COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.850  -0.347  -0.571  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.880  -1.125   0.292  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.236  -1.832   2.125  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.077  -3.379   0.725  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.201   4.225  -0.671  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.247   5.100  -0.892  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.526   4.738  -0.494  1.00  0.00           C  
HETATM    8  C   UNL     1       7.734  -0.734   0.814  1.00  0.00           C  
HETATM    9  O   UNL     1       6.678   0.012   1.422  1.00  0.00           O  
HETATM   10  C   UNL     1       5.425  -0.184   0.937  1.00  0.00           C  
HETATM   11  C   UNL     1       4.354   0.511   1.483  1.00  0.00           C  
HETATM   12  C   UNL     1       3.080   0.314   0.993  1.00  0.00           C  
HETATM   13  C   UNL     1       5.219  -1.073  -0.109  1.00  0.00           C  
HETATM   14  C   UNL     1       3.948  -1.275  -0.604  1.00  0.00           C  
HETATM   15  C   UNL     1       2.869  -0.584  -0.053  1.00  0.00           C  
HETATM   16  C   UNL     1       1.501  -0.798  -0.583  1.00  0.00           C  
HETATM   17  C   UNL     1       0.418  -0.112  -0.039  1.00  0.00           C  
HETATM   18  N   UNL     1       1.291  -1.650  -1.587  1.00  0.00           N  
HETATM   19  C   UNL     1       0.072  -1.850  -2.061  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.107  -2.743  -3.104  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.982  -1.215  -1.569  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.957   0.312  -0.062  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.789   1.342   0.966  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.607   2.685   0.307  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.407   3.059  -0.090  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.703   3.505   0.114  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.297  -0.021  -0.552  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.594  -2.381   0.011  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.917  -3.141   1.796  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.705  -0.809   1.355  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.884  -1.616   2.962  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.823  -4.396   0.461  1.00  0.00           H  
HETATM   33  H   UNL     1       0.797   4.497  -0.983  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.072   6.053  -1.369  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.363   5.402  -0.653  1.00  0.00           H  
HETATM   36  H   UNL     1       8.680  -0.484   1.295  1.00  0.00           H  
HETATM   37  H   UNL     1       7.538  -1.801   0.930  1.00  0.00           H  
HETATM   38  H   UNL     1       7.789  -0.488  -0.246  1.00  0.00           H  
HETATM   39  H   UNL     1       4.518   1.206   2.294  1.00  0.00           H  
HETATM   40  H   UNL     1       2.248   0.854   1.419  1.00  0.00           H  
HETATM   41  H   UNL     1       6.054  -1.608  -0.535  1.00  0.00           H  
HETATM   42  H   UNL     1       3.788  -1.967  -1.418  1.00  0.00           H  
HETATM   43  H   UNL     1       0.556   0.585   0.775  1.00  0.00           H  
HETATM   44  H   UNL     1       0.655  -3.212  -3.477  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.995  -2.899  -3.462  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.673   1.367   1.604  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.911   1.112   1.571  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.685   3.191   0.438  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.233  -0.352  -1.589  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.936   0.859  -0.490  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.319  -3.963   2.369  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.932   0.221   1.584  1.00  0.00           H  
CONECT    1   21   21   17   22                                       
CONECT    2   27   28   28   30                                       
CONECT    3   30   30   29   31                                       
CONECT    4   28   29   29   32                                       
CONECT    5    6    6   25   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7   26   26    6   35                                       
CONECT    8    9   36   37   38                                       
CONECT    9    8   10                                                 
CONECT   10   13    9   11   11                                       
CONECT   11   10   10   12   39                                       
CONECT   12   15   15   11   40                                       
CONECT   13   14   14   10   41                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   12   12                                       
CONECT   16   18   15   17   17                                       
CONECT   17   16   16    1   43                                       
CONECT   18   19   19   16                                            
CONECT   19   20   18   18   21                                       
CONECT   20   19   44   45                                            
CONECT   21   19    1    1                                            
CONECT   22    1   23   27                                            
CONECT   23   24   22   46   47                                       
CONECT   24   26   23   25   25                                       
CONECT   25   24   24    5                                            
CONECT   26    7    7   24   48                                       
CONECT   27   22    2   49   50                                       
CONECT   28    2    2    4                                            
CONECT   29    4    4    3   51                                       
CONECT   30    2    3    3   52                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
