COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       8.498  -4.328  -0.472  1.00  0.00           O  
HETATM    2  C   UNK A   0       9.468  -3.626  -0.256  1.00  0.00           C  
HETATM    3  C   UNK A   0       9.320  -2.196   0.064  1.00  0.00           C  
HETATM    4  N   UNK A   0      10.723  -4.131  -0.295  1.00  0.00           N  
HETATM    5  C   UNK A   0      10.493  -1.443   0.303  1.00  0.00           C  
HETATM    6  N   UNK A   0       8.130  -1.615   0.130  1.00  0.00           N  
HETATM    7  C   UNK A   0      11.798  -3.329  -0.050  1.00  0.00           C  
HETATM    8  N   UNK A   0      10.389  -0.146   0.596  1.00  0.00           N  
HETATM    9  N   UNK A   0      11.691  -2.054   0.231  1.00  0.00           N  
HETATM   10  C   UNK A   0       8.048  -0.331   0.421  1.00  0.00           C  
HETATM   11  N   UNK A   0      13.051  -3.883  -0.100  1.00  0.00           N  
HETATM   12  C   UNK A   0       9.198   0.415   0.657  1.00  0.00           C  
HETATM   13  C   UNK A   0       6.697   0.332   0.497  1.00  0.00           C  
HETATM   14  N   UNK A   0       6.282   0.751  -0.845  1.00  0.00           N  
HETATM   15  C   UNK A   0       5.061   1.390  -1.027  1.00  0.00           C  
HETATM   16  C   UNK A   0       4.668   1.787  -2.302  1.00  0.00           C  
HETATM   17  C   UNK A   0       4.231   1.627   0.065  1.00  0.00           C  
HETATM   18  C   UNK A   0       3.460   2.420  -2.486  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.022   2.259  -0.112  1.00  0.00           C  
HETATM   20  C   UNK A   0       2.627   2.664  -1.390  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.332   3.343  -1.584  1.00  0.00           C  
HETATM   22  O   UNK A   0       0.988   3.691  -2.697  1.00  0.00           O  
HETATM   23  N   UNK A   1       0.530   3.578  -0.526  1.00  0.00           N  
HETATM   24  C   UNK A   1      -0.757   4.252  -0.718  1.00  0.00           C  
HETATM   25  C   UNK A   1      -0.548   5.745  -0.708  1.00  0.00           C  
HETATM   26  O   UNK A   1       0.561   6.198  -0.556  1.00  0.00           O  
HETATM   27  C   UNK A   1      -1.710   3.862   0.413  1.00  0.00           C  
HETATM   28  C   UNK A   1      -2.020   2.367   0.326  1.00  0.00           C  
HETATM   29  C   UNK A   1      -2.960   1.983   1.440  1.00  0.00           C  
HETATM   30  O   UNK A   1      -3.344   2.823   2.226  1.00  0.00           O  
HETATM   31  O   UNK A   1      -1.595   6.570  -0.868  1.00  0.00           O  
HETATM   32  N   UNK A   1      -3.374   0.706   1.563  1.00  0.00           N  
HETATM   33  C   UNK A   1      -4.287   0.333   2.647  1.00  0.00           C  
HETATM   34  C   UNK A   1      -3.494   0.045   3.895  1.00  0.00           C  
HETATM   35  O   UNK A   1      -2.290   0.141   3.882  1.00  0.00           O  
HETATM   36  C   UNK A   1      -5.074  -0.915   2.243  1.00  0.00           C  
HETATM   37  C   UNK A   1      -5.974  -0.586   1.050  1.00  0.00           C  
HETATM   38  C   UNK A   1      -6.750  -1.815   0.652  1.00  0.00           C  
HETATM   39  O   UNK A   1      -6.598  -2.852   1.262  1.00  0.00           O  
HETATM   40  O   UNK A   1      -4.126  -0.319   5.022  1.00  0.00           O  
HETATM   41  N   UNK A   1      -7.612  -1.763  -0.382  1.00  0.00           N  
HETATM   42  C   UNK A   1      -8.366  -2.958  -0.769  1.00  0.00           C  
HETATM   43  C   UNK A   1      -7.530  -3.801  -1.697  1.00  0.00           C  
HETATM   44  O   UNK A   1      -6.418  -3.440  -2.004  1.00  0.00           O  
HETATM   45  C   UNK A   1      -9.654  -2.540  -1.481  1.00  0.00           C  
HETATM   46  C   UNK A   1     -10.559  -1.790  -0.501  1.00  0.00           C  
HETATM   47  C   UNK A   1     -11.828  -1.378  -1.203  1.00  0.00           C  
HETATM   48  O   UNK A   1     -11.991  -1.656  -2.367  1.00  0.00           O  
HETATM   49  O   UNK A   1     -12.775  -0.703  -0.534  1.00  0.00           O  
HETATM   50  O   UNK A   1      -8.020  -4.952  -2.183  1.00  0.00           O  
HETATM   51  H   UNK A   0      10.859  -5.070  -0.498  1.00  0.00           H  
HETATM   52  H   UNK A   0      13.157  -4.825  -0.306  1.00  0.00           H  
HETATM   53  H   UNK A   0      13.832  -3.333   0.071  1.00  0.00           H  
HETATM   54  H   UNK A   0       9.114   1.465   0.894  1.00  0.00           H  
HETATM   55  H   UNK A   0       5.969  -0.371   0.899  1.00  0.00           H  
HETATM   56  H   UNK A   0       6.757   1.205   1.147  1.00  0.00           H  
HETATM   57  H   UNK A   0       6.859   0.581  -1.606  1.00  0.00           H  
HETATM   58  H   UNK A   0       5.312   1.598  -3.148  1.00  0.00           H  
HETATM   59  H   UNK A   0       4.537   1.314   1.053  1.00  0.00           H  
HETATM   60  H   UNK A   0       3.157   2.728  -3.475  1.00  0.00           H  
HETATM   61  H   UNK A   0       2.378   2.443   0.736  1.00  0.00           H  
HETATM   62  H   UNK A   1       0.804   3.300   0.362  1.00  0.00           H  
HETATM   63  H   UNK A   1      -1.185   3.952  -1.674  1.00  0.00           H  
HETATM   64  H   UNK A   1      -1.244   4.082   1.373  1.00  0.00           H  
HETATM   65  H   UNK A   1      -2.636   4.431   0.320  1.00  0.00           H  
HETATM   66  H   UNK A   1      -2.487   2.148  -0.634  1.00  0.00           H  
HETATM   67  H   UNK A   1      -1.095   1.798   0.419  1.00  0.00           H  
HETATM   68  H   UNK A   1      -1.411   7.519  -0.854  1.00  0.00           H  
HETATM   69  H   UNK A   1      -3.067   0.034   0.935  1.00  0.00           H  
HETATM   70  H   UNK A   1      -4.979   1.154   2.837  1.00  0.00           H  
HETATM   71  H   UNK A   1      -4.380  -1.709   1.967  1.00  0.00           H  
HETATM   72  H   UNK A   1      -5.688  -1.244   3.081  1.00  0.00           H  
HETATM   73  H   UNK A   1      -6.668   0.208   1.326  1.00  0.00           H  
HETATM   74  H   UNK A   1      -5.360  -0.257   0.211  1.00  0.00           H  
HETATM   75  H   UNK A   1      -3.575  -0.494   5.798  1.00  0.00           H  
HETATM   76  H   UNK A   1      -7.734  -0.933  -0.871  1.00  0.00           H  
HETATM   77  H   UNK A   1      -8.615  -3.535   0.122  1.00  0.00           H  
HETATM   78  H   UNK A   1      -9.410  -1.889  -2.321  1.00  0.00           H  
HETATM   79  H   UNK A   1     -10.171  -3.427  -1.847  1.00  0.00           H  
HETATM   80  H   UNK A   1     -10.803  -2.441   0.338  1.00  0.00           H  
HETATM   81  H   UNK A   1     -10.042  -0.903  -0.135  1.00  0.00           H  
HETATM   82  H   UNK A   1     -13.572  -0.461  -1.026  1.00  0.00           H  
HETATM   83  H   UNK A   1      -7.447  -5.458  -2.774  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    5    2    6    6                                       
CONECT    4    7    2   51                                            
CONECT    5    9    8    8    3                                       
CONECT    6    3    3   10                                            
CONECT    7   11    9    9    4                                       
CONECT    8    5    5   12                                            
CONECT    9    7    7    5                                            
CONECT   10   12   12    6   13                                       
CONECT   11    7   52   53                                            
CONECT   12    8   10   10   54                                       
CONECT   13   10   14   55   56                                       
CONECT   14   15   13   57                                            
CONECT   15   16   16   17   14                                       
CONECT   16   18   15   15   58                                       
CONECT   17   19   19   15   59                                       
CONECT   18   20   20   16   60                                       
CONECT   19   20   17   17   61                                       
CONECT   20   21   18   18   19                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   62                                            
CONECT   24   25   27   23   63                                       
CONECT   25   26   26   31   24                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   64   65                                       
CONECT   28   27   29   66   67                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   25   68                                                 
CONECT   32   29   33   69                                            
CONECT   33   36   32   34   70                                       
CONECT   34   33   35   35   40                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   71   72                                       
CONECT   37   38   36   73   74                                       
CONECT   38   39   39   41   37                                       
CONECT   39   38   38                                                 
CONECT   40   34   75                                                 
CONECT   41   42   38   76                                            
CONECT   42   43   45   41   77                                       
CONECT   43   44   44   50   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   42   78   79                                       
CONECT   46   47   45   80   81                                       
CONECT   47   48   48   49   46                                       
CONECT   48   47   47                                                 
CONECT   49   47   82                                                 
CONECT   50   43   83                                                 
CONECT   51    4                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82   49                                                      
CONECT   83   50                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
