COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.351   0.813  -0.176  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.319   1.676   0.680  1.00  0.00           O  
HETATM    3  N   UNL     1      -4.230   0.904  -1.193  1.00  0.00           N  
HETATM    4  O   UNL     1      -7.765   2.058   0.526  1.00  0.00           O  
HETATM    5  N   UNL     1      -6.991   0.505  -0.803  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.148   2.044  -1.268  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.616   3.061  -2.280  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.234   3.547  -1.837  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.508   2.402  -3.657  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.574   4.251  -2.358  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.593   0.874   0.327  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.071  -0.097   1.368  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.168  -1.501   0.764  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.859  -1.802   0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.767  -0.881  -1.195  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.529   1.558  -1.711  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.503  -0.233  -0.110  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.468  -0.273   0.926  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.048  -1.723   1.172  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.261  -2.582   1.588  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.596  -2.394  -0.142  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.017  -3.940   0.964  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.058  -3.831  -0.033  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.671  -4.955  -0.744  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.239  -6.183  -0.466  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.196  -6.292   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.585  -5.171   1.245  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.273   0.526   0.474  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.284   1.075  -0.608  1.00  0.00           O  
HETATM   30  N   UNL     1       0.809   0.631   1.271  1.00  0.00           N  
HETATM   31  C   UNL     1       1.011   0.033   2.611  1.00  0.00           C  
HETATM   32  C   UNL     1       2.067   1.366   1.003  1.00  0.00           C  
HETATM   33  C   UNL     1       2.438   2.009   2.357  1.00  0.00           C  
HETATM   34  C   UNL     1       1.739   1.128   3.420  1.00  0.00           C  
HETATM   35  C   UNL     1       1.310   2.588   3.213  1.00  0.00           C  
HETATM   36  C   UNL     1       1.694   3.597   4.298  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.037   2.835   2.532  1.00  0.00           C  
HETATM   38  C   UNL     1       3.148   0.413   0.561  1.00  0.00           C  
HETATM   39  O   UNL     1       3.038  -0.774   0.784  1.00  0.00           O  
HETATM   40  N   UNL     1       4.236   0.880  -0.083  1.00  0.00           N  
HETATM   41  C   UNL     1       5.286  -0.046  -0.513  1.00  0.00           C  
HETATM   42  C   UNL     1       4.917  -0.640  -1.873  1.00  0.00           C  
HETATM   43  C   UNL     1       3.657  -1.495  -1.732  1.00  0.00           C  
HETATM   44  C   UNL     1       3.287  -2.089  -3.093  1.00  0.00           C  
HETATM   45  O   UNL     1       6.604   1.902  -0.642  1.00  0.00           O  
HETATM   46  C   UNL     1       6.594   0.695  -0.626  1.00  0.00           C  
HETATM   47  O   UNL     1       7.864  -1.276  -0.701  1.00  0.00           O  
HETATM   48  N   UNL     1       9.044   0.600  -0.819  1.00  0.00           N  
HETATM   49  C   UNL     1      10.302  -0.145  -0.909  1.00  0.00           C  
HETATM   50  C   UNL     1      11.452   0.823  -1.013  1.00  0.00           C  
HETATM   51  C   UNL     1      12.443   0.757  -0.158  1.00  0.00           C  
HETATM   52  C   UNL     1       7.874  -0.063  -0.718  1.00  0.00           C  
HETATM   53  H   UNL     1      -4.255   0.215  -1.876  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.225   2.513  -0.287  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.552   2.699  -1.781  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.856   4.272  -2.558  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.312   4.016  -0.856  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.492   2.056  -3.972  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.129   3.127  -4.377  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.825   1.554  -3.601  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.651   4.721  -1.377  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.196   4.976  -3.079  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.558   3.905  -2.674  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.369  -0.110   2.202  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.054   0.210   1.726  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.318  -2.232   1.559  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.003  -1.542   0.065  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.014  -1.621   0.688  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.855  -2.842  -0.302  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.516  -1.179  -1.929  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.776  -0.970  -1.640  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.467   1.163  -2.725  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.232   2.391  -1.688  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.578  -0.959  -0.749  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.861   0.153   1.849  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.261  -1.775   1.924  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.309  -2.668   2.674  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.183  -2.147   1.202  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.069  -1.909  -0.997  1.00  0.00           H  
HETATM   80  H   UNL     1       0.489  -2.350  -0.236  1.00  0.00           H  
HETATM   81  H   UNL     1       0.077  -4.870  -1.519  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.935  -7.057  -1.023  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.640  -7.251   0.744  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.333  -5.261   2.018  1.00  0.00           H  
HETATM   85  H   UNL     1       0.052  -0.205   3.070  1.00  0.00           H  
HETATM   86  H   UNL     1       1.631  -0.861   2.538  1.00  0.00           H  
HETATM   87  H   UNL     1       1.905   2.135   0.248  1.00  0.00           H  
HETATM   88  H   UNL     1       3.452   2.392   2.473  1.00  0.00           H  
HETATM   89  H   UNL     1       2.244   0.826   4.338  1.00  0.00           H  
HETATM   90  H   UNL     1       2.178   4.458   3.837  1.00  0.00           H  
HETATM   91  H   UNL     1       0.798   3.922   4.825  1.00  0.00           H  
HETATM   92  H   UNL     1       2.381   3.128   5.003  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.425   1.894   2.141  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.741   3.245   3.256  1.00  0.00           H  
HETATM   95  H   UNL     1       0.094   3.542   1.712  1.00  0.00           H  
HETATM   96  H   UNL     1       4.323   1.829  -0.261  1.00  0.00           H  
HETATM   97  H   UNL     1       5.385  -0.848   0.219  1.00  0.00           H  
HETATM   98  H   UNL     1       4.731   0.166  -2.583  1.00  0.00           H  
HETATM   99  H   UNL     1       5.738  -1.260  -2.234  1.00  0.00           H  
HETATM  100  H   UNL     1       3.842  -2.301  -1.022  1.00  0.00           H  
HETATM  101  H   UNL     1       2.836  -0.876  -1.371  1.00  0.00           H  
HETATM  102  H   UNL     1       3.101  -1.283  -3.802  1.00  0.00           H  
HETATM  103  H   UNL     1       4.108  -2.709  -3.454  1.00  0.00           H  
HETATM  104  H   UNL     1       2.389  -2.698  -2.991  1.00  0.00           H  
HETATM  105  H   UNL     1       9.052   1.569  -0.832  1.00  0.00           H  
HETATM  106  H   UNL     1      10.425  -0.761  -0.018  1.00  0.00           H  
HETATM  107  H   UNL     1      10.284  -0.784  -1.792  1.00  0.00           H  
HETATM  108  H   UNL     1      11.460   1.571  -1.792  1.00  0.00           H  
HETATM  109  H   UNL     1      12.435   0.009   0.621  1.00  0.00           H  
HETATM  110  H   UNL     1      13.267   1.451  -0.233  1.00  0.00           H  
CONECT    1    3    2    2   17                                       
CONECT    2    1    1                                                 
CONECT    3    1    6   53                                            
CONECT    4   11   11                                                 
CONECT    5   16   11   15                                            
CONECT    6    3    7   54   16                                       
CONECT    7    6    9   10    8                                       
CONECT    8    7   55   56   57                                       
CONECT    9    7   58   59   60                                       
CONECT   10    7   61   62   63                                       
CONECT   11    4    4    5   12                                       
CONECT   12   11   64   65   13                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   15   68   69                                       
CONECT   15   14    5   70   71                                       
CONECT   16    5    6   72   73                                       
CONECT   17    1   18   74                                            
CONECT   18   17   28   75   19                                       
CONECT   19   18   76   20   21                                       
CONECT   20   19   77   78   22                                       
CONECT   21   19   79   80   23                                       
CONECT   22   20   23   27   27                                       
CONECT   23   21   22   24   24                                       
CONECT   24   23   23   81   25                                       
CONECT   25   24   26   26   82                                       
CONECT   26   25   25   27   83                                       
CONECT   27   26   22   22   84                                       
CONECT   28   18   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   32   31                                            
CONECT   31   30   34   85   86                                       
CONECT   32   30   33   87   38                                       
CONECT   33   32   35   88   34                                       
CONECT   34   31   33   35   89                                       
CONECT   35   33   34   36   37                                       
CONECT   36   35   90   91   92                                       
CONECT   37   35   93   94   95                                       
CONECT   38   32   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   96   41                                            
CONECT   41   40   46   97   42                                       
CONECT   42   41   98   99   43                                       
CONECT   43   42  100  101   44                                       
CONECT   44   43  102  103  104                                       
CONECT   45   46   46                                                 
CONECT   46   41   45   45   52                                       
CONECT   47   52   52                                                 
CONECT   48   52  105   49                                            
CONECT   49   48  106  107   50                                       
CONECT   50   49  108   51   51                                       
CONECT   51   50   50  109  110                                       
CONECT   52   47   47   48   46                                       
CONECT   53    3                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   51                                                      
CONECT  110   51                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
