COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.349   3.374  -0.450  1.00  0.00           C  
HETATM    2  O   UNL     1       1.526   2.209  -0.361  1.00  0.00           O  
HETATM    3  C   UNL     1       2.158   1.018  -0.206  1.00  0.00           C  
HETATM    4  C   UNL     1       3.539   0.969  -0.140  1.00  0.00           C  
HETATM    5  C   UNL     1       4.182  -0.257   0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       3.435  -1.433   0.114  1.00  0.00           C  
HETATM    7  C   UNL     1       2.072  -1.391   0.049  1.00  0.00           C  
HETATM    8  C   UNL     1       1.414  -0.168  -0.106  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.057  -0.123  -0.169  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.628   0.942  -0.309  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.770  -1.263  -0.073  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.167  -1.212  -0.022  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.921  -2.229  -0.591  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.301  -2.178  -0.540  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.925  -1.111   0.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.438  -1.054   0.138  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.909   0.088  -0.769  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.895   1.356  -0.062  1.00  0.00           N1+
HETATM   19  C   UNL     1      -5.579   1.891   0.238  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.880   1.061   1.319  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.181  -0.102   0.644  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.802  -0.145   0.603  1.00  0.00           C  
HETATM   23  C   UNL     1       5.662  -0.313   0.092  1.00  0.00           C  
HETATM   24  C   UNL     1       6.542   0.785   0.013  1.00  0.00           C  
HETATM   25  N   UNL     1       7.763   0.334   0.116  1.00  0.00           N  
HETATM   26  N   UNL     1       7.714  -1.057   0.262  1.00  0.00           N  
HETATM   27  C   UNL     1       6.421  -1.437   0.252  1.00  0.00           C  
HETATM   28  H   UNL     1      -7.393   2.034  -0.618  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.394   1.239   0.807  1.00  0.00           H  
HETATM   30  H   UNL     1       8.478  -1.646   0.359  1.00  0.00           H  
HETATM   31  H   UNL     1       3.017   3.283  -1.307  1.00  0.00           H  
HETATM   32  H   UNL     1       1.719   4.255  -0.572  1.00  0.00           H  
HETATM   33  H   UNL     1       2.939   3.472   0.462  1.00  0.00           H  
HETATM   34  H   UNL     1       4.118   1.878  -0.212  1.00  0.00           H  
HETATM   35  H   UNL     1       3.938  -2.381   0.237  1.00  0.00           H  
HETATM   36  H   UNL     1       1.501  -2.305   0.121  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.315  -2.119  -0.039  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.429  -3.061  -1.074  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.890  -2.968  -0.982  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.856  -1.997  -0.212  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.760  -0.866   1.162  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.249   0.153  -1.634  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.923  -0.121  -1.109  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.974   1.882  -0.668  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.682   2.919   0.587  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.147   1.677   1.840  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.617   0.685   2.029  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.220   0.648   1.051  1.00  0.00           H  
HETATM   49  H   UNL     1       6.256   1.819  -0.111  1.00  0.00           H  
HETATM   50  H   UNL     1       6.052  -2.447   0.349  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6   23                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   37                                            
CONECT   12   11   13   13   22                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   16   21                                       
CONECT   16   15   17   40   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   17   19   28   29                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21   15   20   22   22                                       
CONECT   22   12   21   21   48                                       
CONECT   23    5   24   27   27                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   30                                            
CONECT   27   23   23   26   50                                       
CONECT   28   18                                                      
CONECT   29   18                                                      
CONECT   30   26                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
