COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.512   2.679   1.498  1.00  0.00           C  
HETATM    2  C   UNL     1       3.935  -0.149  -0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       2.766   0.586  -0.036  1.00  0.00           C  
HETATM    4  C   UNL     1       1.526  -0.072  -0.019  1.00  0.00           C  
HETATM    5  C   UNL     1       0.063  -1.879   0.021  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.023  -2.448   0.038  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.537  -0.959   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.597   0.112   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.088   0.580  -1.203  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.563   0.018  -2.500  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.542   2.076  -0.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.084   0.622   1.191  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.553   0.108   2.504  1.00  0.00           C  
HETATM   14  C   UNL     1       3.892  -1.545   0.002  1.00  0.00           C  
HETATM   15  O   UNL     1       5.048  -2.256   0.012  1.00  0.00           O  
HETATM   16  S   UNL     1       5.229   2.164  -0.086  1.00  0.00           S  
HETATM   17  O   UNL     1       4.370   2.519  -1.161  1.00  0.00           O  
HETATM   18  O   UNL     1       6.617   2.467  -0.127  1.00  0.00           O  
HETATM   19  N   UNL     1       5.173   0.510  -0.048  1.00  0.00           N  
HETATM   20  C   UNL     1       0.195   0.403  -0.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.686  -0.666   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.810  -2.863   0.042  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.082  -1.118   0.013  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.212  -0.334   0.002  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.061   1.562  -1.219  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.056   1.604   1.175  1.00  0.00           C  
HETATM   27  C   UNL     1       1.490  -1.488   0.008  1.00  0.00           C  
HETATM   28  C   UNL     1       2.670  -2.210   0.018  1.00  0.00           C  
HETATM   29  C   UNL     1       4.933  -3.680   0.040  1.00  0.00           C  
HETATM   30  H   UNL     1       3.490   2.308   1.572  1.00  0.00           H  
HETATM   31  H   UNL     1       5.106   2.271   2.316  1.00  0.00           H  
HETATM   32  H   UNL     1       4.509   3.767   1.560  1.00  0.00           H  
HETATM   33  H   UNL     1       2.805   1.665  -0.056  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.643  -1.561   0.921  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.650  -1.596  -0.859  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.167  -0.840  -2.795  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.615   0.784  -3.274  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.527  -0.295  -2.367  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.302   2.844  -0.042  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.695   0.707   2.809  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.332   0.177   3.263  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.248  -0.932   2.391  1.00  0.00           H  
HETATM   43  H   UNL     1       5.996  -0.004  -0.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.093   1.444  -0.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.132   0.632  -0.017  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.444   1.927  -2.160  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.436   2.003   2.104  1.00  0.00           H  
HETATM   48  H   UNL     1       2.643  -3.290   0.039  1.00  0.00           H  
HETATM   49  H   UNL     1       5.929  -4.125   0.046  1.00  0.00           H  
HETATM   50  H   UNL     1       4.395  -3.984   0.938  1.00  0.00           H  
HETATM   51  H   UNL     1       4.389  -4.018  -0.842  1.00  0.00           H  
CONECT    1   16   30   31   32                                       
CONECT    2   14   19    3    3                                       
CONECT    3    2    2    4   33                                       
CONECT    4   27    3   20   20                                       
CONECT    5   27   27   22   21                                       
CONECT    6   22   22   23                                            
CONECT    7   24    8   34   35                                       
CONECT    8    7    9    9   12                                       
CONECT    9   10    8    8   25                                       
CONECT   10    9   36   37   38                                       
CONECT   11   25   25   26   39                                       
CONECT   12    8   13   26   26                                       
CONECT   13   12   40   41   42                                       
CONECT   14   15   28   28    2                                       
CONECT   15   29   14                                                 
CONECT   16   18   18   19   17                                       
CONECT   16   17    1                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16    2   43                                            
CONECT   20    4    4   21   44                                       
CONECT   21    5   20   23   23                                       
CONECT   22    5    6    6                                            
CONECT   23    6   21   21   24                                       
CONECT   24   23    7   45                                            
CONECT   25    9   11   11   46                                       
CONECT   26   12   12   11   47                                       
CONECT   27   28    5    5    4                                       
CONECT   28   14   14   27   48                                       
CONECT   29   15   49   50   51                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
