   19
[Ag](NCMe)   scf done: -1292.685989
Ag    -0.391782     6.707755    15.284807
 F    -2.502980     5.547719    17.187320
 F    -0.464042     5.261954    17.780684
 F    -1.291983     4.109807    16.157895
 F    -3.168422     7.093436    14.911935
 F    -2.380337     8.294491    16.519606
 F    -2.121897     8.904382    14.491019
 F     1.795914     7.624813    13.575873
 F    -0.097298     8.102686    12.691467
 F     0.669892     9.293307    14.312554
 N     1.352202     5.436815    15.370027
 C    -1.282086     5.336598    16.713200
 C    -2.155472     7.856647    15.290972
 C     0.547095     8.042686    13.859857
 C     2.257252     4.745862    15.443952
 C     3.399302     3.875364    15.537116
 H     3.794079     3.890911    16.553247
 H     4.176431     4.204746    14.847203
 H     3.108397     2.854853    15.287138
   24
[Ag](py)   scf done: -1540.903139
Ag    -0.999771    -0.469281     2.124116
 C     0.611667    -1.274146     3.222951
 F     0.264606    -2.290240     3.998905
 F     1.586479    -1.711774     2.435318
 F     1.126867    -0.323451     4.010511
 C    -3.362454     1.196609     1.008860
 C    -2.946103    -0.716616    -0.202821
 C    -4.381561     1.560097     0.150740
 H    -3.076779     1.806070     1.858671
 C    -3.951567    -0.423187    -1.099669
 C    -4.682306     0.737281    -0.918056
 H    -4.925535     2.478887     0.325769
 H    -4.149273    -1.093665    -1.925410
 H    -5.477057     0.998638    -1.606545
 H    -2.337054    -1.608154    -0.311655
 C     0.365297     0.212852     0.590968
 C    -2.328247    -1.029725     3.722641
 F    -0.202748     1.181873    -0.152978
 F     0.719904    -0.753232    -0.268953
 F     1.504131     0.750158     1.062605
 F    -1.870995    -0.686176     4.930602
 F    -2.600590    -2.338038     3.757714
 F    -3.509973    -0.401075     3.583756
 N    -2.666042     0.076280     0.830604
 C     0.025704     2.409369     3.453929
 N    -1.017775     2.127437     3.066197
 C     1.341734     2.753645     3.933071
 H     1.460227     3.836328     3.972608
 H     1.494854     2.339947     4.929687
 H     2.092890     2.335406     3.262404
   32
[Ag](p-NC5H4-NMe2)   scf done: -1542.107591
Ag    -0.752672    -0.920485     2.067156
 C     0.737819    -1.656979     3.357498
 F     0.677856    -2.984549     3.390004
 F     1.973075    -1.328973     3.024375
 F     0.525655    -1.196441     4.586331
 C    -2.959938     0.955827     1.042375
 C    -2.798613    -0.938962    -0.225690
 C    -3.982883     1.444869     0.274758
 H    -2.591251     1.524593     1.889426
 C    -3.814252    -0.535709    -1.050726
 C    -4.451781     0.697303    -0.821052
 H    -4.410640     2.403191     0.530372
 H    -4.105620    -1.179759    -1.867426
 H    -2.300712    -1.887944    -0.394353
 C     0.563485     0.108168     0.697419
 C    -2.273872    -1.859707     3.277149
 F     0.186881     1.404590     0.656428
 F     0.339222    -0.383753    -0.540273
 F     1.878283     0.108954     0.863633
 F    -1.955873    -2.557349     4.360534
 F    -2.981148    -2.690495     2.484402
 F    -3.133755    -0.902325     3.680704
 N    -2.365461    -0.216206     0.809366
 N    -5.458974     1.139151    -1.609414
 C    -5.910229     0.340182    -2.725795
 H    -6.288489    -0.634025    -2.400276
 H    -6.718292     0.859503    -3.234702
 H    -5.109289     0.170005    -3.452180
 C    -6.087022     2.412155    -1.338671
 H    -5.371271     3.238088    -1.399091
 H    -6.866666     2.590866    -2.074786
 H    -6.549431     2.433063    -0.346779
   47
[Ag](PPh3)   scf done: -2195.991753
Ag    -0.423850    -0.207542     0.287132
 C     1.693474    -0.551197     0.467936
 F     1.993640    -1.687973     1.082170
 F     2.259220    -0.610808    -0.733656
 F     2.256146     0.439278     1.147935
 P    -2.890667     0.033065    -0.050066
 C    -3.531335     0.990637     1.347223
 C    -4.546887     0.540034     2.179706
 C    -2.912333     2.210113     1.615957
 C    -4.951657     1.309817     3.256883
 H    -5.009692    -0.423483     2.002039
 C    -3.324970     2.978263     2.688493
 C    -4.346470     2.528440     3.509712
 H    -5.740146     0.949098     3.906463
 H    -2.840088     3.925954     2.888974
 H    -4.663854     3.126108     4.355861
 C    -3.807007    -1.530237    -0.158541
 C    -5.178841    -1.510504    -0.408665
 C    -3.146149    -2.748047    -0.074130
 C    -5.877889    -2.694305    -0.540466
 H    -5.697739    -0.562496    -0.510327
 C    -3.848547    -3.933612    -0.216550
 C    -5.212276    -3.907433    -0.443246
 H    -6.944577    -2.671604    -0.728914
 H    -3.323608    -4.878570    -0.148706
 H    -5.761260    -4.835233    -0.552697
 C    -3.459260     0.886614    -1.548437
 C    -4.185661     2.068799    -1.523512
 C    -3.136014     0.302837    -2.769692
 C    -4.578329     2.663827    -2.711547
 H    -4.445659     2.530941    -0.578299
 C    -3.528588     0.899051    -3.951156
 C    -4.248519     2.083815    -3.923168
 H    -5.144239     3.587471    -2.686457
 H    -3.266510     0.442273    -4.897754
 H    -4.551681     2.555150    -4.850449
 H    -2.563436    -0.619703    -2.795041
 H    -2.105899     2.561667     0.978812
 H    -2.078077    -2.777782     0.106226
 C     0.048708     1.204105    -1.296038
 C    -0.721411    -1.412765     2.075530
 F    -0.856532     2.206542    -1.342434
 F     0.041101     0.629446    -2.506550
 F     1.228833     1.808198    -1.162307
 F     0.088851    -0.998065     3.053757
 F    -0.495948    -2.723753     1.907888
 F    -1.969960    -1.319446     2.581037
   47
[Ag](AsPh3)   scf done: -4090.453285
Ag    -0.255677    -0.221061     0.300971
 C     1.857755    -0.577741     0.464418
 F     2.157533    -1.670780     1.151436
 F     2.386720    -0.731902    -0.745448
 F     2.449358     0.450217     1.056540
As    -2.800528     0.022409    -0.059392
 C    -3.537271     1.036580     1.410666
 C    -4.573031     0.561668     2.200187
 C    -2.946396     2.262170     1.696752
 C    -5.028034     1.321872     3.264930
 H    -5.016398    -0.406908     1.997491
 C    -3.408578     3.019586     2.758656
 C    -4.450155     2.549145     3.541870
 H    -5.834303     0.948384     3.885029
 H    -2.948404     3.975309     2.979042
 H    -4.807170     3.138945     4.377733
 C    -3.822776    -1.618284    -0.166487
 C    -5.173465    -1.560154    -0.495336
 C    -3.209177    -2.846726     0.027989
 C    -5.906987    -2.727163    -0.606791
 H    -5.652256    -0.601900    -0.672196
 C    -3.946704    -4.013635    -0.093137
 C    -5.293005    -3.953856    -0.405748
 H    -6.959893    -2.679209    -0.858224
 H    -3.463366    -4.971191     0.058491
 H    -5.868132    -4.867509    -0.498920
 C    -3.454578     0.935875    -1.637414
 C    -4.201839     2.100900    -1.567066
 C    -3.149590     0.375949    -2.871156
 C    -4.642144     2.705277    -2.734410
 H    -4.443899     2.541317    -0.606166
 C    -3.590786     0.982306    -4.032199
 C    -4.336151     2.149143    -3.963796
 H    -5.226345     3.616309    -2.679416
 H    -3.347457     0.546391    -4.993707
 H    -4.677799     2.626773    -4.874380
 H    -2.557931    -0.532978    -2.928268
 H    -2.124617     2.629130     1.087892
 H    -2.156098    -2.903810     0.277748
 C     0.165796     1.184467    -1.294958
 C    -0.584767    -1.427454     2.074887
 F    -0.752714     2.177889    -1.292948
 F     0.097288     0.606547    -2.502463
 F     1.344657     1.798901    -1.225861
 F     0.201203    -1.030719     3.078544
 F    -0.368623    -2.738703     1.899399
 F    -1.848857    -1.324795     2.546144
   33
[Ag](bipy)   scf done: -1655.188026
Ag     1.052920     4.440733     4.389878
 F     2.614684     2.752133     6.191261
 F     3.889123     3.794177     4.817852
 F     2.802607     2.047872     4.176142
 F     2.733965     6.065445     2.842575
 F     2.867408     4.037800     2.150505
 F     1.187717     5.225998     1.604197
 F    -1.347204     6.015856     4.933628
 F    -1.391486     5.214551     2.942858
 F    -0.191730     6.947462     3.392004
 N    -0.175086     3.677848     6.092641
 N     1.536046     5.747947     6.491392
 C     2.709797     3.162635     4.907656
 C     2.026863     4.959900     2.594899
 C    -0.573144     5.754688     3.857989
 C    -1.096829     2.763195     5.816338
 H    -1.111973     2.386231     4.798485
 C    -1.999074     2.309375     6.756645
 H    -2.734202     1.562533     6.488870
 C    -1.935601     2.846324     8.028141
 H    -2.632232     2.531413     8.795621
 C    -0.979414     3.800110     8.310871
 C     1.319661     5.616609     8.846636
 C     2.309160     6.570067     8.994273
 H     2.616627     6.883247     9.984795
 C     2.906863     7.107430     7.870495
 H     3.687942     7.852487     7.946727
 C     2.486539     6.655702     6.631299
 H     2.929943     7.031148     5.712713
 C     0.949270     5.227639     7.565263
 C    -0.094498     4.203513     7.318731
 H     0.863940     5.171568     9.721101
 H    -0.933872     4.245172     9.295374
   35
[Ag](phen)   scf done: -1731.388574
Ag     1.116538     4.246140     3.916034
 F     2.176033     1.908548     5.324833
 F     3.795090     3.150985     4.667122
 F     2.744511     1.907962     3.257850
 F     3.261312     6.038415     3.505698
 F     3.382277     4.406937     2.113161
 F     2.006784     5.992385     1.765351
 F    -1.436433     5.645372     4.216795
 F    -0.763993     5.667985     2.181863
 F     0.085693     7.031406     3.616233
 N    -0.128892     3.561629     5.669219
 N    -0.540893     2.461523     3.198364
 C     2.581992     2.712614     4.318197
 C     2.546342     5.242219     2.715614
 C    -0.333706     5.773307     3.447293
 C     0.078500     4.100803     6.850515
 H     0.849735     4.862603     6.910776
 C    -0.643554     3.728503     7.984223
 H    -0.434607     4.202775     8.933777
 C    -1.604983     2.763106     7.859776
 H    -2.189444     2.443051     8.715784
 C    -1.844048     2.174419     6.611411
 C    -2.830676     1.163925     6.416208
 H    -3.413714     0.844849     7.273023
 C    -3.034530     0.618223     5.198929
 H    -3.785874    -0.150477     5.054491
 C    -2.268985     1.037286     4.072364
 C    -2.445493     0.500186     2.789524
 H    -3.194951    -0.269206     2.636548
 C    -1.674664     0.950528     1.752536
 H    -1.788159     0.554684     0.751718
 C    -0.723945     1.944121     2.007674
 H    -0.093143     2.326670     1.209311
 C    -1.286136     2.031651     4.223383
 C    -1.068336     2.612989     5.523233
   25
[Ag](NCMe)···NCMe   scf done: -1425.412013
Ag    -1.771536    -0.331165    -0.249791
 C    -1.685781    -2.390246     0.167971
 F    -1.556984    -2.618173     1.474508
 F    -2.787364    -2.989559    -0.247894
 F    -0.645418    -2.977450    -0.411526
 C    -1.635969     2.895444    -0.826607
 C    -0.936800    -0.745439    -2.210890
 C    -2.797011    -0.025449     1.645532
 F     0.370483    -1.006489    -2.180867
 F    -1.092171     0.320537    -3.017772
 F    -1.530872    -1.768048    -2.836362
 F    -1.993556    -0.101412     2.716731
 F    -3.796377    -0.891292     1.851604
 F    -3.354530     1.198556     1.687620
 N    -1.791136     1.778285    -0.658095
 C    -1.436234     4.304604    -1.040410
 H    -1.310606     4.811236    -0.083428
 H    -0.544577     4.463285    -1.647258
 H    -2.297056     4.729535    -1.556792
 C     1.040233    -0.586148     1.550498
 N     0.723539     0.256240     0.836761
 C     1.412683    -1.650857     2.451056
 H     1.488399    -2.591611     1.904923
 H     2.372032    -1.435236     2.921189
 H     0.651231    -1.758811     3.224183
   30
[Ag](py)···NCMe   scf done: -1540.903139
Ag    -0.999771    -0.469281     2.124116
 C     0.611667    -1.274146     3.222951
 F     0.264606    -2.290240     3.998905
 F     1.586479    -1.711774     2.435318
 F     1.126867    -0.323451     4.010511
 C    -3.362454     1.196609     1.008860
 C    -2.946103    -0.716616    -0.202821
 C    -4.381561     1.560097     0.150740
 H    -3.076779     1.806070     1.858671
 C    -3.951567    -0.423187    -1.099669
 C    -4.682306     0.737281    -0.918056
 H    -4.925535     2.478887     0.325769
 H    -4.149273    -1.093665    -1.925410
 H    -5.477057     0.998638    -1.606545
 H    -2.337054    -1.608154    -0.311655
 C     0.365297     0.212852     0.590968
 C    -2.328247    -1.029725     3.722641
 F    -0.202748     1.181873    -0.152978
 F     0.719904    -0.753232    -0.268953
 F     1.504131     0.750158     1.062605
 F    -1.870995    -0.686176     4.930602
 F    -2.600590    -2.338038     3.757714
 F    -3.509973    -0.401075     3.583756
 N    -2.666042     0.076280     0.830604
 C     0.025704     2.409369     3.453929
 N    -1.017775     2.127437     3.066197
 C     1.341734     2.753645     3.933071
 H     1.460227     3.836328     3.972608
 H     1.494854     2.339947     4.929687
 H     2.092890     2.335406     3.262404
   34
[Ag](py)···OCMe2   scf done: -1601.295048
Ag     6.668168     1.477731     3.368566
 F     9.580268     1.792936     2.907830
 F     8.828882     0.055760     1.893239
 F     9.122896     0.010948     4.012932
 F     5.580421     2.896562     1.094031
 F     6.210423     0.907782     0.602129
 F     7.656622     2.480935     0.875516
 F     4.117632     1.506805     4.822188
 F     4.367359     3.303895     3.677319
 F     3.774419     1.473973     2.710318
 C     8.693363     0.793652     3.000902
 C     6.507088     1.972532     1.330111
 C     4.580508     1.982563     3.648414
 O     7.540858     4.008459     3.990547
 C     7.905724     4.762256     3.114373
 C     9.352224     4.936488     2.775745
 H     9.981503     4.386508     3.471349
 H     9.620314     5.995390     2.766909
 H     9.524103     4.557108     1.764459
 C     6.932843     5.557086     2.301728
 H     5.910058     5.340560     2.602201
 H     7.060673     5.319347     1.242309
 H     7.140676     6.624333     2.412598
 C     6.842312     2.075062     6.346630
 C     6.844022    -0.193329     5.948359
 C     6.859428     1.872620     7.712042
 H     6.832448     3.067774     5.910464
 C     6.853566    -0.474744     7.298414
 H     6.844632    -0.985354     5.208241
 C     6.863723     0.577852     8.195515
 H     6.864376     2.724473     8.379069
 H     6.854277    -1.503552     7.633101
 H     6.872551     0.389375     9.262446
 N     6.840156     1.056115     5.488167
   53
[Ag](PPh3)···NCMe   scf done: -2328.721281
Ag    -1.199481    -0.187679     0.358920
 C    -3.335015    -0.351428     0.567447
 F    -3.961929     0.823124     0.414758
 F    -3.854702    -1.151551    -0.369426
 F    -3.679954    -0.830080     1.752868
 P     1.245691     0.059942    -0.006833
 C     2.040290     0.050172     1.623257
 C     2.827046     1.096462     2.087764
 C     1.773326    -1.030390     2.463121
 C     3.355537     1.053352     3.366852
 H     3.015546     1.956925     1.456872
 C     2.309732    -1.072119     3.736126
 C     3.102752    -0.030019     4.189525
 H     3.963446     1.876702     3.722490
 H     2.099087    -1.917896     4.379497
 H     3.516215    -0.059300     5.190655
 C     1.838917     1.530226    -0.898601
 C     3.201845     1.636841    -1.175671
 C     0.970498     2.505299    -1.366836
 C     3.686968     2.718232    -1.884555
 H     3.886251     0.864293    -0.839779
 C     1.459862     3.584391    -2.084728
 C     2.814251     3.695255    -2.339280
 H     4.748005     2.794856    -2.090208
 H     0.773444     4.339851    -2.447530
 H     3.193762     4.540921    -2.900797
 C     2.014549    -1.266172    -0.977144
 C     3.064025    -2.045787    -0.512274
 C     1.506312    -1.475080    -2.256428
 C     3.598352    -3.035299    -1.320906
 H     3.463091    -1.887976     0.483437
 C     2.043857    -2.463939    -3.057131
 C     3.088061    -3.247027    -2.589567
 H     4.415847    -3.644709    -0.954100
 H     1.640126    -2.630264    -4.048598
 H     3.503486    -4.026750    -3.217033
 H     0.676727    -0.871643    -2.615654
 H     1.144470    -1.844404     2.116952
 H    -0.092305     2.420733    -1.186277
 C    -1.193717    -2.332387    -0.031123
 C    -1.341926     1.838972     1.139409
 F    -0.005513    -2.915528     0.244547
 F    -1.469780    -2.630232    -1.302068
 F    -2.078386    -2.989574     0.727861
 F    -2.087463     1.867031     2.248608
 F    -1.884393     2.731343     0.288959
 F    -0.149307     2.359742     1.497813
 C    -2.591389     0.923989    -2.502407
 N    -1.521924     0.518789    -2.393519
 C    -3.935871     1.434367    -2.621028
 H    -4.083818     2.244477    -1.906265
 H    -4.114780     1.805022    -3.630178
 H    -4.651616     0.643463    -2.395811
   57
[Ag](PPh3)···OCMe2   scf done: -2389.115542
Ag    -1.048251    -0.478447    -0.426878
 P     1.335397     0.074083     0.017773
 F    -1.769727     2.146050    -1.669346
 F    -1.865797     0.517402    -3.065435
 F     0.029906     1.338383    -2.519283
 F    -3.735667    -1.434380     0.276964
 F    -3.327486    -1.630875    -1.820132
 F    -3.803702     0.289072    -0.970809
 F     0.175651    -2.770049     1.061456
 F    -1.542499    -1.987987     2.083375
 F    -1.776541    -3.223972     0.337961
 C    -1.177214     0.992475    -2.023919
 C    -3.136797    -0.855558    -0.763473
 C    -1.048039    -2.231392     0.863733
 C     2.334700    -0.671142    -1.299759
 C     2.264255    -2.053724    -1.469006
 H     1.666513    -2.653923    -0.791137
 C     2.954924    -2.664739    -2.498456
 H     2.896959    -3.739884    -2.618462
 C     3.707673    -1.903504    -3.378445
 H     4.243261    -2.383085    -4.189142
 C     3.764128    -0.529345    -3.227681
 H     4.339433     0.071424    -3.921931
 C     3.079853     0.087580    -2.194182
 H     3.115447     1.165830    -2.094103
 C     1.969342    -0.565509     1.593960
 C     3.124218    -1.326095     1.707414
 H     3.691010    -1.594961     0.822957
 C     3.550020    -1.751173     2.955087
 H     4.450163    -2.348472     3.040104
 C     2.827669    -1.417638     4.087337
 H     3.160084    -1.757240     5.061188
 C     1.676925    -0.652755     3.975542
 H     1.106969    -0.394524     4.859961
 C     1.246354    -0.226887     2.734003
 H     0.334809     0.357604     2.641806
 C     1.817836     1.823949     0.144948
 C     3.153428     2.135897     0.398368
 H     3.890848     1.343781     0.480585
 C     3.544070     3.451275     0.554249
 H     4.584854     3.684835     0.744567
 C     2.602762     4.467026     0.476500
 H     2.908885     5.498902     0.603083
 C     1.274216     4.161033     0.247496
 H     0.533819     4.950768     0.196832
 C     0.878975     2.843159     0.082460
 H    -0.165445     2.610078    -0.072501
 O    -1.671539     1.405924     1.494002
 C    -2.811598     1.779564     1.664941
 C    -3.290859     3.095478     1.136144
 H    -2.451808     3.719743     0.834074
 H    -3.911633     3.615888     1.867754
 H    -3.918019     2.904192     0.260325
 C    -3.818516     0.948605     2.393443
 H    -3.399577    -0.016224     2.670996
 H    -4.699715     0.799685     1.764043
 H    -4.154917     1.481688     3.286673
   53
[Ag](AsPh3)···NCMe   scf done: -4223.183538
Ag    -1.382238    -0.275941    -0.342693
 C    -3.512952    -0.484475    -0.486149
 F    -3.997903    -1.292260     0.456514
 F    -4.132277     0.690049    -0.309099
 F    -3.886862    -0.959755    -1.664150
As     1.144138     0.001957     0.006233
 C     2.093889    -0.912958    -1.409985
 C     3.002074    -1.929749    -1.154868
 C     1.780542    -0.574344    -2.722278
 C     3.609610    -2.591178    -2.209637
 H     3.229481    -2.216076    -0.134113
 C     2.394744    -1.234520    -3.771703
 C     3.310400    -2.242398    -3.515319
 H     4.316149    -3.387548    -2.007554
 H     2.150938    -0.965520    -4.792561
 H     3.786277    -2.763388    -4.337680
 C     1.957547    -0.612945     1.654337
 C     3.304543    -0.339105     1.870700
 C     1.218244    -1.269815     2.625169
 C     3.911682    -0.743509     3.045382
 H     3.881917     0.195870     1.122901
 C     1.830776    -1.667221     3.803039
 C     3.173725    -1.409334     4.011771
 H     4.961977    -0.532748     3.208837
 H     1.249453    -2.178722     4.560795
 H     3.648764    -1.722151     4.934293
 C     1.829229     1.813442    -0.042046
 C     2.811762     2.221858    -0.929811
 C     1.300547     2.709527     0.878229
 C     3.264242     3.531542    -0.897428
 H     3.226364     1.524071    -1.649281
 C     1.755866     4.014906     0.905232
 C     2.736330     4.426914     0.016360
 H     4.032301     3.851560    -1.591809
 H     1.341012     4.715100     1.620582
 H     3.089127     5.451324     0.036088
 H     0.527615     2.386375     1.569811
 H     1.056269     0.208341    -2.926851
 H     0.164324    -1.462851     2.476687
 C    -1.566977     1.683589    -1.270192
 C    -1.290904    -2.358542     0.258992
 F    -0.443079     2.042754    -1.929792
 F    -1.807669     2.669481    -0.388791
 F    -2.539766     1.746388    -2.184581
 F    -2.044301    -3.133906    -0.524964
 F    -1.689864    -2.575205     1.518925
 F    -0.041317    -2.867525     0.172169
 C    -2.556872     1.276539     2.420360
 N    -1.525302     0.780713     2.321735
 C    -3.852504     1.902868     2.522544
 H    -4.636859     1.152115     2.422397
 H    -3.958127     2.405045     3.484060
 H    -3.967098     2.632109     1.719852
   57
[Ag](AsPh3)···OCMe2   scf done: -4283.577802
Ag    -1.259576    -0.438571    -0.476841
As     1.218834     0.032921    -0.009362
 F    -1.871305     2.337862    -1.388914
 F    -2.126508     0.892195    -2.954987
 F    -0.158840     1.521232    -2.402239
 F    -3.948583    -1.369935     0.236684
 F    -3.638823    -1.331491    -1.885489
 F    -3.982178     0.493959    -0.794960
 F     0.003171    -2.869977     0.644897
 F    -1.582364    -2.171238     1.916824
 F    -2.028394    -3.225252     0.097463
 C    -1.370772     1.197665    -1.898022
 C    -3.368820    -0.697093    -0.755909
 C    -1.224032    -2.301197     0.632910
 C     2.305439    -0.597055    -1.480897
 C     2.251740    -1.949549    -1.802821
 H     1.654586    -2.630655    -1.204882
 C     2.961963    -2.429524    -2.888836
 H     2.921111    -3.484203    -3.133805
 C     3.714373    -1.561929    -3.664192
 H     4.265771    -1.938248    -4.517740
 C     3.753644    -0.213315    -3.355007
 H     4.331567     0.468808    -3.967305
 C     3.048982     0.272393    -2.265818
 H     3.072395     1.331668    -2.035536
 C     1.943630    -0.835342     1.562658
 C     3.092966    -1.609158     1.533987
 H     3.621789    -1.773524     0.601181
 C     3.565231    -2.179201     2.705601
 H     4.462909    -2.786023     2.684015
 C     2.891485    -1.976364     3.897469
 H     3.260371    -2.427716     4.810972
 C     1.743910    -1.199625     3.923242
 H     1.213679    -1.043600     4.855231
 C     1.266695    -0.627772     2.757843
 H     0.360064    -0.028833     2.773424
 C     1.823652     1.848163     0.316286
 C     3.154859     2.047045     0.667884
 H     3.836108     1.204345     0.733099
 C     3.614937     3.321937     0.942542
 H     4.653592     3.472844     1.212102
 C     2.745806     4.400092     0.879629
 H     3.105836     5.398396     1.099371
 C     1.419106     4.200611     0.542583
 H     0.735876     5.040827     0.498524
 C     0.954244     2.925868     0.260366
 H    -0.087466     2.774617     0.012982
 O    -1.525663     1.298703     1.653179
 C    -2.651382     1.670774     1.906163
 C    -3.113168     3.051449     1.561420
 H    -2.266085     3.691481     1.320571
 H    -3.709160     3.485516     2.366225
 H    -3.759191     2.983091     0.681024
 C    -3.650209     0.774823     2.565307
 H    -3.271268    -0.243042     2.635612
 H    -4.593129     0.784479     2.013652
 H    -3.866752     1.158244     3.566493


