COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.806   0.135  -0.038  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.141   0.741   1.287  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.144  -0.023  -1.060  1.00  0.00           O  
HETATM    4  S   UNL     1      -5.499  -0.305   0.174  1.00  0.00           S  
HETATM    5  C   UNL     1      -2.837  -0.444   0.761  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.507  -1.590   0.780  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.509  -0.102   0.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.147   0.825  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.122   1.405  -1.172  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.448   1.054  -1.007  1.00  0.00           C  
HETATM   11  N   UNL     1       0.197   1.175  -0.539  1.00  0.00           N  
HETATM   12  C   UNL     1       1.163   0.258  -0.329  1.00  0.00           C  
HETATM   13  O   UNL     1       0.864  -0.896  -0.088  1.00  0.00           O  
HETATM   14  N   UNL     1       2.460   0.621  -0.387  1.00  0.00           N  
HETATM   15  C   UNL     1       3.463  -0.350  -0.282  1.00  0.00           C  
HETATM   16  C   UNL     1       4.739   0.010   0.133  1.00  0.00           C  
HETATM   17  C   UNL     1       5.726  -0.950   0.235  1.00  0.00           C  
HETATM   18  C   UNL     1       5.446  -2.268  -0.076  1.00  0.00           C  
HETATM   19  C   UNL     1       4.177  -2.629  -0.489  1.00  0.00           C  
HETATM   20  C   UNL     1       3.183  -1.675  -0.588  1.00  0.00           C  
HETATM   21  C   UNL     1       5.045   1.446   0.471  1.00  0.00           C  
HETATM   22  C   UNL     1       5.624   1.525   1.885  1.00  0.00           C  
HETATM   23  C   UNL     1       6.063   1.999  -0.529  1.00  0.00           C  
HETATM   24  H   UNL     1      -5.585   1.431   1.681  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.120  -1.165   1.515  1.00  0.00           H  
HETATM   26  H   UNL     1       6.718  -0.671   0.558  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.753  -0.554   1.222  1.00  0.00           H  
HETATM   28  H   UNL     1       6.220  -3.017   0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       3.961  -3.659  -0.732  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.844   2.126  -1.926  1.00  0.00           H  
HETATM   31  H   UNL     1       2.192  -1.957  -0.911  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.207   1.505  -1.630  1.00  0.00           H  
HETATM   33  H   UNL     1       4.129   2.035   0.420  1.00  0.00           H  
HETATM   34  H   UNL     1       0.434   2.076  -0.807  1.00  0.00           H  
HETATM   35  H   UNL     1       4.899   1.131   2.597  1.00  0.00           H  
HETATM   36  H   UNL     1       6.540   0.936   1.936  1.00  0.00           H  
HETATM   37  H   UNL     1       5.846   2.564   2.129  1.00  0.00           H  
HETATM   38  H   UNL     1       6.979   1.411  -0.478  1.00  0.00           H  
HETATM   39  H   UNL     1       5.650   1.943  -1.536  1.00  0.00           H  
HETATM   40  H   UNL     1       6.284   3.038  -0.284  1.00  0.00           H  
HETATM   41  H   UNL     1       2.698   1.554  -0.500  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.073   0.663   1.543  1.00  0.00           H  
CONECT    1    5    5   10    4                                       
CONECT    2   24    4   42                                            
CONECT    3    4    4                                                 
CONECT    4    1    2    3    3                                       
CONECT    4    6    6                                                 
CONECT    5    1    1    7   25                                       
CONECT    6    4    4                                                 
CONECT    7    5   27    8    8                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   30   10   10                                       
CONECT   10    1    9    9   32                                       
CONECT   11    8   12   34                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   41                                            
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   26                                       
CONECT   18   17   19   19   28                                       
CONECT   19   18   18   29   20                                       
CONECT   20   15   15   19   31                                       
CONECT   21   16   33   22   23                                       
CONECT   22   21   37   35   36                                       
CONECT   23   21   40   39   38                                       
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26   17                                                      
CONECT   27    7                                                      
CONECT   28   18                                                      
CONECT   29   19                                                      
CONECT   30    9                                                      
CONECT   31   20                                                      
CONECT   32   10                                                      
CONECT   33   21                                                      
CONECT   34   11                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   14                                                      
CONECT   42    2                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
