COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.784  -1.527   1.015  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.752   1.189  -1.413  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.394   2.299  -1.665  1.00  0.00           N  
HETATM    4  C   UNL     1       0.380  -1.903  -0.524  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.922  -2.554   0.837  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.819  -3.427   0.889  1.00  0.00           C  
HETATM    7  C   UNL     1       3.708   1.734   1.203  1.00  0.00           C  
HETATM    8  C   UNL     1       0.315  -3.101   0.215  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.828  -1.393   0.108  1.00  0.00           N  
HETATM   10  C   UNL     1       5.460   0.842  -2.379  1.00  0.00           C  
HETATM   11  C   UNL     1       2.641   2.415   3.591  1.00  0.00           C  
HETATM   12  O   UNL     1       2.005   1.388   2.827  1.00  0.00           O  
HETATM   13  C   UNL     1       2.568   1.070   1.630  1.00  0.00           C  
HETATM   14  C   UNL     1       2.001   0.083   0.839  1.00  0.00           C  
HETATM   15  C   UNL     1       4.283   1.414  -0.014  1.00  0.00           C  
HETATM   16  C   UNL     1       3.724   0.426  -0.806  1.00  0.00           C  
HETATM   17  O   UNL     1       4.291   0.112  -2.003  1.00  0.00           O  
HETATM   18  C   UNL     1       2.575  -0.240  -0.382  1.00  0.00           C  
HETATM   19  S   UNL     1       1.858  -1.493  -1.391  1.00  0.00           S  
HETATM   20  N   UNL     1      -3.135  -2.581   1.367  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.648  -1.086  -0.572  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.030  -0.766   0.244  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.418   0.528  -0.360  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.487   1.299  -0.001  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.482   2.394  -0.789  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.455   3.489  -0.743  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.869   0.838  -1.924  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.873  -4.344   1.457  1.00  0.00           H  
HETATM   29  H   UNL     1       4.145   2.506   1.819  1.00  0.00           H  
HETATM   30  H   UNL     1       1.169  -3.761   0.246  1.00  0.00           H  
HETATM   31  H   UNL     1       6.241   0.685  -1.635  1.00  0.00           H  
HETATM   32  H   UNL     1       5.809   0.494  -3.351  1.00  0.00           H  
HETATM   33  H   UNL     1       5.222   1.904  -2.437  1.00  0.00           H  
HETATM   34  H   UNL     1       3.665   2.117   3.818  1.00  0.00           H  
HETATM   35  H   UNL     1       2.651   3.341   3.017  1.00  0.00           H  
HETATM   36  H   UNL     1       2.093   2.569   4.520  1.00  0.00           H  
HETATM   37  H   UNL     1       1.113  -0.434   1.172  1.00  0.00           H  
HETATM   38  H   UNL     1       5.168   1.936  -0.346  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.202   1.076   0.777  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.110   4.252  -0.046  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.558   3.925  -1.737  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.420   3.105  -0.413  1.00  0.00           H  
CONECT    1   20   22   22                                            
CONECT    2   23    3    3   27                                       
CONECT    3   25    2    2                                            
CONECT    4   19    8   21   21                                       
CONECT    5    6    9   20   20                                       
CONECT    6    8    8    5   28                                       
CONECT    7   13   13   15   29                                       
CONECT    8    4    6    6   30                                       
CONECT    9   21    5   22                                            
CONECT   10   17   31   32   33                                       
CONECT   11   12   34   35   36                                       
CONECT   12   11   13                                                 
CONECT   13   14   12    7    7                                       
CONECT   14   18   18   13   37                                       
CONECT   15   16   16    7   38                                       
CONECT   16   18   17   15   15                                       
CONECT   17   16   10                                                 
CONECT   18   19   14   14   16                                       
CONECT   19   18    4                                                 
CONECT   20    5    5    1                                            
CONECT   21    4    4    9                                            
CONECT   22    9    1    1   23                                       
CONECT   23   22   24   24    2                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   26    3                                            
CONECT   26   25   40   41   42                                       
CONECT   27    2                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
