COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.057   0.212   0.128  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.677   1.516  -0.135  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.351   1.885  -0.033  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.396   0.945   0.336  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.110  -0.724   0.502  1.00  0.00           C  
HETATM    6  C   UNL     1       2.862  -1.353  -0.522  1.00  0.00           C  
HETATM    7  C   UNL     1       6.871   0.084  -0.413  1.00  0.00           C  
HETATM    8  C   UNL     1       6.609   1.130  -1.499  1.00  0.00           C  
HETATM    9  O   UNL     1       7.307   0.737   0.781  1.00  0.00           O  
HETATM   10  C   UNL     1       5.582  -0.690  -0.129  1.00  0.00           C  
HETATM   11  C   UNL     1       5.811  -1.649   1.041  1.00  0.00           C  
HETATM   12  N   UNL     1       4.512   0.251   0.212  1.00  0.00           N  
HETATM   13  C   UNL     1       3.188  -0.103   0.008  1.00  0.00           C  
HETATM   14  N   UNL     1       2.210   0.743   0.313  1.00  0.00           N  
HETATM   15  C   UNL     1       1.530  -1.660  -0.715  1.00  0.00           C  
HETATM   16  N   UNL     1       0.606  -0.766  -0.393  1.00  0.00           N  
HETATM   17  C   UNL     1       0.943   0.408   0.118  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.052   1.315   0.442  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.781  -0.363   0.601  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.751  -0.254  -0.004  1.00  0.00           S  
HETATM   21  O   UNL     1      -5.916  -1.401   0.819  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.509   0.936   0.161  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.001  -0.756  -1.562  1.00  0.00           N  
HETATM   24  H   UNL     1      -4.420   2.246  -0.422  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.055   2.903  -0.239  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.410  -1.740   0.711  1.00  0.00           H  
HETATM   27  H   UNL     1       3.635  -2.062  -0.780  1.00  0.00           H  
HETATM   28  H   UNL     1       7.643  -0.607  -0.752  1.00  0.00           H  
HETATM   29  H   UNL     1       7.527   1.681  -1.701  1.00  0.00           H  
HETATM   30  H   UNL     1       6.276   0.632  -2.410  1.00  0.00           H  
HETATM   31  H   UNL     1       5.837   1.821  -1.160  1.00  0.00           H  
HETATM   32  H   UNL     1       6.669   1.368   1.140  1.00  0.00           H  
HETATM   33  H   UNL     1       5.298  -1.259  -1.014  1.00  0.00           H  
HETATM   34  H   UNL     1       6.095  -1.080   1.927  1.00  0.00           H  
HETATM   35  H   UNL     1       4.893  -2.200   1.244  1.00  0.00           H  
HETATM   36  H   UNL     1       6.607  -2.349   0.788  1.00  0.00           H  
HETATM   37  H   UNL     1       4.731   1.121   0.580  1.00  0.00           H  
HETATM   38  H   UNL     1       1.243  -2.618  -1.123  1.00  0.00           H  
HETATM   39  H   UNL     1       0.183   2.207   0.741  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.042  -1.095   0.892  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.267  -0.750  -2.197  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.880  -1.057  -1.839  1.00  0.00           H  
CONECT    1    5   20    2    2                                       
CONECT    2    1    1    3   24                                       
CONECT    3    4    4    2   25                                       
CONECT    4   19   18    3    3                                       
CONECT    5   19   19    1   26                                       
CONECT    6   15   15   13   27                                       
CONECT    7   10    9    8   28                                       
CONECT    8    7   29   30   31                                       
CONECT    9    7   32                                                 
CONECT   10   11   12    7   33                                       
CONECT   11   10   34   35   36                                       
CONECT   12   13   10   37                                            
CONECT   13   14   14    6   12                                       
CONECT   14   17   13   13                                            
CONECT   15   16    6    6   38                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   14                                       
CONECT   18    4   17   39                                            
CONECT   19    5    5    4   40                                       
CONECT   20   22   22    1   23                                       
CONECT   20   21   21                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   41   42                                            
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
