COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.455   1.225  -1.250  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.736   0.464  -1.423  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.221   0.292  -2.661  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.431  -0.064  -0.362  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.932   0.117   1.004  1.00  0.00           C  
HETATM    6  C   UNL     1       0.058   2.389   0.356  1.00  0.00           C  
HETATM    7  C   UNL     1       2.379   1.709  -0.116  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.870  -1.610   0.791  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.541  -0.442   0.800  1.00  0.00           C  
HETATM   10  C   UNL     1       0.824  -0.032   0.444  1.00  0.00           C  
HETATM   11  C   UNL     1       1.821  -1.005   0.326  1.00  0.00           C  
HETATM   12  O   UNL     1       1.531  -2.309   0.544  1.00  0.00           O  
HETATM   13  C   UNL     1       3.127  -0.616  -0.021  1.00  0.00           C  
HETATM   14  C   UNL     1       4.161  -1.564  -0.148  1.00  0.00           C  
HETATM   15  O   UNL     1       3.914  -2.881   0.071  1.00  0.00           O  
HETATM   16  C   UNL     1       5.427  -1.143  -0.496  1.00  0.00           C  
HETATM   17  C   UNL     1       5.690   0.204  -0.720  1.00  0.00           C  
HETATM   18  C   UNL     1       4.708   1.141  -0.602  1.00  0.00           C  
HETATM   19  C   UNL     1       3.406   0.754  -0.248  1.00  0.00           C  
HETATM   20  C   UNL     1       2.680   3.166  -0.353  1.00  0.00           C  
HETATM   21  C   UNL     1       1.119   1.328   0.224  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.524   0.647   1.177  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.624  -0.148   1.965  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.306   1.089   2.519  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.336   1.793   0.164  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.676  -0.811  -0.598  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.752  -0.273  -0.418  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.625  -2.092  -1.013  1.00  0.00           N  
HETATM   29  H   UNL     1      -0.614   0.558  -1.440  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.427   2.046  -1.968  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.006  -0.266  -2.751  1.00  0.00           H  
HETATM   32  H   UNL     1       0.122   2.839   1.347  1.00  0.00           H  
HETATM   33  H   UNL     1       0.225   3.159  -0.398  1.00  0.00           H  
HETATM   34  H   UNL     1       1.249  -2.787  -0.247  1.00  0.00           H  
HETATM   35  H   UNL     1       3.642  -3.366  -0.720  1.00  0.00           H  
HETATM   36  H   UNL     1       6.223  -1.867  -0.595  1.00  0.00           H  
HETATM   37  H   UNL     1       6.688   0.512  -0.993  1.00  0.00           H  
HETATM   38  H   UNL     1       4.932   2.183  -0.781  1.00  0.00           H  
HETATM   39  H   UNL     1       2.520   3.404  -1.405  1.00  0.00           H  
HETATM   40  H   UNL     1       2.021   3.778   0.263  1.00  0.00           H  
HETATM   41  H   UNL     1       3.718   3.370  -0.089  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.420   0.397   3.184  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.091   2.564   0.316  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.770  -2.544  -1.087  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.444  -2.562  -1.238  1.00  0.00           H  
CONECT    1    2   25   29   30                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   31                                                 
CONECT    4    2    2    5   26                                       
CONECT    5    4   22   23   23                                       
CONECT    6   21   25   32   33                                       
CONECT    7   19   19   20   21                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   22                                       
CONECT   10    9   11   21   21                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   34                                                 
CONECT   13   11   11   14   19                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   35                                                 
CONECT   16   14   14   17   36                                       
CONECT   17   16   18   18   37                                       
CONECT   18   17   17   19   38                                       
CONECT   19    7    7   13   18                                       
CONECT   20    7   39   40   41                                       
CONECT   21    6    7   10   10                                       
CONECT   22    5    9   24   25                                       
CONECT   23    5    5                                                 
CONECT   24   22   42                                                 
CONECT   25    1    6   22   43                                       
CONECT   26    4   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   44   45                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
