
 H    -8.192961     1.249054    -0.685477   
 S    -0.535377     4.973284    -0.960494    
 O    -0.335612     6.120184    -0.047817  
 O     0.696909     4.930986    -2.003939  
   38
TS1-DFT	scf done: -2004.841578
Pt     1.746993    -1.369738    -4.258652
 S     2.779203     0.717494    -5.480670
Cl     1.482631    -3.290995    -2.936605
 N     0.642950    -0.409369    -2.863823
 H     0.365037    -1.030606    -2.111014
 N     2.814978    -2.523503    -5.581138
 H     3.435895    -3.202181    -5.149043
 O     0.432862     1.802036    -3.467766
 H     1.615259     2.153557    -4.484439
 O     2.040341    -1.814241    -7.609639
 H     1.753276    -0.996957    -7.076539
 O     1.462130     0.219128    -6.159226
 O     3.854731     0.832754    -6.487805
 O     2.387429     2.252002    -5.119724
 C     0.169107     0.828670    -2.730326
 C    -0.761841     1.072237    -1.572569
 C    -1.584709     0.077333    -1.036183
 H    -1.585142    -0.923928    -1.464609
 C    -2.435226     0.364688     0.026565
 H    -3.079182    -0.415124     0.427570
 C    -2.468143     1.646258     0.569219
 H    -3.131012     1.868394     1.402843
 C    -1.657092     2.645046     0.034815
 H    -1.682199     3.649333     0.452454
 C    -0.818261     2.360728    -1.035793
 H    -0.191642     3.133558    -1.474440
 C     2.740276    -2.634730    -6.872670
 C     3.438148    -3.698662    -7.622516
 C     3.737828    -4.927830    -7.026508
 H     3.430965    -5.131640    -6.001760
 C     4.395247    -5.911244    -7.754522
 H     4.615815    -6.869352    -7.290351
 C     4.757903    -5.675033    -9.078481
 H     5.272209    -6.447003    -9.646431
 C     4.454530    -4.455351    -9.677882
 H     4.734422    -4.269634   -10.712063
 C     3.789983    -3.471790    -8.956754
 H     3.548074    -2.517188    -9.416188
   38
2A-DFT	scf done: -2004.890668
Pt     2.335351    -0.774049    -4.250673
 S     0.495348    -1.390149    -5.409345
Cl     4.359648    -0.114220    -3.038714
 N     1.039739    -0.080854    -2.803893
 H     0.099673    -0.452194    -2.953675
 N     3.605348    -1.401153    -5.704423
 H     4.364310    -0.749064    -5.870499
 O     2.224649     1.423686    -1.549758
 H     2.989838     1.000576    -2.014285
 O     2.900345    -3.495997    -6.309026
 H     1.485337    -3.244668    -5.788533
 O     0.550709    -2.996195    -5.455554
 O     0.528458    -0.892986    -6.795312
 O    -0.755468    -1.111903    -4.666312
 C     1.099139     0.834243    -1.892761
 C    -0.086686     1.308993    -1.153793
 C    -1.374447     1.115970    -1.666902
 H    -1.519569     0.635698    -2.633956
 C    -2.479379     1.562972    -0.955352
 H    -3.476639     1.414691    -1.361942
 C    -2.309220     2.208038     0.267539
 H    -3.176818     2.557192     0.822776
 C    -1.029486     2.412233     0.776121
 H    -0.893957     2.918552     1.728820
 C     0.080223     1.969664     0.067440
 H     1.080764     2.124654     0.461629
 C     3.738039    -2.560376    -6.336031
 C     4.983040    -2.771494    -7.146477
 C     6.199292    -2.163656    -6.823469
 H     6.274468    -1.516508    -5.950152
 C     7.333185    -2.407795    -7.591229
 H     8.276925    -1.936869    -7.324951
 C     7.262689    -3.260059    -8.689834
 H     8.149451    -3.448533    -9.291348
 C     6.056083    -3.877726    -9.011345
 H     5.996463    -4.548649    -9.865745
 C     4.926140    -3.642344    -8.237559
 H     3.980750    -4.128000    -8.467003
   38
2B-DFT	scf done: -2004.891235
Pt     2.075133    -1.068226    -4.362429
 S     2.748559     0.744120    -5.527260
Cl     1.488742    -3.053942    -3.122141
 N     1.089379    -0.064872    -2.838576
 H     1.084833    -0.648194    -2.004668
 N     2.949556    -2.304723    -5.705299
 H     3.485327    -3.051087    -5.276015
 O     0.144396     1.867782    -3.639673
 H     0.973924     1.919245    -4.214983
 O     2.153332    -1.615071    -7.740179
 H     1.900331    -0.171346    -7.245713
 O     1.827131     0.763988    -6.845563
 O     4.156029     0.688998    -5.945982
 O     2.382280     2.036217    -4.864411
 C     0.257802     0.927007    -2.738096
 C    -0.646873     1.075328    -1.579287
 C    -1.125312    -0.047516    -0.895997
 H    -0.859881    -1.048555    -1.232810
 C    -1.974919     0.110815     0.191215
 H    -2.354223    -0.765086     0.711640
 C    -2.347694     1.387296     0.604754
 H    -3.012029     1.509095     1.457421
 C    -1.878978     2.507902    -0.077066
 H    -2.170591     3.504762     0.244780
 C    -1.038493     2.354384    -1.172244
 H    -0.670545     3.221909    -1.713995
 C     2.760578    -2.439212    -7.011982
 C     3.325678    -3.663711    -7.667444
 C     3.434074    -4.887211    -7.000383
 H     3.089715    -4.980527    -5.970901
 C     3.947674    -6.000618    -7.657300
 H     4.017050    -6.951757    -7.133899
 C     4.362477    -5.900276    -8.982539
 H     4.767674    -6.771135    -9.493462
 C     4.248854    -4.685446    -9.655415
 H     4.568350    -4.604724   -10.692167
 C     3.722695    -3.576898    -9.003725
 H     3.614056    -2.624863    -9.517771
   38
2C-DFT	scf done: -2004.884767
Pt     2.752937    -0.736940    -4.396602
 S     4.172374     0.798162    -5.266375
Cl     1.202040    -2.407981    -3.453174
 N     1.914540     0.657499    -3.172040
 H     1.832952     0.425002    -2.186371
 N     3.365916    -2.139352    -5.739879
 H     3.635517    -3.048655    -5.375547
 O     1.325810     2.252136    -4.719039
 H     1.996212     1.837808    -5.344399
 O     3.013091    -0.999142    -7.704084
 H     3.026857    -0.148052    -7.167719
 O     3.242089     1.342352    -6.385034
 O     5.367556     0.172709    -5.878665
 O     4.479201     1.884582    -4.307159
 C     1.305664     1.749920    -3.507395
 C     0.504474     2.532176    -2.543081
 C    -0.142148     1.901583    -1.474921
 H    -0.085737     0.819806    -1.362271
 C    -0.891271     2.649398    -0.575741
 H    -1.400326     2.151691     0.246084
 C    -0.998303     4.028804    -0.734766
 H    -1.584509     4.612908    -0.028845
 C    -0.361745     4.659484    -1.801057
 H    -0.446488     5.736120    -1.927856
 C     0.380790     3.914848    -2.708599
 H     0.877598     4.399733    -3.544809
 C     3.297843    -2.089014    -7.031935
 C     3.520341    -3.279502    -7.878681
 C     3.210412    -4.559246    -7.406533
 H     2.771631    -4.686810    -6.417943
 C     3.425320    -5.669371    -8.212999
 H     3.172089    -6.660330    -7.844054
 C     3.951754    -5.510564    -9.492508
 H     4.120421    -6.381303   -10.122194
 C     4.255083    -4.237378    -9.968887
 H     4.663876    -4.111697   -10.968635
 C     4.033055    -3.123054    -9.169853
 H     4.264378    -2.126290    -9.536093
   38
2D-DFT	scf done: -2004.881194
Pt     2.359301    -1.161779    -3.963127
 S     2.235706     0.864201    -4.996253
Cl     2.538752    -3.433037    -2.774223
 N     1.091627    -0.373560    -2.565688
 H     0.562245     0.394467    -2.988574
 N     3.559344    -1.726353    -5.520544
 H     3.351048    -1.143954    -6.336635
 O     1.556596    -1.465068    -0.612855
 H     2.005594    -2.086460    -1.234138
 O     4.965343    -3.315630    -4.673576
 H     4.290872    -3.323156    -3.953346
 O     2.368378     0.602876    -6.465836
 O     3.358039     1.681807    -4.461871
 O     0.895605     1.441034    -4.653697
 C     0.946796    -0.511777    -1.291555
 C     0.096326     0.374767    -0.476717
 C    -0.272801     1.638768    -0.950881
 H     0.086872     1.994239    -1.915756
 C    -1.081033     2.460651    -0.177967
 H    -1.359771     3.443971    -0.548438
 C    -1.523229     2.031425     1.071603
 H    -2.156770     2.677510     1.675081
 C    -1.150834     0.778267     1.550632
 H    -1.493253     0.441568     2.526239
 C    -0.339233    -0.047531     0.783134
 H    -0.046061    -1.027838     1.149058
 C     4.585690    -2.498740    -5.637793
 C     5.428129    -2.542244    -6.846656
 C     5.419123    -1.480340    -7.758242
 H     4.810496    -0.596341    -7.571656
 C     6.210901    -1.536862    -8.896696
 H     6.204980    -0.706492    -9.598330
 C     7.018074    -2.647728    -9.132554
 H     7.637486    -2.689416   -10.025622
 C     7.036372    -3.702321    -8.223672
 H     7.666657    -4.569749    -8.404601
 C     6.248770    -3.650018    -7.080611
 H     6.255968    -4.470011    -6.367605


