COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.846   2.865  -0.337  1.00  0.00           C  
HETATM    2  C   UNL     1       4.596   1.549  -0.551  1.00  0.00           C  
HETATM    3  C   UNL     1       3.905   0.741  -1.651  1.00  0.00           C  
HETATM    4  C   UNL     1       2.463   0.443  -1.236  1.00  0.00           C  
HETATM    5  C   UNL     1       1.947  -1.727  -2.113  1.00  0.00           C  
HETATM    6  C   UNL     1       3.566  -3.496  -2.092  1.00  0.00           C  
HETATM    7  C   UNL     1       5.065  -3.770  -2.232  1.00  0.00           C  
HETATM    8  C   UNL     1       7.112  -3.274  -1.117  1.00  0.00           C  
HETATM    9  C   UNL     1       7.919  -2.637  -0.015  1.00  0.00           C  
HETATM   10  C   UNL     1       9.401  -2.953  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1      10.221  -2.307   0.898  1.00  0.00           C  
HETATM   12  C   UNL     1      11.704  -2.623   0.692  1.00  0.00           C  
HETATM   13  C   UNL     1      12.523  -1.977   1.811  1.00  0.00           C  
HETATM   14  C   UNL     1      14.006  -2.293   1.605  1.00  0.00           C  
HETATM   15  C   UNL     1      14.825  -1.647   2.724  1.00  0.00           C  
HETATM   16  C   UNL     1      16.308  -1.963   2.518  1.00  0.00           C  
HETATM   17  C   UNL     1      17.127  -1.316   3.637  1.00  0.00           C  
HETATM   18  C   UNL     1      18.610  -1.632   3.431  1.00  0.00           C  
HETATM   19  C   UNL     1       2.802  -4.272  -3.168  1.00  0.00           C  
HETATM   20  C   UNL     1       1.310  -3.946  -3.060  1.00  0.00           C  
HETATM   21  C   UNL     1       1.118  -2.432  -3.190  1.00  0.00           C  
HETATM   22  C   UNL     1       1.712   1.759  -1.021  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.547   1.543  -1.413  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.596   0.853  -0.539  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.715  -1.255   0.566  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.500  -2.745   0.640  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.988  -3.265   1.994  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.769  -4.777   2.069  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.258  -5.296   3.423  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.039  -6.809   3.498  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.527  -7.328   4.852  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.308  -8.840   4.927  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.992   1.138  -1.096  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.279   0.750  -0.549  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.373   0.201   0.330  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.735   0.524  -0.289  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.846  -0.032   0.603  1.00  0.00           C  
HETATM   38  C   UNL     1     -13.207   0.291  -0.016  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.318  -0.266   0.877  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.680   0.057   0.258  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.791  -0.499   1.150  1.00  0.00           C  
HETATM   42  C   UNL     1     -18.152  -0.177   0.531  1.00  0.00           C  
HETATM   43  C   UNL     1     -19.263  -0.733   1.424  1.00  0.00           C  
HETATM   44  C   UNL     1     -20.625  -0.410   0.804  1.00  0.00           C  
HETATM   45  C   UNL     1       2.404   2.567   0.079  1.00  0.00           C  
HETATM   46  C   UNL     1       1.778   4.298   1.615  1.00  0.00           C  
HETATM   47  C   UNL     1       0.802   5.465   1.778  1.00  0.00           C  
HETATM   48  C   UNL     1       1.210   6.599   0.832  1.00  0.00           C  
HETATM   49  C   UNL     1       2.656   7.004   1.134  1.00  0.00           C  
HETATM   50  C   UNL     1       3.561   5.778   0.995  1.00  0.00           C  
HETATM   51  C   UNL     1       4.999   6.161   1.353  1.00  0.00           C  
HETATM   52  O   UNL     1       3.846   3.617  -1.552  1.00  0.00           O  
HETATM   53  O   UNL     1       4.596   0.797   0.664  1.00  0.00           O  
HETATM   54  O   UNL     1       3.906   1.493  -2.866  1.00  0.00           O  
HETATM   55  O   UNL     1       1.817  -0.311  -2.263  1.00  0.00           O  
HETATM   56  O   UNL     1       3.320  -2.097  -2.251  1.00  0.00           O  
HETATM   57  O   UNL     1       5.777  -3.129  -1.141  1.00  0.00           O  
HETATM   58  O   UNL     1       7.666  -3.915  -1.979  1.00  0.00           O  
HETATM   59  O   UNL     1       3.000  -5.674  -2.976  1.00  0.00           O  
HETATM   60  O   UNL     1       0.598  -4.609  -4.107  1.00  0.00           O  
HETATM   61  O   UNL     1       1.553  -2.005  -4.483  1.00  0.00           O  
HETATM   62  O   UNL     1       0.365   1.482  -0.633  1.00  0.00           O  
HETATM   63  O   UNL     1      -2.254   1.374  -0.829  1.00  0.00           O  
HETATM   64  O   UNL     1      -4.359  -0.580  -0.538  1.00  0.00           O  
HETATM   65  O   UNL     1      -5.209  -0.669   1.500  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.993   0.584  -0.202  1.00  0.00           O  
HETATM   67  O   UNL     1      -8.559   1.338  -1.567  1.00  0.00           O  
HETATM   68  O   UNL     1      -0.787   1.495  -2.879  1.00  0.00           O  
HETATM   69  O   UNL     1      -0.978   3.581  -1.471  1.00  0.00           O  
HETATM   70  O   UNL     1       1.703   3.796   0.279  1.00  0.00           O  
HETATM   71  O   UNL     1       0.838   5.933   3.128  1.00  0.00           O  
HETATM   72  O   UNL     1       0.348   7.721   1.031  1.00  0.00           O  
HETATM   73  O   UNL     1       3.072   8.012   0.209  1.00  0.00           O  
HETATM   74  O   UNL     1       5.862   5.048   1.112  1.00  0.00           O  
HETATM   75  O   UNL     1       3.108   4.751   1.879  1.00  0.00           O  
HETATM   76  P   UNL     1      -0.911   1.972  -1.484  1.00  0.00           P  
HETATM   77  H   UNL     1       4.338   3.441   0.447  1.00  0.00           H  
HETATM   78  H   UNL     1       5.624   1.761  -0.847  1.00  0.00           H  
HETATM   79  H   UNL     1       4.440  -0.197  -1.804  1.00  0.00           H  
HETATM   80  H   UNL     1       2.463  -0.130  -0.309  1.00  0.00           H  
HETATM   81  H   UNL     1       1.588  -2.022  -1.127  1.00  0.00           H  
HETATM   82  H   UNL     1       3.228  -3.815  -1.106  1.00  0.00           H  
HETATM   83  H   UNL     1       5.242  -4.845  -2.201  1.00  0.00           H  
HETATM   84  H   UNL     1       5.420  -3.371  -3.182  1.00  0.00           H  
HETATM   85  H   UNL     1       7.771  -1.558  -0.034  1.00  0.00           H  
HETATM   86  H   UNL     1       7.594  -3.032   0.948  1.00  0.00           H  
HETATM   87  H   UNL     1       9.549  -4.033  -0.202  1.00  0.00           H  
HETATM   88  H   UNL     1       9.727  -2.559  -1.184  1.00  0.00           H  
HETATM   89  H   UNL     1      10.073  -1.227   0.879  1.00  0.00           H  
HETATM   90  H   UNL     1       9.896  -2.701   1.861  1.00  0.00           H  
HETATM   91  H   UNL     1      11.851  -3.703   0.711  1.00  0.00           H  
HETATM   92  H   UNL     1      12.029  -2.229  -0.271  1.00  0.00           H  
HETATM   93  H   UNL     1      12.376  -0.897   1.792  1.00  0.00           H  
HETATM   94  H   UNL     1      12.198  -2.371   2.774  1.00  0.00           H  
HETATM   95  H   UNL     1      14.153  -3.373   1.624  1.00  0.00           H  
HETATM   96  H   UNL     1      14.331  -1.899   0.642  1.00  0.00           H  
HETATM   97  H   UNL     1      14.678  -0.567   2.705  1.00  0.00           H  
HETATM   98  H   UNL     1      14.500  -2.041   3.687  1.00  0.00           H  
HETATM   99  H   UNL     1      16.455  -3.043   2.537  1.00  0.00           H  
HETATM  100  H   UNL     1      16.633  -1.568   1.555  1.00  0.00           H  
HETATM  101  H   UNL     1      16.980  -0.237   3.618  1.00  0.00           H  
HETATM  102  H   UNL     1      16.802  -1.711   4.599  1.00  0.00           H  
HETATM  103  H   UNL     1      18.757  -2.712   3.450  1.00  0.00           H  
HETATM  104  H   UNL     1      18.935  -1.238   2.468  1.00  0.00           H  
HETATM  105  H   UNL     1      19.194  -1.172   4.228  1.00  0.00           H  
HETATM  106  H   UNL     1       3.168  -3.984  -4.154  1.00  0.00           H  
HETATM  107  H   UNL     1       0.932  -4.281  -2.094  1.00  0.00           H  
HETATM  108  H   UNL     1       0.065  -2.184  -3.059  1.00  0.00           H  
HETATM  109  H   UNL     1       1.713   2.333  -1.948  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.556   1.100  -2.409  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.777   2.605  -1.486  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.527   1.233   0.480  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.058  -3.233  -0.159  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.438  -2.965   0.528  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.430  -2.777   2.793  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.050  -3.045   2.106  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.327  -5.265   1.270  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.707  -4.996   1.957  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.699  -4.808   4.222  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.319  -5.077   3.534  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.597  -7.297   2.699  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.977  -7.028   3.386  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.969  -6.840   5.651  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.589  -7.109   4.964  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.656  -9.210   5.891  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.866  -9.328   4.128  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.246  -9.060   4.815  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.137   2.215  -1.180  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.091   0.681  -2.081  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.262  -0.879   0.418  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.307   0.656   1.319  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.847   1.605  -0.378  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.801   0.070  -1.278  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.734  -1.113   0.692  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.780   0.422   1.592  1.00  0.00           H  
HETATM  136  H   UNL     1     -13.319   1.371  -0.104  1.00  0.00           H  
HETATM  137  H   UNL     1     -13.274  -0.163  -1.005  1.00  0.00           H  
HETATM  138  H   UNL     1     -14.207  -1.346   0.965  1.00  0.00           H  
HETATM  139  H   UNL     1     -14.252   0.188   1.865  1.00  0.00           H  
HETATM  140  H   UNL     1     -15.792   1.138   0.169  1.00  0.00           H  
HETATM  141  H   UNL     1     -15.746  -0.397  -0.731  1.00  0.00           H  
HETATM  142  H   UNL     1     -16.679  -1.580   1.238  1.00  0.00           H  
HETATM  143  H   UNL     1     -16.724  -0.045   2.139  1.00  0.00           H  
HETATM  144  H   UNL     1     -18.264   0.904   0.443  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.219  -0.631  -0.458  1.00  0.00           H  
HETATM  146  H   UNL     1     -19.151  -1.814   1.512  1.00  0.00           H  
HETATM  147  H   UNL     1     -19.197  -0.279   2.412  1.00  0.00           H  
HETATM  148  H   UNL     1     -20.736   0.670   0.716  1.00  0.00           H  
HETATM  149  H   UNL     1     -20.691  -0.864  -0.184  1.00  0.00           H  
HETATM  150  H   UNL     1     -21.416  -0.807   1.440  1.00  0.00           H  
HETATM  151  H   UNL     1       2.403   1.994   1.006  1.00  0.00           H  
HETATM  152  H   UNL     1       1.518   3.505   2.316  1.00  0.00           H  
HETATM  153  H   UNL     1      -0.207   5.133   1.534  1.00  0.00           H  
HETATM  154  H   UNL     1       1.133   6.258  -0.200  1.00  0.00           H  
HETATM  155  H   UNL     1       2.721   7.393   2.150  1.00  0.00           H  
HETATM  156  H   UNL     1       3.527   5.414  -0.032  1.00  0.00           H  
HETATM  157  H   UNL     1       5.313   7.005   0.738  1.00  0.00           H  
HETATM  158  H   UNL     1       5.049   6.439   2.405  1.00  0.00           H  
HETATM  159  H   UNL     1       4.730   3.841  -1.875  1.00  0.00           H  
HETATM  160  H   UNL     1       5.019   1.249   1.407  1.00  0.00           H  
HETATM  161  H   UNL     1       4.789   1.717  -3.189  1.00  0.00           H  
HETATM  162  H   UNL     1       2.544  -6.228  -3.624  1.00  0.00           H  
HETATM  163  H   UNL     1      -0.355  -4.447  -4.099  1.00  0.00           H  
HETATM  164  H   UNL     1       1.464  -1.054  -4.633  1.00  0.00           H  
HETATM  165  H   UNL     1      -1.060   3.964  -0.587  1.00  0.00           H  
HETATM  166  H   UNL     1       0.595   5.265   3.783  1.00  0.00           H  
HETATM  167  H   UNL     1      -0.586   7.534   0.864  1.00  0.00           H  
HETATM  168  H   UNL     1       2.538   8.817   0.239  1.00  0.00           H  
HETATM  169  H   UNL     1       6.792   5.220   1.318  1.00  0.00           H  
CONECT    1   52   45    2   77                                       
CONECT    2   53    1    3   78                                       
CONECT    3    2   54    4   79                                       
CONECT    4   22    3   55   80                                       
CONECT    5   55   56   21   81                                       
CONECT    6   56    7   19   82                                       
CONECT    7    6   57   83   84                                       
CONECT    8   57    9   58   58                                       
CONECT    9    8   10   85   86                                       
CONECT   10    9   11   87   88                                       
CONECT   11   10   12   89   90                                       
CONECT   12   11   13   91   92                                       
CONECT   13   12   14   93   94                                       
CONECT   14   13   15   95   96                                       
CONECT   15   14   16   97   98                                       
CONECT   16   15   17   99  100                                       
CONECT   17   16   18  101  102                                       
CONECT   18   17  103  104  105                                       
CONECT   19    6   59   20  106                                       
CONECT   20   21   19   60  107                                       
CONECT   21    5   61   20  108                                       
CONECT   22   45   62    4  109                                       
CONECT   23   24   63  110  111                                       
CONECT   24   64   23   33  112                                       
CONECT   25   65   65   26   64                                       
CONECT   26   25   27  113  114                                       
CONECT   27   28   26  115  116                                       
CONECT   28   27   29  117  118                                       
CONECT   29   28   30  119  120                                       
CONECT   30   29   31  121  122                                       
CONECT   31   30   32  123  124                                       
CONECT   32   31  125  126  127                                       
CONECT   33   24   66  128  129                                       
CONECT   34   66   35   67   67                                       
CONECT   35   34   36  130  131                                       
CONECT   36   35   37  132  133                                       
CONECT   37   36   38  134  135                                       
CONECT   38   37   39  136  137                                       
CONECT   39   38   40  138  139                                       
CONECT   40   39   41  140  141                                       
CONECT   41   40   42  142  143                                       
CONECT   42   41   43  144  145                                       
CONECT   43   42   44  146  147                                       
CONECT   44   43  148  149  150                                       
CONECT   45   70    1   22  151                                       
CONECT   46   70   47   75  152                                       
CONECT   47   71   46   48  153                                       
CONECT   48   47   49   72  154                                       
CONECT   49   50   48   73  155                                       
CONECT   50   51   75   49  156                                       
CONECT   51   74   50  157  158                                       
CONECT   52    1  159                                                 
CONECT   53    2  160                                                 
CONECT   54    3  161                                                 
CONECT   55    4    5                                                 
CONECT   56    5    6                                                 
CONECT   57    7    8                                                 
CONECT   58    8    8                                                 
CONECT   59   19  162                                                 
CONECT   60   20  163                                                 
CONECT   61   21  164                                                 
CONECT   62   76   22                                                 
CONECT   63   23   76                                                 
CONECT   64   25   24                                                 
CONECT   65   25   25                                                 
CONECT   66   33   34                                                 
CONECT   67   34   34                                                 
CONECT   68   76   76                                                 
CONECT   69   76  165                                                 
CONECT   70   46   45                                                 
CONECT   71   47  166                                                 
CONECT   72   48  167                                                 
CONECT   73   49  168                                                 
CONECT   74   51  169                                                 
CONECT   75   46   50                                                 
CONECT   76   68   68   63   69                                       
CONECT   76   62                                                      
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    3                                                      
CONECT   80    4                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    7                                                      
CONECT   84    7                                                      
CONECT   85    9                                                      
CONECT   86    9                                                      
CONECT   87   10                                                      
CONECT   88   10                                                      
CONECT   89   11                                                      
CONECT   90   11                                                      
CONECT   91   12                                                      
CONECT   92   12                                                      
CONECT   93   13                                                      
CONECT   94   13                                                      
CONECT   95   14                                                      
CONECT   96   14                                                      
CONECT   97   15                                                      
CONECT   98   15                                                      
CONECT   99   16                                                      
CONECT  100   16                                                      
CONECT  101   17                                                      
CONECT  102   17                                                      
CONECT  103   18                                                      
CONECT  104   18                                                      
CONECT  105   18                                                      
CONECT  106   19                                                      
CONECT  107   20                                                      
CONECT  108   21                                                      
CONECT  109   22                                                      
CONECT  110   23                                                      
CONECT  111   23                                                      
CONECT  112   24                                                      
CONECT  113   26                                                      
CONECT  114   26                                                      
CONECT  115   27                                                      
CONECT  116   27                                                      
CONECT  117   28                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
CONECT  121   30                                                      
CONECT  122   30                                                      
CONECT  123   31                                                      
CONECT  124   31                                                      
CONECT  125   32                                                      
CONECT  126   32                                                      
CONECT  127   32                                                      
CONECT  128   33                                                      
CONECT  129   33                                                      
CONECT  130   35                                                      
CONECT  131   35                                                      
CONECT  132   36                                                      
CONECT  133   36                                                      
CONECT  134   37                                                      
CONECT  135   37                                                      
CONECT  136   38                                                      
CONECT  137   38                                                      
CONECT  138   39                                                      
CONECT  139   39                                                      
CONECT  140   40                                                      
CONECT  141   40                                                      
CONECT  142   41                                                      
CONECT  143   41                                                      
CONECT  144   42                                                      
CONECT  145   42                                                      
CONECT  146   43                                                      
CONECT  147   43                                                      
CONECT  148   44                                                      
CONECT  149   44                                                      
CONECT  150   44                                                      
CONECT  151   45                                                      
CONECT  152   46                                                      
CONECT  153   47                                                      
CONECT  154   48                                                      
CONECT  155   49                                                      
CONECT  156   50                                                      
CONECT  157   51                                                      
CONECT  158   51                                                      
CONECT  159   52                                                      
CONECT  160   53                                                      
CONECT  161   54                                                      
CONECT  162   59                                                      
CONECT  163   60                                                      
CONECT  164   61                                                      
CONECT  165   69                                                      
CONECT  166   71                                                      
CONECT  167   72                                                      
CONECT  168   73                                                      
CONECT  169   74                                                      
MASTER        0    0    0    0    0    0    0    0  169    0  169    0
END
