COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.949   0.113  -0.095  1.00  0.00           C  
HETATM    2  C   UNL     1       6.267   0.030   0.648  1.00  0.00           C  
HETATM    3  C   UNL     1       6.551   1.395   1.282  1.00  0.00           C  
HETATM    4  C   UNL     1       4.003  -0.840   0.033  1.00  0.00           C  
HETATM    5  C   UNL     1       4.208   1.182  -2.177  1.00  0.00           C  
HETATM    6  C   UNL     1       2.742  -0.725  -0.702  1.00  0.00           C  
HETATM    7  C   UNL     1       1.807  -1.666  -0.575  1.00  0.00           C  
HETATM    8  C   UNL     1       0.497  -1.602  -1.302  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.595  -1.629  -0.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.538  -2.985   0.470  1.00  0.00           C  
HETATM   11  C   UNL     1       0.790  -3.068   1.241  1.00  0.00           C  
HETATM   12  C   UNL     1       6.579   2.474   0.198  1.00  0.00           C  
HETATM   13  C   UNL     1       5.183   2.632  -0.413  1.00  0.00           C  
HETATM   14  C   UNL     1       4.747   1.292  -0.963  1.00  0.00           C  
HETATM   15  O   UNL     1       7.816   1.357   1.946  1.00  0.00           O  
HETATM   16  C   UNL     1       1.997  -2.888   0.314  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.861  -1.246  -0.946  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.383  -0.317  -2.093  1.00  0.00           C  
HETATM   19  C   UNL     1       0.169  -0.286  -2.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.822  -0.498  -0.021  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.087  -0.122  -0.795  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.195  -1.395   1.161  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.033   0.615   0.116  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.190   0.689   0.463  1.00  0.00           O  
HETATM   25  N   UNL     1      -6.221   1.047  -0.352  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.141   1.764   0.534  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.062   2.657  -0.301  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.983   0.756   1.318  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.282  -0.554   0.848  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.727   0.821   1.272  1.00  0.00           O  
HETATM   31  H   UNL     1       6.203  -0.730   1.426  1.00  0.00           H  
HETATM   32  H   UNL     1       7.066  -0.225  -0.049  1.00  0.00           H  
HETATM   33  H   UNL     1       5.769   1.629   2.004  1.00  0.00           H  
HETATM   34  H   UNL     1       4.177  -1.689   0.678  1.00  0.00           H  
HETATM   35  H   UNL     1       3.907   0.214  -2.548  1.00  0.00           H  
HETATM   36  H   UNL     1       4.073   2.061  -2.789  1.00  0.00           H  
HETATM   37  H   UNL     1       2.569   0.124  -1.347  1.00  0.00           H  
HETATM   38  H   UNL     1       0.393  -2.445  -1.984  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.374  -3.094   1.160  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.577  -3.769  -0.286  1.00  0.00           H  
HETATM   41  H   UNL     1       0.806  -2.290   2.005  1.00  0.00           H  
HETATM   42  H   UNL     1       0.859  -4.041   1.726  1.00  0.00           H  
HETATM   43  H   UNL     1       6.892   3.422   0.635  1.00  0.00           H  
HETATM   44  H   UNL     1       7.284   2.184  -0.580  1.00  0.00           H  
HETATM   45  H   UNL     1       4.480   2.955   0.355  1.00  0.00           H  
HETATM   46  H   UNL     1       5.214   3.368  -1.215  1.00  0.00           H  
HETATM   47  H   UNL     1       7.870   0.698   2.651  1.00  0.00           H  
HETATM   48  H   UNL     1       2.108  -3.777  -0.307  1.00  0.00           H  
HETATM   49  H   UNL     1       2.895  -2.756   0.916  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.342  -2.135  -1.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.700  -0.718  -3.056  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.785   0.686  -1.954  1.00  0.00           H  
HETATM   53  H   UNL     1       0.509   0.566  -1.423  1.00  0.00           H  
HETATM   54  H   UNL     1       0.608  -0.266  -3.010  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.821   0.517  -1.637  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.569  -1.027  -1.164  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.293  -1.662   1.713  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.879  -0.861   1.820  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.677  -2.300   0.792  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.925   1.306  -0.233  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.466   0.883  -1.276  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.571   2.380   1.229  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.632   2.041  -0.996  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.746   3.190   0.358  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.462   3.375  -0.860  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.328   0.120   1.913  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.668   1.289   1.978  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.554   0.140   0.623  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.056  -0.555   1.615  1.00  0.00           H  
HETATM   70  H   UNL     1       0.685  -0.764   1.307  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.250   0.422   0.365  1.00  0.00           H  
CONECT    1   14    2    4    4                                       
CONECT    2    1    3   31   32                                       
CONECT    3   12    2   15   33                                       
CONECT    4    1    1    6   34                                       
CONECT    5   14   14   35   36                                       
CONECT    6    4    7    7   37                                       
CONECT    7   16    6    6    8                                       
CONECT    8    9    7   19   38                                       
CONECT    9   29   10   17    8                                       
CONECT   10   11    9   39   40                                       
CONECT   11   10   16   41   42                                       
CONECT   12   13    3   43   44                                       
CONECT   13   14   12   45   46                                       
CONECT   14    5    5    1   13                                       
CONECT   15    3   47                                                 
CONECT   16   11    7   48   49                                       
CONECT   17   20    9   18   50                                       
CONECT   18   17   19   51   52                                       
CONECT   19    8   18   53   54                                       
CONECT   20   24   21   22   17                                       
CONECT   21   23   20   55   56                                       
CONECT   22   20   57   58   59                                       
CONECT   23   25   30   30   21                                       
CONECT   24   20   60                                                 
CONECT   25   26   23   61                                            
CONECT   26   27   28   25   62                                       
CONECT   27   26   63   64   65                                       
CONECT   28   26   66   67   68                                       
CONECT   29    9   69   70   71                                       
CONECT   30   23   23                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
