COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.118  -2.791  -1.080  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.526  -1.753  -0.590  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.849  -1.551  -0.425  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.622  -0.756  -0.185  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.240  -0.634  -0.200  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.058  -1.256  -0.543  1.00  0.00           C  
HETATM    7  C   UNL     1       0.959  -0.434  -0.223  1.00  0.00           C  
HETATM    8  N   UNL     1       0.418   0.721   0.327  1.00  0.00           N  
HETATM    9  C   UNL     1       1.170   1.880   0.814  1.00  0.00           C  
HETATM   10  C   UNL     1       1.264   2.929  -0.296  1.00  0.00           C  
HETATM   11  C   UNL     1       2.111   4.108   0.187  1.00  0.00           C  
HETATM   12  C   UNL     1       2.205   5.157  -0.923  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.946   0.581   0.335  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.072   1.194   0.670  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.115   0.422   0.373  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.486   0.572   0.512  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.033   1.800   1.094  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.315  -0.411   0.115  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.515  -0.266   0.247  1.00  0.00           O  
HETATM   20  C   UNL     1       2.396  -0.711  -0.422  1.00  0.00           C  
HETATM   21  C   UNL     1       3.211  -1.066   0.675  1.00  0.00           C  
HETATM   22  C   UNL     1       2.964  -1.240   2.056  1.00  0.00           C  
HETATM   23  N   UNL     1       4.079  -1.575   2.640  1.00  0.00           N  
HETATM   24  N   UNL     1       5.108  -1.642   1.692  1.00  0.00           N  
HETATM   25  C   UNL     1       4.577  -1.327   0.466  1.00  0.00           C  
HETATM   26  C   UNL     1       5.112  -1.231  -0.816  1.00  0.00           C  
HETATM   27  C   UNL     1       4.306  -0.883  -1.878  1.00  0.00           C  
HETATM   28  C   UNL     1       2.956  -0.630  -1.690  1.00  0.00           C  
HETATM   29  C   UNL     1       2.094  -0.251  -2.867  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.475  -2.239  -0.700  1.00  0.00           H  
HETATM   31  H   UNL     1       0.036  -2.234  -0.990  1.00  0.00           H  
HETATM   32  H   UNL     1       0.659   2.308   1.676  1.00  0.00           H  
HETATM   33  H   UNL     1       2.173   1.567   1.104  1.00  0.00           H  
HETATM   34  H   UNL     1       1.728   2.485  -1.177  1.00  0.00           H  
HETATM   35  H   UNL     1       0.264   3.280  -0.550  1.00  0.00           H  
HETATM   36  H   UNL     1       1.647   4.552   1.068  1.00  0.00           H  
HETATM   37  H   UNL     1       3.111   3.757   0.441  1.00  0.00           H  
HETATM   38  H   UNL     1       1.205   5.508  -1.176  1.00  0.00           H  
HETATM   39  H   UNL     1       2.809   5.997  -0.578  1.00  0.00           H  
HETATM   40  H   UNL     1       2.669   4.713  -1.803  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.217   2.527   0.303  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.970   1.574   1.605  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.320   2.213   1.809  1.00  0.00           H  
HETATM   44  H   UNL     1       2.010  -1.114   2.545  1.00  0.00           H  
HETATM   45  H   UNL     1       6.161  -1.430  -0.979  1.00  0.00           H  
HETATM   46  H   UNL     1       4.729  -0.811  -2.869  1.00  0.00           H  
HETATM   47  H   UNL     1       1.600  -1.140  -3.257  1.00  0.00           H  
HETATM   48  H   UNL     1       1.343   0.472  -2.549  1.00  0.00           H  
HETATM   49  H   UNL     1       2.716   0.191  -3.645  1.00  0.00           H  
HETATM   50  H   UNL     1       6.033  -1.870   1.871  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   18   30                                            
CONECT    4    2    5   15   15                                       
CONECT    5    4    6   13                                            
CONECT    6    5    7    7   31                                       
CONECT    7    6    6   20    8                                       
CONECT    8    7   13    9                                            
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   11   38   39   40                                       
CONECT   13    5   14   14    8                                       
CONECT   14   15   13   13                                            
CONECT   15    4    4   16   14                                       
CONECT   16   18   15   17                                            
CONECT   17   16   41   42   43                                       
CONECT   18    3   19   19   16                                       
CONECT   19   18   18                                                 
CONECT   20   28    7   21   21                                       
CONECT   21   20   20   25   22                                       
CONECT   22   21   23   23   44                                       
CONECT   23   22   22   24                                            
CONECT   24   25   23   50                                            
CONECT   25   26   26   21   24                                       
CONECT   26   27   25   25   45                                       
CONECT   27   28   28   26   46                                       
CONECT   28   29   27   27   20                                       
CONECT   29   28   47   48   49                                       
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   24                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
