COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.681   0.752  -0.388  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.139   1.753   0.152  1.00  0.00           N  
HETATM    3  C   UNL     1       2.075  -0.772  -2.324  1.00  0.00           C  
HETATM    4  C   UNL     1       2.618  -1.711  -1.243  1.00  0.00           C  
HETATM    5  C   UNL     1       2.526  -1.016   0.119  1.00  0.00           C  
HETATM    6  C   UNL     1       4.659  -0.005   0.401  1.00  0.00           C  
HETATM    7  C   UNL     1       5.180  -1.279   0.575  1.00  0.00           C  
HETATM    8  N   UNL     1       0.117   3.040  -0.404  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.925   2.128  -0.257  1.00  0.00           C  
HETATM   10  O   UNL     1       3.341   0.157   0.112  1.00  0.00           O  
HETATM   11  C   UNL     1       6.823   0.935   0.827  1.00  0.00           C  
HETATM   12  C   UNL     1       5.484   1.102   0.527  1.00  0.00           C  
HETATM   13  C   UNL     1       1.071  -0.626   0.389  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.755  -0.116  -0.232  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.007   0.437   0.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.187  -0.444   0.222  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.442   0.108   0.495  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.539  -0.723   0.659  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.391  -2.093   0.553  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.150  -2.643   0.283  1.00  0.00           C  
HETATM   21  C   UNL     1       0.633  -0.389  -1.982  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.050  -1.826   0.112  1.00  0.00           C  
HETATM   23  C   UNL     1       6.520  -1.442   0.869  1.00  0.00           C  
HETATM   24  C   UNL     1       7.342  -0.336   0.989  1.00  0.00           C  
HETATM   25  N   UNL     1       0.598   0.272  -0.672  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.148   2.555   0.008  1.00  0.00           N  
HETATM   27  O   UNL     1      -5.586   1.455   0.600  1.00  0.00           O  
HETATM   28  H   UNL     1       2.690   0.126  -2.368  1.00  0.00           H  
HETATM   29  H   UNL     1       2.098  -1.277  -3.290  1.00  0.00           H  
HETATM   30  H   UNL     1       2.027  -2.627  -1.225  1.00  0.00           H  
HETATM   31  H   UNL     1       3.658  -1.953  -1.460  1.00  0.00           H  
HETATM   32  H   UNL     1       2.872  -1.695   0.898  1.00  0.00           H  
HETATM   33  H   UNL     1       4.538  -2.143   0.482  1.00  0.00           H  
HETATM   34  H   UNL     1       1.014   2.724  -0.599  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.054   3.990  -0.313  1.00  0.00           H  
HETATM   36  H   UNL     1       7.466   1.797   0.921  1.00  0.00           H  
HETATM   37  H   UNL     1       5.081   2.095   0.391  1.00  0.00           H  
HETATM   38  H   UNL     1       0.452  -1.523   0.408  1.00  0.00           H  
HETATM   39  H   UNL     1       1.004  -0.119   1.351  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.625  -1.185  -0.322  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.510  -0.300   0.869  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.247  -2.738   0.681  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.042  -3.714   0.202  1.00  0.00           H  
HETATM   44  H   UNL     1       0.248   0.290  -2.743  1.00  0.00           H  
HETATM   45  H   UNL     1       0.016  -1.287  -1.952  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.084  -2.259  -0.103  1.00  0.00           H  
HETATM   47  H   UNL     1       6.926  -2.433   1.006  1.00  0.00           H  
HETATM   48  H   UNL     1       8.388  -0.465   1.223  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.794   1.894  -0.236  1.00  0.00           H  
CONECT    1   25    9    9   14                                       
CONECT    2   26   26   15                                            
CONECT    3    4   21   28   29                                       
CONECT    4    5    3   30   31                                       
CONECT    5    4   10   13   32                                       
CONECT    6   12   12    7   10                                       
CONECT    7   23   23    6   33                                       
CONECT    8    9   34   35                                            
CONECT    9    8    1    1   26                                       
CONECT   10    6    5                                                 
CONECT   11   24   24   12   36                                       
CONECT   12   11    6    6   37                                       
CONECT   13    5   25   38   39                                       
CONECT   14    1   15   15   40                                       
CONECT   15   14   14    2   16                                       
CONECT   16   15   22   22   17                                       
CONECT   17   16   27   18   18                                       
CONECT   18   17   17   19   41                                       
CONECT   19   20   20   18   42                                       
CONECT   20   22   19   19   43                                       
CONECT   21    3   25   44   45                                       
CONECT   22   16   16   20   46                                       
CONECT   23   24    7    7   47                                       
CONECT   24   11   11   23   48                                       
CONECT   25   13   21    1                                            
CONECT   26    9    2    2                                            
CONECT   27   17   49                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
