COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.616  -0.073   0.289  1.00  0.00           N  
HETATM    2  C   UNL     1       3.644   1.089  -0.387  1.00  0.00           C  
HETATM    3  N   UNL     1       2.517   1.769  -0.670  1.00  0.00           N  
HETATM    4  C   UNL     1       1.288   1.275  -0.263  1.00  0.00           C  
HETATM    5  C   UNL     1       1.247   0.074   0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       2.448  -0.605   0.706  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.091  -0.173   0.712  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.797   0.861   0.182  1.00  0.00           C  
HETATM    9  N   UNL     1       0.033   1.709  -0.391  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.165   1.001   0.236  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.577   1.604  -1.037  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.083   1.871  -1.016  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.397   2.818   0.063  1.00  0.00           N1+
HETATM   14  C   UNL     1      -3.951   2.258   1.346  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.447   1.985   1.288  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.638  -1.324   1.434  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.066  -2.379   0.447  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.356  -2.378  -0.050  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.748  -3.343  -0.959  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.852  -4.314  -1.365  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.563  -4.318  -0.865  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.170  -3.351   0.041  1.00  0.00           C  
HETATM   23  O   UNL     1       2.436  -1.663   1.312  1.00  0.00           O  
HETATM   24  C   UNL     1       4.870  -0.774   0.571  1.00  0.00           C  
HETATM   25  O   UNL     1       4.714   1.536  -0.752  1.00  0.00           O  
HETATM   26  C   UNL     1       2.590   3.031  -1.409  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.044   2.543  -1.183  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.341   0.922  -1.854  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.391   2.294  -1.972  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.616   0.935  -0.844  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.921   3.691  -0.107  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.393   2.977   0.092  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.161   2.969   2.145  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.483   1.326   1.541  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.112   1.595   2.249  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.918   2.912   1.069  1.00  0.00           H  
HETATM   37  H   UNL     1       0.126  -1.734   2.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.498  -1.009   2.025  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.056  -1.619   0.268  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.755  -3.339  -1.350  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.159  -5.069  -2.073  1.00  0.00           H  
HETATM   42  H   UNL     1       0.137  -5.077  -1.182  1.00  0.00           H  
HETATM   43  H   UNL     1       0.836  -3.354   0.432  1.00  0.00           H  
HETATM   44  H   UNL     1       5.705  -0.207   0.159  1.00  0.00           H  
HETATM   45  H   UNL     1       4.996  -0.875   1.649  1.00  0.00           H  
HETATM   46  H   UNL     1       4.844  -1.764   0.114  1.00  0.00           H  
HETATM   47  H   UNL     1       3.631   3.256  -1.643  1.00  0.00           H  
HETATM   48  H   UNL     1       2.021   2.944  -2.335  1.00  0.00           H  
HETATM   49  H   UNL     1       2.173   3.833  -0.801  1.00  0.00           H  
CONECT    1    2    6   24                                            
CONECT    2    1    3   25   25                                       
CONECT    3    2    4   26                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    5   23   23                                       
CONECT    7    5    8   16                                            
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8                                            
CONECT   10    8   11   15                                            
CONECT   11   10   12   27   28                                       
CONECT   12   11   13   29   30                                       
CONECT   13   12   14   31   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   10   14   35   36                                       
CONECT   16    7   17   37   38                                       
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   17   17   21   43                                       
CONECT   23    6    6                                                 
CONECT   24    1   44   45   46                                       
CONECT   25    2    2                                                 
CONECT   26    3   47   48   49                                       
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
