COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.923   2.255   0.032  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.013   1.445   0.059  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.745   1.885  -0.008  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.686   1.010   0.020  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.439   1.458  -0.049  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.406   0.647  -0.025  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.319   0.071   0.167  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.321  -0.846   0.200  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.938  -0.375   0.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.866  -1.269   0.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.572  -0.742   0.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.401  -1.633   0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.158  -1.115   0.026  1.00  0.00           C  
HETATM   14  C   UNL     1       0.006  -2.001   0.053  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.147  -3.205   0.142  1.00  0.00           O  
HETATM   16  N   UNL     1       1.249  -1.484  -0.022  1.00  0.00           N  
HETATM   17  C   UNL     1       2.619  -2.017  -0.026  1.00  0.00           C  
HETATM   18  C   UNL     1       1.830  -0.138  -0.140  1.00  0.00           C  
HETATM   19  C   UNL     1       3.041  -0.778  -0.828  1.00  0.00           C  
HETATM   20  C   UNL     1       4.367  -0.192  -0.415  1.00  0.00           C  
HETATM   21  O   UNL     1       4.847  -0.185   0.841  1.00  0.00           O  
HETATM   22  C   UNL     1       6.056   0.409   0.889  1.00  0.00           C  
HETATM   23  C   UNL     1       6.955   0.666   1.917  1.00  0.00           C  
HETATM   24  C   UNL     1       8.143   1.309   1.644  1.00  0.00           C  
HETATM   25  C   UNL     1       5.240   0.391  -1.247  1.00  0.00           C  
HETATM   26  C   UNL     1       5.083   0.586  -2.733  1.00  0.00           C  
HETATM   27  C   UNL     1       6.377   0.811  -0.419  1.00  0.00           C  
HETATM   28  C   UNL     1       7.584   1.459  -0.676  1.00  0.00           C  
HETATM   29  C   UNL     1       8.454   1.704   0.350  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.575   2.837  -0.078  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.409   1.058  -0.083  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.349  -0.249   0.224  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.542  -1.900   0.283  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.030  -2.333   0.232  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.537  -2.701   0.180  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.022  -0.047  -0.053  1.00  0.00           H  
HETATM   37  H   UNL     1       3.069  -2.066   0.965  1.00  0.00           H  
HETATM   38  H   UNL     1       2.720  -2.949  -0.581  1.00  0.00           H  
HETATM   39  H   UNL     1       1.262   0.524  -0.793  1.00  0.00           H  
HETATM   40  H   UNL     1       2.067   0.319   0.821  1.00  0.00           H  
HETATM   41  H   UNL     1       2.934  -0.890  -1.907  1.00  0.00           H  
HETATM   42  H   UNL     1       6.723   0.364   2.928  1.00  0.00           H  
HETATM   43  H   UNL     1       8.840   1.508   2.445  1.00  0.00           H  
HETATM   44  H   UNL     1       4.596   1.542  -2.925  1.00  0.00           H  
HETATM   45  H   UNL     1       6.064   0.577  -3.207  1.00  0.00           H  
HETATM   46  H   UNL     1       4.474  -0.220  -3.143  1.00  0.00           H  
HETATM   47  H   UNL     1       7.833   1.762  -1.682  1.00  0.00           H  
HETATM   48  H   UNL     1       9.389   2.206   0.153  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    7    1    1    3                                       
CONECT    3    2    4   30                                            
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6   11   11    5   31                                       
CONECT    7    8    8    2   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10    4                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12    6    6                                       
CONECT   12   13   13   11   35                                       
CONECT   13   14   12   12   36                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   18   17   14                                            
CONECT   17   19   16   37   38                                       
CONECT   18   19   16   39   40                                       
CONECT   19   20   18   17   41                                       
CONECT   20   25   25   21   19                                       
CONECT   21   22   20                                                 
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   42                                       
CONECT   24   29   23   23   43                                       
CONECT   25   26   27   20   20                                       
CONECT   26   25   44   45   46                                       
CONECT   27   28   25   22   22                                       
CONECT   28   29   29   27   47                                       
CONECT   29   28   28   24   48                                       
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
