COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.003  -2.288   0.390  1.00  0.00           C  
HETATM    2  C   UNL     1       5.458   4.310  -2.634  1.00  0.00           C  
HETATM    3  C   UNL     1       9.102  -1.264   0.958  1.00  0.00           C  
HETATM    4  C   UNL     1       8.830  -1.251   2.327  1.00  0.00           C  
HETATM    5  C   UNL     1       8.024   2.114  -1.349  1.00  0.00           C  
HETATM    6  C   UNL     1       7.988  -0.292   2.851  1.00  0.00           C  
HETATM    7  C   UNL     1       7.412   0.655   2.022  1.00  0.00           C  
HETATM    8  C   UNL     1       7.677   0.648   0.665  1.00  0.00           C  
HETATM    9  C   UNL     1       7.046   1.683  -0.230  1.00  0.00           C  
HETATM   10  C   UNL     1       7.154   2.247  -2.614  1.00  0.00           C  
HETATM   11  C   UNL     1       5.156   3.194  -1.860  1.00  0.00           C  
HETATM   12  N   UNL     1      12.530  -5.233  -0.903  1.00  0.00           N  
HETATM   13  N   UNL     1      11.745  -4.296  -0.593  1.00  0.00           N  
HETATM   14  C   UNL     1      11.413  -4.175   0.660  1.00  0.00           C  
HETATM   15  N   UNL     1      10.565  -3.212   1.194  1.00  0.00           N  
HETATM   16  C   UNL     1      13.887  -7.179  -0.118  1.00  0.00           C  
HETATM   17  C   UNL     1       4.895   5.535  -2.336  1.00  0.00           C  
HETATM   18  C   UNL     1       5.227   6.739  -3.180  1.00  0.00           C  
HETATM   19  C   UNL     1       4.026   5.661  -1.268  1.00  0.00           C  
HETATM   20  C   UNL     1       3.413   7.000  -0.949  1.00  0.00           C  
HETATM   21  C   UNL     1       3.721   4.559  -0.491  1.00  0.00           C  
HETATM   22  C   UNL     1      12.950  -6.009   0.044  1.00  0.00           C  
HETATM   23  C   UNL     1       4.281   3.324  -0.787  1.00  0.00           C  
HETATM   24  C   UNL     1       2.952   2.318   1.067  1.00  0.00           C  
HETATM   25  C   UNL     1       1.581   1.959   0.491  1.00  0.00           C  
HETATM   26  C   UNL     1       0.522   2.062   1.590  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.864   1.826   0.988  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.923   1.929   2.088  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.695   1.676   0.340  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.209   0.867  -0.853  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.068  -1.249  -1.237  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.750  -2.980   0.572  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.666  -4.729  -0.323  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.193  -5.984  -0.676  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.857  -5.097  -2.701  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.781  -3.678  -1.248  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.303  -0.380  -0.887  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.732   1.054  -0.997  1.00  0.00           C  
HETATM   39  C   UNL     1       4.624   1.055  -0.212  1.00  0.00           C  
HETATM   40  C   UNL     1       4.680  -1.252  -0.015  1.00  0.00           C  
HETATM   41  C   UNL     1       6.256  -0.312  -1.468  1.00  0.00           C  
HETATM   42  C   UNL     1       5.873   1.074  -1.034  1.00  0.00           C  
HETATM   43  C   UNL     1       8.523  -0.302   0.129  1.00  0.00           C  
HETATM   44  N   UNL     1     -12.378  -3.905  -2.413  1.00  0.00           N  
HETATM   45  N   UNL     1       4.146  -0.060   0.275  1.00  0.00           N  
HETATM   46  N   UNL     1       5.661  -1.388  -0.922  1.00  0.00           N  
HETATM   47  N   UNL     1       5.753   1.970  -2.198  1.00  0.00           N  
HETATM   48  N   UNL     1       3.966   2.219   0.014  1.00  0.00           N  
HETATM   49  N   UNL     1     -11.194  -2.588  -0.656  1.00  0.00           N  
HETATM   50  N   UNL     1     -11.028  -4.236   0.765  1.00  0.00           N  
HETATM   51  N   UNL     1     -12.110  -7.057   0.194  1.00  0.00           N  
HETATM   52  N   UNL     1     -12.772  -6.116  -1.865  1.00  0.00           N  
HETATM   53  O   UNL     1      10.234  -2.300  -0.804  1.00  0.00           O  
HETATM   54  O   UNL     1      -7.519   3.903   1.372  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.886   1.910   2.878  1.00  0.00           O  
HETATM   56  O   UNL     1      -8.271   1.576   0.405  1.00  0.00           O  
HETATM   57  O   UNL     1      -9.970  -0.534  -0.632  1.00  0.00           O  
HETATM   58  O   UNL     1     -13.355  -0.584  -1.832  1.00  0.00           O  
HETATM   59  O   UNL     1     -12.047   1.622  -2.269  1.00  0.00           O  
HETATM   60  O   UNL     1       4.265  -2.241   0.560  1.00  0.00           O  
HETATM   61  O   UNL     1       7.108  -0.463  -2.317  1.00  0.00           O  
HETATM   62  O   UNL     1       7.569   1.296  -3.596  1.00  0.00           O  
HETATM   63  O   UNL     1       1.258   2.863  -0.568  1.00  0.00           O  
HETATM   64  O   UNL     1       0.571   3.364   2.177  1.00  0.00           O  
HETATM   65  O   UNL     1      -0.912   0.524   0.401  1.00  0.00           O  
HETATM   66  O   UNL     1      -3.224   1.824   1.507  1.00  0.00           O  
HETATM   67  O   UNL     1      -4.647   0.622   3.363  1.00  0.00           O  
HETATM   68  O   UNL     1      -4.593   3.139   3.171  1.00  0.00           O  
HETATM   69  O   UNL     1      -5.850   1.872   1.387  1.00  0.00           O  
HETATM   70  P   UNL     1      -4.579   1.892   2.375  1.00  0.00           P  
HETATM   71  P   UNL     1      -7.393   2.307   1.540  1.00  0.00           P  
HETATM   72  S   UNL     1      12.232  -5.455   1.557  1.00  0.00           S  
HETATM   73  H   UNL     1       6.138   4.219  -3.468  1.00  0.00           H  
HETATM   74  H   UNL     1       9.278  -1.990   2.975  1.00  0.00           H  
HETATM   75  H   UNL     1       8.483   3.072  -1.103  1.00  0.00           H  
HETATM   76  H   UNL     1       8.792   1.354  -1.495  1.00  0.00           H  
HETATM   77  H   UNL     1       7.776  -0.281   3.910  1.00  0.00           H  
HETATM   78  H   UNL     1       6.753   1.403   2.438  1.00  0.00           H  
HETATM   79  H   UNL     1       6.713   2.545   0.348  1.00  0.00           H  
HETATM   80  H   UNL     1       7.231   3.257  -3.016  1.00  0.00           H  
HETATM   81  H   UNL     1      10.378  -3.205   2.146  1.00  0.00           H  
HETATM   82  H   UNL     1      14.916  -6.839  -0.004  1.00  0.00           H  
HETATM   83  H   UNL     1      13.666  -7.929   0.641  1.00  0.00           H  
HETATM   84  H   UNL     1      13.756  -7.615  -1.109  1.00  0.00           H  
HETATM   85  H   UNL     1       4.515   6.815  -4.001  1.00  0.00           H  
HETATM   86  H   UNL     1       5.172   7.638  -2.566  1.00  0.00           H  
HETATM   87  H   UNL     1       6.235   6.634  -3.581  1.00  0.00           H  
HETATM   88  H   UNL     1       2.473   7.107  -1.491  1.00  0.00           H  
HETATM   89  H   UNL     1       3.225   7.068   0.122  1.00  0.00           H  
HETATM   90  H   UNL     1       4.097   7.794  -1.249  1.00  0.00           H  
HETATM   91  H   UNL     1       3.043   4.658   0.343  1.00  0.00           H  
HETATM   92  H   UNL     1       2.928   3.336   1.454  1.00  0.00           H  
HETATM   93  H   UNL     1       3.198   1.628   1.875  1.00  0.00           H  
HETATM   94  H   UNL     1       1.605   0.940   0.104  1.00  0.00           H  
HETATM   95  H   UNL     1       0.719   1.311   2.356  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.060   2.576   0.223  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.779   1.123   2.807  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.827   2.889   2.595  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.981   2.721   0.219  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.130   1.285   1.259  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.705   1.189  -1.764  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.936  -1.312  -2.317  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.238  -2.343   1.278  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.336  -5.248  -3.657  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.648  -0.585   0.127  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.116   1.681  -0.192  1.00  0.00           H  
HETATM  107  H   UNL     1       8.733  -0.303  -0.931  1.00  0.00           H  
HETATM  108  H   UNL     1       5.946  -2.276  -1.187  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.685  -6.948   1.059  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.477  -7.918  -0.061  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.213   4.234   0.517  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.114   0.002  -1.709  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.996   1.709  -2.437  1.00  0.00           H  
HETATM  114  H   UNL     1       8.482   1.411  -3.894  1.00  0.00           H  
HETATM  115  H   UNL     1       1.219   3.790  -0.296  1.00  0.00           H  
HETATM  116  H   UNL     1       0.405   4.084   1.553  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.746  -0.196   1.026  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.642  -0.231   2.908  1.00  0.00           H  
CONECT    1   53   53   15    3                                       
CONECT    2   17   17   11   73                                       
CONECT    3    1   43   43    4                                       
CONECT    4    3    6    6   74                                       
CONECT    5   10    9   75   76                                       
CONECT    6    4    4    7   77                                       
CONECT    7    8    8    6   78                                       
CONECT    8   43    9    7    7                                       
CONECT    9    5   42    8   79                                       
CONECT   10   62    5   47   80                                       
CONECT   11    2   47   23   23                                       
CONECT   12   22   22   13                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   72   15                                       
CONECT   15   14    1   81                                            
CONECT   16   22   82   83   84                                       
CONECT   17   18    2    2   19                                       
CONECT   18   17   85   86   87                                       
CONECT   19   17   20   21   21                                       
CONECT   20   19   88   89   90                                       
CONECT   21   19   19   23   91                                       
CONECT   22   12   12   16   72                                       
CONECT   23   11   11   21   48                                       
CONECT   24   48   25   92   93                                       
CONECT   25   63   24   26   94                                       
CONECT   26   25   27   64   95                                       
CONECT   27   26   65   28   96                                       
CONECT   28   27   66   97   98                                       
CONECT   29   56   30   99  100                                       
CONECT   30   38   57   29  101                                       
CONECT   31   37   49   57  102                                       
CONECT   32   50   50   49  103                                       
CONECT   33   50   36   36   34                                       
CONECT   34   33   51   52   52                                       
CONECT   35   44   44   52  104                                       
CONECT   36   49   33   33   44                                       
CONECT   37   58   38   31  105                                       
CONECT   38   37   59   30  106                                       
CONECT   39   42   48   45   45                                       
CONECT   40   46   45   60   60                                       
CONECT   41   61   61   42   46                                       
CONECT   42   47    9   41   39                                       
CONECT   43    3    3    8  107                                       
CONECT   44   36   35   35                                            
CONECT   45   39   39   40                                            
CONECT   46   41   40  108                                            
CONECT   47   10   11   42                                            
CONECT   48   23   39   24                                            
CONECT   49   32   31   36                                            
CONECT   50   32   32   33                                            
CONECT   51   34  109  110                                            
CONECT   52   34   34   35                                            
CONECT   53    1    1                                                 
CONECT   54   71  111                                                 
CONECT   55   71   71                                                 
CONECT   56   71   29                                                 
CONECT   57   31   30                                                 
CONECT   58   37  112                                                 
CONECT   59   38  113                                                 
CONECT   60   40   40                                                 
CONECT   61   41   41                                                 
CONECT   62   10  114                                                 
CONECT   63   25  115                                                 
CONECT   64   26  116                                                 
CONECT   65   27  117                                                 
CONECT   66   28   70                                                 
CONECT   67   70  118                                                 
CONECT   68   70   70                                                 
CONECT   69   71   70                                                 
CONECT   70   69   66   68   68                                       
CONECT   70   67                                                      
CONECT   71   55   55   54   56                                       
CONECT   71   69                                                      
CONECT   72   22   14                                                 
CONECT   73    2                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    9                                                      
CONECT   80   10                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   16                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   21                                                      
CONECT   92   24                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   35                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   43                                                      
CONECT  108   46                                                      
CONECT  109   51                                                      
CONECT  110   51                                                      
CONECT  111   54                                                      
CONECT  112   58                                                      
CONECT  113   59                                                      
CONECT  114   62                                                      
CONECT  115   63                                                      
CONECT  116   64                                                      
CONECT  117   65                                                      
CONECT  118   67                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
