COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.815   2.047  -1.219  1.00  0.00           O  
HETATM    2  C   UNL     1       4.947   2.619  -0.590  1.00  0.00           C  
HETATM    3  N   UNL     1       5.217   3.781   0.037  1.00  0.00           N  
HETATM    4  N   UNL     1       4.248   4.469   0.769  1.00  0.00           N  
HETATM    5  C   UNL     1       2.987   4.011   0.890  1.00  0.00           C  
HETATM    6  O   UNL     1       2.168   4.636   1.535  1.00  0.00           O  
HETATM    7  C   UNL     1       2.607   2.742   0.232  1.00  0.00           C  
HETATM    8  C   UNL     1       1.322   2.232   0.329  1.00  0.00           C  
HETATM    9  C   UNL     1       1.008   1.030  -0.309  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.265   0.518  -0.217  1.00  0.00           N1+
HETATM   11  N   UNL     1      -1.362   1.191  -0.265  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.417   0.384  -0.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.825   0.821  -0.159  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.809  -0.083  -0.030  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.217   0.354  -0.044  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.244  -0.583   0.091  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.559  -0.167   0.077  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.862   1.175  -0.069  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.850   2.109  -0.202  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.530   1.709  -0.185  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.011  -0.866  -0.013  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.606  -0.836  -0.059  1.00  0.00           N  
HETATM   23  C   UNL     1       0.264  -1.918   0.039  1.00  0.00           C  
HETATM   24  N   UNL     1       1.575  -1.926  -0.006  1.00  0.00           N  
HETATM   25  C   UNL     1       2.299  -3.059   0.109  1.00  0.00           C  
HETATM   26  C   UNL     1       3.706  -3.203   0.083  1.00  0.00           C  
HETATM   27  C   UNL     1       4.285  -4.439   0.208  1.00  0.00           C  
HETATM   28  C   UNL     1       3.520  -5.586   0.364  1.00  0.00           C  
HETATM   29  C   UNL     1       2.141  -5.482   0.395  1.00  0.00           C  
HETATM   30  C   UNL     1       1.552  -4.249   0.270  1.00  0.00           C  
HETATM   31  S   UNL     1      -0.121  -3.650   0.252  1.00  0.00           S  
HETATM   32  C   UNL     1       1.982   0.347  -1.039  1.00  0.00           C  
HETATM   33  C   UNL     1       3.263   0.851  -1.139  1.00  0.00           C  
HETATM   34  C   UNL     1       3.584   2.049  -0.513  1.00  0.00           C  
HETATM   35  H   UNL     1       6.112   4.150  -0.023  1.00  0.00           H  
HETATM   36  H   UNL     1       4.490   5.302   1.203  1.00  0.00           H  
HETATM   37  H   UNL     1       0.569   2.760   0.895  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.064   1.868  -0.273  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.570  -1.129   0.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.009  -1.631   0.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.354  -0.891   0.181  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.893   1.495  -0.079  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.094   3.155  -0.315  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.741   2.439  -0.289  1.00  0.00           H  
HETATM   45  H   UNL     1       4.330  -2.330  -0.037  1.00  0.00           H  
HETATM   46  H   UNL     1       5.361  -4.521   0.184  1.00  0.00           H  
HETATM   47  H   UNL     1       3.997  -6.550   0.462  1.00  0.00           H  
HETATM   48  H   UNL     1       1.533  -6.366   0.517  1.00  0.00           H  
HETATM   49  H   UNL     1       1.731  -0.582  -1.529  1.00  0.00           H  
HETATM   50  H   UNL     1       4.013   0.318  -1.705  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   34                                       
CONECT    3    2    4   35                                            
CONECT    4    3    5   36                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   34   34                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   22                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   21   21                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   15   19   19   44                                       
CONECT   21   12   12   22                                            
CONECT   22   10   21   23                                            
CONECT   23   22   24   24   31                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   45                                       
CONECT   27   26   28   28   46                                       
CONECT   28   27   27   29   47                                       
CONECT   29   28   30   30   48                                       
CONECT   30   25   29   29   31                                       
CONECT   31   23   30                                                 
CONECT   32    9   33   33   49                                       
CONECT   33   32   32   34   50                                       
CONECT   34    2    7    7   33                                       
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   32                                                      
CONECT   50   33                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
