Mind 0.3 0.667
 2            0.000     0.000     0.000        1 0
 2           -0.303     0.000    22.518        1 Z
 2            0.000    18.650     0.000        1 Y
 2           -0.303    18.650    22.518           
 2           40.960     0.000     0.000        1 X
 2           40.657     0.000    22.518           
 2           40.960    18.650     0.000           
 2           40.657    18.650    22.518           
 7           16.982    14.095     3.587        1 N
 6           16.949    12.808     4.348          C
 6           15.686    12.779     5.142          C
 8           15.236    13.827     5.603        1 O
 7           15.110    11.591     5.269        1 N
 1           15.386    10.901     4.600          H
 6           13.879    11.466     6.066          C
 6           14.196    10.776     7.374          C
 8           15.008     9.839     7.449        1 O
 7           13.507    11.238     8.398        1 N
 1           12.982    12.040     8.111          H
 6           13.659    10.715     9.763          C
 6           14.335    11.756    10.682          C
16           15.883    12.419    10.017        1 S
 6           12.265    10.443    10.307          C
 8           11.382    11.308    10.165        1 O
 7           12.046     9.314    10.952        1 N
 1           12.619     8.495    10.991          H
 6           10.672     8.991    11.400          C
 6           10.149     7.731    10.685          C
16            9.837     8.019     8.917        1 S
 6           10.658     8.780    12.923          C
 8           11.639     8.303    13.497        1 O
 7            9.546     9.107    13.561        1 N
 6            9.471     9.050    15.010          C
 6            9.306     7.663    15.606          C
 8            9.484     7.517    16.813        1 O
 7            8.875     6.704    14.799        1 N
 1            8.677     6.925    13.865          H
 6            8.683     5.308    15.262          C
 6            8.773     4.415    14.050          C
 8            8.707     4.861    12.902        1 O
 7            8.875     3.113    14.344        1 N
 1            8.864     2.796    15.292          H
 6            8.920     2.118    13.273          C
 6            7.582     2.121    12.482          C
 8            7.682     2.037    11.242        1 O
 7            6.476     2.183    13.146        1 N
 1            6.427     2.024    14.132          H
 6            5.168     2.225    12.410          C
 6            5.125     3.421    11.458          C
 8            4.634     3.308    10.335        1 O
 7            5.617     4.581    11.931        1 N
 1            5.971     4.641    12.842          H
 6            5.609     5.757    11.047          C
 6            6.452     5.528     9.833          C
 8            6.061     5.927     8.722        1 O
 7            7.637     4.918     9.981        1 N
 1            7.980     4.899    10.921          H
 6            8.478     4.610     8.831          C
 6            7.775     3.638     7.879          C
 8            7.851     3.791     6.670        1 O
 7            7.183     2.571     8.435        1 N
 1            7.354     2.387     9.403          H
 6            6.508     1.603     7.563          C
 6            5.387     2.276     6.770          C
 8            5.222     2.011     5.569        1 O
 7            4.652     3.159     7.427        1 N
 1            4.645     3.211     8.425          H
 6            3.574     3.905     6.718          C
 6            4.145     4.833     5.695          C
 8            3.555     5.019     4.624        1 O
 7            5.283     5.458     5.994        1 N
 1            5.555     5.622     6.943          H
 6            5.948     6.361     5.037          C
 6            6.312     5.591     3.788          C
 8            6.130     6.089     2.650        1 O
 7            6.882     4.392     3.950        1 N
 1            7.211     4.188     4.872          H
 6            7.308     3.614     2.784          C
 6            6.100     3.204     1.924          C
 8            6.258     3.155     0.713        1 O
 7            4.979     2.903     2.545        1 N
 1            5.056     2.621     3.501          H
 6            3.782     2.598     1.728          C
 6            3.306     3.874     1.020          C
 8            2.941     3.819    -0.169        1 O
 7            3.284     4.988     1.727        1 N
 1            3.376     4.999     2.723          H
 6            2.883     6.277     1.097          C
 6            3.001     7.331     2.206          C
16            2.564     9.015     1.632        1 S
 6            3.709     6.570    -0.114          C
 8            3.199     7.155    -1.100        1 O
 7            4.995     6.238    -0.092        1 N
 1            5.376     6.188     0.831          H
 6            5.877     6.512    -1.201          C
 6            5.726     5.593    -2.380          C
 8            6.174     5.906    -3.475        1 O
 7            5.084     4.429    -2.216        1 N
 1            4.376     4.228    -1.539          H
 6            4.979     3.452    -3.320          C
 6            4.405     4.031    -4.600          C
 8            4.965     3.756    -5.685        1 O
 7            3.330     4.807    -4.552        1 N
 6            2.800     5.363    -5.818          C
 6            3.576     6.539    -6.334          C
 8            3.273     7.049    -7.422        1 O
 7            4.555     7.043    -5.569        1 N
 1            5.118     6.648    -4.842          H
 6            5.340     8.190    -5.992          C
 6            4.996     9.493    -5.270          C
 8            5.521    10.535    -5.696        1 O
 7            4.194     9.432    -4.249        1 N
 1            3.862     8.556    -3.961          H
 6            3.773    10.610    -3.522          C
 6            4.994    11.392    -3.057          C
 8            5.926    10.787    -2.502        1 O
 7            4.988    12.717    -3.169        1 N
 6            6.129    13.494    -2.674          C
 6            6.398    13.229    -1.216          C
 8            5.521    13.072    -0.373        1 O
 7            7.713    13.289    -0.882        1 N
 1            8.382    13.625    -1.545          H
 6            8.092    13.096     0.530          C
 6            7.403    14.060     1.448          C
 8            7.057    13.705     2.560        1 O
 7            7.201    15.325     1.023        1 N
 1            7.663    15.715     0.227          H
 6            6.598    16.313     1.927          C
 6            5.203    15.927     2.359          C
 8            4.797    16.156     3.482        1 O
 7            4.406    15.350     1.412        1 N
 1            4.765    14.616     0.837          H
 6            3.061    14.913     1.774          C
 6            3.087    13.651     2.641          C
 8            2.337    13.521     3.569        1 O
 7            4.018    12.738     2.316        1 N
 1            4.505    12.846     1.447          H
 6            4.137    11.551     3.174          C
 6            5.046    10.500     2.560          C
16            4.337     9.787     1.028        1 S
 6            4.601    11.921     4.576          C
 8            4.248    11.243     5.541        1 O
 7            5.394    12.978     4.706        1 N
 1            5.984    13.237     3.943          H
 6            5.843    13.482     6.032          C
 6            4.672    13.903     6.882          C
 8            4.529    13.446     8.006        1 O
 7            3.809    14.809     6.344        1 N
 1            3.938    15.167     5.442          H
 6            2.688    15.219     7.173          C
 6            1.681    14.131     7.413          C
 8            0.952    14.129     8.420        1 O
 7            1.598    13.160     6.513        1 N
 1            1.841    13.278     5.551          H
 6            0.686    12.029     6.707          C
 6            1.107    11.118     7.858          C
 8            0.272    10.616     8.544        1 O
 7            2.437    10.973     8.037        1 N
 1            3.021    11.060     7.230          H
 6            2.969     9.997     8.965          C
 6            3.604    10.524    10.232          C
 8            3.784     9.733    11.173        1 O
 7            3.985    11.770    10.244        1 N
 1            4.177    12.359     9.458          H
 6            4.777    12.343    11.346          C
 6            6.261    12.221    11.093          C
 8            7.037    12.745    11.939        1 O
 7            6.718    11.631    10.000        1 N
 1            6.210    11.115     9.310          H
 6            8.126    11.713     9.658          C
 6            8.468    10.725     8.508          C
16            8.046     8.988     8.885        1 S
 6            8.492    13.151     9.223          C
 8            7.585    13.954     8.954        1 O
 7            9.785    13.428     9.173        1 N
 1           10.348    12.679     9.524          H
 6           10.281    14.764     8.805          C
 6           11.325    14.631     7.738          C
 8           11.973    13.584     7.556        1 O
 7           11.525    15.742     7.032        1 N
 1           10.923    16.478     7.343          H
 6           12.568    15.863     6.023          C
 6           13.595    16.886     6.534          C
 8           13.182    17.994     6.927        1 O
 7           14.856    16.507     6.551        1 N
 1           14.987    15.573     6.220          H
 6           15.918    17.465     6.939          C
 6           16.905    17.555     5.830          C
 8           17.083    16.663     4.997        1 O
 7           17.654    18.692     5.799        1 N
 6           18.626    18.858     4.739          C
 6           19.905    18.053     4.925          C
 8           20.572    17.740     3.937        1 O
 7           20.196    17.723     6.174        1 N
 1           20.060    18.091     7.094          H
 6           21.416    16.948     6.491          C
 6           21.138    15.443     6.420          C
 8           20.137    15.016     5.875        1 O
 7           22.052    14.686     7.039        1 N
 1           22.914    14.807     7.533          H
 6           22.026    13.219     7.006          C
 6           21.929    12.612     8.384          C
 8           21.865    11.370     8.467        1 O
 7           21.854    13.440     9.424        1 N
 1           21.903    14.429     9.555          H
 6           21.929    12.918    10.789          C
 6           20.635    13.194    11.507          C
 8           20.321    14.295    11.957        1 O
 7           19.828    12.140    11.641        1 N
 1           20.199    11.260    11.344          H
 6           18.528    12.308    12.288          C
 6           17.639    11.072    12.006          C
16           17.194    10.917    10.242        1 S
 6           18.690    12.417    13.780          C
 8           19.532    11.736    14.398        1 O
 7           17.870    13.231    14.419        1 N
 6           17.930    13.395    15.878          C
 6           17.385    12.179    16.587          C
 8           16.647    11.343    16.033        1 O
 7           17.706    12.101    17.878        1 N
 1           18.359    12.737    18.287          H
 6           17.335    10.916    18.666          C
 6           15.865    10.677    18.863          C
 8           15.452     9.548    19.157        1 O
 7           15.027    11.726    18.722        1 N
 1           14.687    12.648    18.538          H
 6           13.570    11.559    18.829          C
 6           12.929    11.221    17.459          C
 8           11.709    11.033    17.410        1 O
 7           13.726    11.202    16.435        1 N
 1           14.716    11.249    16.298          H
 6           13.285    10.756    15.080          C
 6           14.290     9.707    14.601          C
 8           14.942     9.856    13.575        1 O
 7           14.357     8.638    15.394        1 N
 1           13.672     8.305    16.039          H
 6           15.435     7.651    15.270          C
 6           15.170     6.524    14.283          C
 8           16.095     5.712    14.041        1 O
 7           13.972     6.468    13.748        1 N
 1           13.188     7.084    13.663          H
 6           13.526     5.384    12.879          C
 7           23.675     4.770    18.931        1 N
 6           23.708     3.483    18.170          C
 6           24.971     3.454    17.376          C
 8           25.421     4.502    16.915        1 O
 7           25.547     2.266    17.249        1 N
 1           25.271     1.576    17.918          H
 6           26.778     2.141    16.452          C
 6           26.461     1.451    15.144          C
 8           25.649     0.514    15.069        1 O
 7           27.150     1.913    14.120        1 N
 1           27.675     2.715    14.407          H
 6           26.998     1.390    12.755          C
 6           26.322     2.431    11.836          C
16           24.774     3.094    12.501        1 S
 6           28.392     1.118    12.211          C
 8           29.275     1.983    12.353        1 O
 7           28.611    -0.011    11.566        1 N
 1           28.038    -0.830    11.527          H
 6           29.985    -0.334    11.118          C
 6           30.508    -1.594    11.833          C
16           30.820    -1.306    13.601        1 S
 6           29.999    -0.545     9.595          C
 8           29.018    -1.022     9.021        1 O
 7           31.111    -0.218     8.957        1 N
 6           31.186    -0.275     7.508          C
 6           31.351    -1.662     6.912          C
 8           31.173    -1.808     5.705        1 O
 7           31.782    -2.621     7.719        1 N
 1           31.980    -2.400     8.653          H
 6           31.974    -4.017     7.256          C
 6           31.884    -4.910     8.468          C
 8           31.950    -4.464     9.616        1 O
 7           31.782    -6.212     8.174        1 N
 1           31.793    -6.529     7.226          H
 6           31.737    -7.207     9.245          C
 6           33.075    -7.204    10.036          C
 8           32.975    -7.288    11.276        1 O
 7           34.181    -7.142     9.372        1 N
 1           34.230    -7.301     8.386          H
 6           35.489    -7.100    10.108          C
 6           35.532    -5.904    11.060          C
 8           36.023    -6.017    12.183        1 O
 7           35.040    -4.744    10.587        1 N
 1           34.686    -4.684     9.676          H
 6           35.048    -3.568    11.471          C
 6           34.205    -3.797    12.685          C
 8           34.596    -3.398    13.796        1 O
 7           33.020    -4.407    12.537        1 N
 1           32.677    -4.426    11.597          H
 6           32.179    -4.715    13.687          C
 6           32.882    -5.687    14.639          C
 8           32.806    -5.534    15.848        1 O
 7           33.474    -6.754    14.083        1 N
 1           33.303    -6.938    13.115          H
 6           34.149    -7.722    14.955          C
 6           35.270    -7.049    15.748          C
 8           35.435    -7.314    16.949        1 O
 7           36.005    -6.166    15.091        1 N
 1           36.012    -6.114    14.093          H
 6           37.083    -5.420    15.800          C
 6           36.512    -4.492    16.823          C
 8           37.102    -4.306    17.894        1 O
 7           35.374    -3.867    16.524        1 N
 1           35.102    -3.703    15.575          H
 6           34.709    -2.964    17.481          C
 6           34.345    -3.734    18.730          C
 8           34.527    -3.236    19.868        1 O
 7           33.775    -4.933    18.568        1 N
 1           33.446    -5.137    17.646          H
 6           33.349    -5.711    19.734          C
 6           34.557    -6.121    20.594          C
 8           34.399    -6.170    21.805        1 O
 7           35.678    -6.422    19.973        1 N
 1           35.601    -6.704    19.017          H
 6           36.875    -6.727    20.790          C
 6           37.351    -5.451    21.498          C
 8           37.716    -5.506    22.687        1 O
 7           37.373    -4.337    20.791        1 N
 1           37.281    -4.326    19.795          H
 6           37.774    -3.048    21.421          C
 6           37.656    -1.994    20.312          C
16           38.093    -0.310    20.886        1 S
 6           36.948    -2.755    22.632          C
 8           37.458    -2.170    23.618        1 O
 7           35.662    -3.087    22.610        1 N
 1           35.281    -3.137    21.687          H
 6           34.780    -2.813    23.719          C
 6           34.931    -3.732    24.898          C
 8           34.483    -3.419    25.993        1 O
 7           35.573    -4.896    24.734        1 N
 1           36.281    -5.097    24.057          H
 6           35.678    -5.873    25.838          C
 6           36.252    -5.294    27.118          C
 8           35.692    -5.569    28.203        1 O
 7           37.327    -4.518    27.070        1 N
 6           37.857    -3.962    28.336          C
 6           37.081    -2.786    28.852          C
 8           37.384    -2.276    29.940        1 O
 7           36.102    -2.282    28.087        1 N
 1           35.539    -2.677    27.360          H
 6           35.317    -1.135    28.510          C
 6           35.661     0.168    27.788          C
 8           35.136     1.210    28.214        1 O
 7           36.463     0.107    26.767        1 N
 1           36.795    -0.769    26.479          H
 6           36.884     1.285    26.040          C
 6           35.663     2.067    25.575          C
 8           34.731     1.462    25.020        1 O
 7           35.669     3.392    25.687        1 N
 6           34.528     4.169    25.192          C
 6           34.259     3.904    23.734          C
 8           35.136     3.747    22.891        1 O
 7           32.944     3.964    23.400        1 N
 1           32.275     4.300    24.063          H
 6           32.565     3.771    21.988          C
 6           33.254     4.735    21.070          C
 8           33.600     4.380    19.958        1 O
 7           33.456     6.000    21.495        1 N
 1           32.994     6.390    22.291          H
 6           34.059     6.988    20.591          C
 6           35.454     6.602    20.159          C
 8           35.860     6.831    19.036        1 O
 7           36.251     6.025    21.106        1 N
 1           35.892     5.291    21.681          H
 6           37.596     5.588    20.744          C
 6           37.570     4.326    19.877          C
 8           38.320     4.196    18.949        1 O
 7           36.639     3.413    20.202        1 N
 1           36.152     3.521    21.071          H
 6           36.520     2.226    19.344          C
 6           35.611     1.175    19.958          C
16           36.320     0.462    21.490        1 S
 6           36.056     2.596    17.942          C
 8           36.409     1.918    16.977        1 O
 7           35.263     3.653    17.812        1 N
 1           34.673     3.912    18.575          H
 6           34.814     4.157    16.486          C
 6           35.985     4.578    15.636          C
 8           36.128     4.121    14.512        1 O
 7           36.848     5.484    16.174        1 N
 1           36.719     5.842    17.076          H
 6           37.969     5.894    15.345          C
 6           38.976     4.806    15.105          C
 8           39.705     4.804    14.098        1 O
 7           39.059     3.835    16.005        1 N
 1           38.816     3.953    16.967          H
 6           39.971     2.704    15.811          C
 6           39.550     1.793    14.660          C
 8           40.385     1.291    13.974        1 O
 7           38.220     1.648    14.481        1 N
 1           37.636     1.735    15.288          H
 6           37.688     0.672    13.553          C
 6           37.053     1.199    12.286          C
 8           36.873     0.408    11.345        1 O
 7           36.672     2.445    12.274        1 N
 1           36.480     3.034    13.060          H
 6           35.880     3.018    11.172          C
 6           34.396     2.896    11.425          C
 8           33.620     3.420    10.579        1 O
 7           33.939     2.306    12.518        1 N
 1           34.447     1.790    13.208          H
 6           32.531     2.388    12.860          C
 6           32.189     1.400    14.010          C
16           32.611    -0.337    13.633        1 S
 6           32.165     3.826    13.295          C
 8           33.072     4.629    13.564        1 O
 7           30.872     4.103    13.345        1 N
 1           30.309     3.354    12.994          H
 6           30.376     5.439    13.713          C
 6           29.332     5.306    14.780          C
 8           28.684     4.259    14.962        1 O
 7           29.132     6.417    15.486        1 N
 1           29.734     7.153    15.175          H
 6           28.089     6.538    16.495          C
 6           27.062     7.561    15.984          C
 8           27.475     8.669    15.591        1 O
 7           25.801     7.182    15.967        1 N
 1           25.670     6.248    16.298          H
 6           24.739     8.140    15.579          C
 6           23.752     8.230    16.688          C
 8           23.574     7.338    17.521        1 O
 7           23.003     9.367    16.719        1 N
 6           22.031     9.533    17.779          C
 6           20.752     8.728    17.593          C
 8           20.085     8.415    18.581        1 O
 7           20.461     8.398    16.344        1 N
 1           20.597     8.766    15.424          H
 6           19.241     7.623    16.027          C
 6           19.519     6.118    16.098          C
 8           20.520     5.691    16.643        1 O
 7           18.605     5.361    15.479        1 N
 1           17.743     5.482    14.985          H
 6           18.631     3.894    15.512          C
 6           18.728     3.287    14.134          C
 8           18.792     2.045    14.051        1 O
 7           18.803     4.115    13.094        1 N
 1           18.754     5.104    12.963          H
 6           18.728     3.593    11.729          C
 6           20.022     3.869    11.011          C
 8           20.336     4.970    10.561        1 O
 7           20.829     2.815    10.877        1 N
 1           20.458     1.935    11.174          H
 6           22.129     2.983    10.230          C
 6           23.018     1.747    10.512          C
16           23.463     1.592    12.276        1 S
 6           21.967     3.092     8.738          C
 8           21.125     2.411     8.120        1 O
 7           22.787     3.906     8.099        1 N
 6           22.727     4.070     6.640          C
 6           23.272     2.854     5.931          C
 8           24.010     2.018     6.485        1 O
 7           22.951     2.776     4.640        1 N
 1           22.298     3.412     4.231          H
 6           23.322     1.591     3.852          C
 6           24.792     1.352     3.655          C
 8           25.205     0.223     3.361        1 O
 7           25.630     2.401     3.796        1 N
 1           25.970     3.323     3.980          H
 6           27.087     2.234     3.689          C
 6           27.728     1.896     5.059          C
 8           28.948     1.708     5.108        1 O
 7           26.931     1.877     6.083        1 N
 1           25.941     1.924     6.220          H
 6           27.372     1.431     7.438          C
 6           26.367     0.382     7.917          C
 8           25.715     0.531     8.943        1 O
 7           26.300    -0.687     7.124        1 N
 1           26.985    -1.020     6.479          H
 6           25.222    -1.674     7.248          C
 6           25.487    -2.801     8.235          C
 8           24.562    -3.613     8.477        1 O
 7           26.685    -2.857     8.770        1 N
 1           27.469    -2.241     8.855          H
 6           27.131    -3.941     9.639          C
 6           27.368    -3.512    11.072          C
 8           26.945    -2.394    11.453        1 O
 8           27.969    -4.341    11.803        1 O
