COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.333   2.300  -0.089  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.510   1.537  -0.528  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.231   0.040  -0.381  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.405  -0.756  -0.953  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.565   3.745  -0.217  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.224   4.465  -0.367  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.466   5.970  -0.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.183   6.484   0.750  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.525   5.764   0.900  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.283   4.259   1.033  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.416   4.213   0.784  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.274   6.223  -1.651  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.333   6.016  -0.252  1.00  0.00           O  
HETATM   14  N   UNL     1      -4.007  -0.303  -1.110  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.806  -0.152  -0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.657  -0.493  -0.114  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.737   0.267   0.618  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.643  -0.351  -2.303  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.419  -0.899   1.236  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.831  -1.290  -0.686  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.109  -0.932   0.075  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.284  -1.728  -0.498  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.562  -1.370   0.264  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.736  -2.167  -0.309  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.014  -1.809   0.452  1.00  0.00           C  
HETATM   26  C   UNL     1     -16.189  -2.605  -0.120  1.00  0.00           C  
HETATM   27  C   UNL     1     -17.467  -2.247   0.641  1.00  0.00           C  
HETATM   28  C   UNL     1     -18.641  -3.043   0.068  1.00  0.00           C  
HETATM   29  C   UNL     1     -19.919  -2.685   0.830  1.00  0.00           C  
HETATM   30  C   UNL     1     -21.094  -3.482   0.257  1.00  0.00           C  
HETATM   31  C   UNL     1     -22.372  -3.124   1.018  1.00  0.00           C  
HETATM   32  C   UNL     1     -23.546  -3.920   0.446  1.00  0.00           C  
HETATM   33  C   UNL     1     -24.824  -3.562   1.207  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.547  -0.505  -1.267  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.331  -0.243  -0.375  1.00  0.00           C  
HETATM   36  C   UNL     1       0.947  -0.601  -1.136  1.00  0.00           C  
HETATM   37  C   UNL     1       2.162  -0.339  -0.244  1.00  0.00           C  
HETATM   38  C   UNL     1       3.440  -0.697  -1.005  1.00  0.00           C  
HETATM   39  C   UNL     1       4.655  -0.436  -0.112  1.00  0.00           C  
HETATM   40  C   UNL     1       5.933  -0.794  -0.874  1.00  0.00           C  
HETATM   41  C   UNL     1       7.148  -0.532   0.019  1.00  0.00           C  
HETATM   42  C   UNL     1       8.426  -0.890  -0.742  1.00  0.00           C  
HETATM   43  C   UNL     1       9.641  -0.628   0.150  1.00  0.00           C  
HETATM   44  C   UNL     1      10.919  -0.986  -0.611  1.00  0.00           C  
HETATM   45  C   UNL     1      12.134  -0.725   0.281  1.00  0.00           C  
HETATM   46  C   UNL     1      13.413  -1.082  -0.480  1.00  0.00           C  
HETATM   47  C   UNL     1      14.627  -0.821   0.412  1.00  0.00           C  
HETATM   48  C   UNL     1      15.906  -1.179  -0.349  1.00  0.00           C  
HETATM   49  C   UNL     1      17.121  -0.917   0.543  1.00  0.00           C  
HETATM   50  C   UNL     1      18.399  -1.275  -0.218  1.00  0.00           C  
HETATM   51  C   UNL     1      19.614  -1.013   0.675  1.00  0.00           C  
HETATM   52  C   UNL     1      20.892  -1.371  -0.086  1.00  0.00           C  
HETATM   53  C   UNL     1      22.107  -1.110   0.806  1.00  0.00           C  
HETATM   54  C   UNL     1      23.385  -1.468   0.045  1.00  0.00           C  
HETATM   55  C   UNL     1      24.600  -1.206   0.937  1.00  0.00           C  
HETATM   56  C   UNL     1      25.878  -1.564   0.176  1.00  0.00           C  
HETATM   57  C   UNL     1      27.093  -1.302   1.068  1.00  0.00           C  
HETATM   58  C   UNL     1      28.372  -1.660   0.307  1.00  0.00           C  
HETATM   59  O   UNL     1      -3.376   6.231   1.901  1.00  0.00           O  
HETATM   60  H   UNL     1      -4.077   2.057   0.856  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.369   1.809   0.085  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.722   1.766  -1.572  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.106  -0.204   0.674  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.168  -1.820  -0.929  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.182   3.938  -1.095  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.713   4.099  -1.257  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.510   6.484  -0.607  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.356   7.556   0.655  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.036   6.129   1.790  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.239   3.745   1.140  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.667   4.066   1.911  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.549   4.640   0.757  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.467   7.159  -1.798  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.527   6.952  -0.398  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.061  -0.638  -2.018  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.893   0.570  -0.138  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.859   0.586  -2.400  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.203  -1.836   1.333  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.956  -1.046  -1.741  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.632  -2.356  -0.581  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.984  -1.176   1.130  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.308   0.135  -0.030  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.408  -1.484  -1.553  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.085  -2.795  -0.393  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.437  -1.615   1.318  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.761  -0.304   0.159  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.861  -1.922  -1.364  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.537  -3.233  -0.204  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.889  -2.053   1.507  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.213  -0.742   0.347  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.313  -2.361  -1.175  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.990  -3.672  -0.015  1.00  0.00           H  
HETATM   93  H   UNL     1     -17.342  -2.491   1.696  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.666  -1.181   0.536  1.00  0.00           H  
HETATM   95  H   UNL     1     -18.766  -2.799  -0.986  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.442  -4.110   0.174  1.00  0.00           H  
HETATM   97  H   UNL     1     -19.794  -2.930   1.885  1.00  0.00           H  
HETATM   98  H   UNL     1     -20.118  -1.619   0.725  1.00  0.00           H  
HETATM   99  H   UNL     1     -21.218  -3.238  -0.798  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.895  -4.549   0.362  1.00  0.00           H  
HETATM  101  H   UNL     1     -22.247  -3.368   2.073  1.00  0.00           H  
HETATM  102  H   UNL     1     -22.570  -2.057   0.913  1.00  0.00           H  
HETATM  103  H   UNL     1     -23.671  -3.676  -0.609  1.00  0.00           H  
HETATM  104  H   UNL     1     -23.347  -4.987   0.551  1.00  0.00           H  
HETATM  105  H   UNL     1     -24.699  -3.807   2.262  1.00  0.00           H  
HETATM  106  H   UNL     1     -25.023  -2.496   1.102  1.00  0.00           H  
HETATM  107  H   UNL     1     -25.661  -4.130   0.799  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.573  -1.558  -1.546  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.476   0.107  -2.166  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.306   0.810  -0.096  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.402  -0.855   0.524  1.00  0.00           H  
HETATM  112  H   UNL     1       0.921  -1.655  -1.415  1.00  0.00           H  
HETATM  113  H   UNL     1       1.018   0.011  -2.035  1.00  0.00           H  
HETATM  114  H   UNL     1       2.188   0.714   0.035  1.00  0.00           H  
HETATM  115  H   UNL     1       2.091  -0.951   0.655  1.00  0.00           H  
HETATM  116  H   UNL     1       3.414  -1.751  -1.283  1.00  0.00           H  
HETATM  117  H   UNL     1       3.511  -0.085  -1.904  1.00  0.00           H  
HETATM  118  H   UNL     1       4.681   0.618   0.166  1.00  0.00           H  
HETATM  119  H   UNL     1       4.584  -1.048   0.787  1.00  0.00           H  
HETATM  120  H   UNL     1       5.907  -1.847  -1.152  1.00  0.00           H  
HETATM  121  H   UNL     1       6.004  -0.182  -1.773  1.00  0.00           H  
HETATM  122  H   UNL     1       7.174   0.521   0.297  1.00  0.00           H  
HETATM  123  H   UNL     1       7.077  -1.144   0.918  1.00  0.00           H  
HETATM  124  H   UNL     1       8.400  -1.943  -1.021  1.00  0.00           H  
HETATM  125  H   UNL     1       8.497  -0.278  -1.642  1.00  0.00           H  
HETATM  126  H   UNL     1       9.667   0.425   0.428  1.00  0.00           H  
HETATM  127  H   UNL     1       9.570  -1.240   1.049  1.00  0.00           H  
HETATM  128  H   UNL     1      10.893  -2.040  -0.890  1.00  0.00           H  
HETATM  129  H   UNL     1      10.990  -0.374  -1.510  1.00  0.00           H  
HETATM  130  H   UNL     1      12.160   0.329   0.560  1.00  0.00           H  
HETATM  131  H   UNL     1      12.063  -1.337   1.180  1.00  0.00           H  
HETATM  132  H   UNL     1      13.387  -2.136  -0.759  1.00  0.00           H  
HETATM  133  H   UNL     1      13.483  -0.470  -1.379  1.00  0.00           H  
HETATM  134  H   UNL     1      14.654   0.233   0.691  1.00  0.00           H  
HETATM  135  H   UNL     1      14.557  -1.433   1.311  1.00  0.00           H  
HETATM  136  H   UNL     1      15.880  -2.232  -0.627  1.00  0.00           H  
HETATM  137  H   UNL     1      15.977  -0.567  -1.248  1.00  0.00           H  
HETATM  138  H   UNL     1      17.147   0.136   0.822  1.00  0.00           H  
HETATM  139  H   UNL     1      17.050  -1.529   1.443  1.00  0.00           H  
HETATM  140  H   UNL     1      18.373  -2.329  -0.496  1.00  0.00           H  
HETATM  141  H   UNL     1      18.470  -0.663  -1.117  1.00  0.00           H  
HETATM  142  H   UNL     1      19.640   0.040   0.953  1.00  0.00           H  
HETATM  143  H   UNL     1      19.543  -1.625   1.574  1.00  0.00           H  
HETATM  144  H   UNL     1      20.866  -2.425  -0.365  1.00  0.00           H  
HETATM  145  H   UNL     1      20.963  -0.759  -0.986  1.00  0.00           H  
HETATM  146  H   UNL     1      22.133  -0.056   1.084  1.00  0.00           H  
HETATM  147  H   UNL     1      22.036  -1.722   1.705  1.00  0.00           H  
HETATM  148  H   UNL     1      23.359  -2.521  -0.234  1.00  0.00           H  
HETATM  149  H   UNL     1      23.456  -0.856  -0.854  1.00  0.00           H  
HETATM  150  H   UNL     1      24.626  -0.153   1.216  1.00  0.00           H  
HETATM  151  H   UNL     1      24.529  -1.818   1.836  1.00  0.00           H  
HETATM  152  H   UNL     1      25.852  -2.618  -0.103  1.00  0.00           H  
HETATM  153  H   UNL     1      25.949  -0.952  -0.723  1.00  0.00           H  
HETATM  154  H   UNL     1      27.119  -0.249   1.347  1.00  0.00           H  
HETATM  155  H   UNL     1      27.022  -1.914   1.967  1.00  0.00           H  
HETATM  156  H   UNL     1      28.346  -2.714   0.029  1.00  0.00           H  
HETATM  157  H   UNL     1      28.442  -1.048  -0.592  1.00  0.00           H  
HETATM  158  H   UNL     1      29.237  -1.474   0.943  1.00  0.00           H  
HETATM  159  H   UNL     1      -3.769   6.531   2.731  1.00  0.00           H  
CONECT    1    2    5   60                                            
CONECT    2    1    3   61   62                                       
CONECT    3    2    4   14   63                                       
CONECT    4    3   16   18   64                                       
CONECT    5    1    6   10   65                                       
CONECT    6    5    7   11   66                                       
CONECT    7    6    8   12   67                                       
CONECT    8    7    9   59   68                                       
CONECT    9    8   10   13   69                                       
CONECT   10    5    9   70   71                                       
CONECT   11    6   72                                                 
CONECT   12    7   73                                                 
CONECT   13    9   74                                                 
CONECT   14    3   15   75                                            
CONECT   15   14   17   17   34                                       
CONECT   16    4   19   20   76                                       
CONECT   17   15   15                                                 
CONECT   18    4   77                                                 
CONECT   19   16   78                                                 
CONECT   20   16   21   79   80                                       
CONECT   21   20   22   81   82                                       
CONECT   22   21   23   83   84                                       
CONECT   23   22   24   85   86                                       
CONECT   24   23   25   87   88                                       
CONECT   25   24   26   89   90                                       
CONECT   26   25   27   91   92                                       
CONECT   27   26   28   93   94                                       
CONECT   28   27   29   95   96                                       
CONECT   29   28   30   97   98                                       
CONECT   30   29   31   99  100                                       
CONECT   31   30   32  101  102                                       
CONECT   32   31   33  103  104                                       
CONECT   33   32  105  106  107                                       
CONECT   34   15   35  108  109                                       
CONECT   35   34   36  110  111                                       
CONECT   36   35   37  112  113                                       
CONECT   37   36   38  114  115                                       
CONECT   38   37   39  116  117                                       
CONECT   39   38   40  118  119                                       
CONECT   40   39   41  120  121                                       
CONECT   41   40   42  122  123                                       
CONECT   42   41   43  124  125                                       
CONECT   43   42   44  126  127                                       
CONECT   44   43   45  128  129                                       
CONECT   45   44   46  130  131                                       
CONECT   46   45   47  132  133                                       
CONECT   47   46   48  134  135                                       
CONECT   48   47   49  136  137                                       
CONECT   49   48   50  138  139                                       
CONECT   50   49   51  140  141                                       
CONECT   51   50   52  142  143                                       
CONECT   52   51   53  144  145                                       
CONECT   53   52   54  146  147                                       
CONECT   54   53   55  148  149                                       
CONECT   55   54   56  150  151                                       
CONECT   56   55   57  152  153                                       
CONECT   57   56   58  154  155                                       
CONECT   58   57  156  157  158                                       
CONECT   59    8  159                                                 
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   16                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   35                                                      
CONECT  111   35                                                      
CONECT  112   36                                                      
CONECT  113   36                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   39                                                      
CONECT  120   40                                                      
CONECT  121   40                                                      
CONECT  122   41                                                      
CONECT  123   41                                                      
CONECT  124   42                                                      
CONECT  125   42                                                      
CONECT  126   43                                                      
CONECT  127   43                                                      
CONECT  128   44                                                      
CONECT  129   44                                                      
CONECT  130   45                                                      
CONECT  131   45                                                      
CONECT  132   46                                                      
CONECT  133   46                                                      
CONECT  134   47                                                      
CONECT  135   47                                                      
CONECT  136   48                                                      
CONECT  137   48                                                      
CONECT  138   49                                                      
CONECT  139   49                                                      
CONECT  140   50                                                      
CONECT  141   50                                                      
CONECT  142   51                                                      
CONECT  143   51                                                      
CONECT  144   52                                                      
CONECT  145   52                                                      
CONECT  146   53                                                      
CONECT  147   53                                                      
CONECT  148   54                                                      
CONECT  149   54                                                      
CONECT  150   55                                                      
CONECT  151   55                                                      
CONECT  152   56                                                      
CONECT  153   56                                                      
CONECT  154   57                                                      
CONECT  155   57                                                      
CONECT  156   58                                                      
CONECT  157   58                                                      
CONECT  158   58                                                      
CONECT  159   59                                                      
MASTER        0    0    0    0    0    0    0    0  159    0  159    0
END
