COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -8.400  -1.449   0.276  1.00  0.00           S  
HETATM    2  C   UNL     1      -8.797  -3.103   0.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.725  -3.829  -0.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.562  -3.109  -0.342  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.721  -1.771  -0.135  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.659  -0.759  -0.241  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.947   0.572  -0.007  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.443  -1.118  -0.555  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.917   1.516   0.020  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.114   2.777  -0.528  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.094   3.707  -0.500  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.877   3.385   0.072  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.677   2.130   0.618  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.695   1.197   0.599  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.349   1.782   1.240  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.861   2.904   1.978  1.00  0.00           O  
HETATM   17  S   UNL     1       7.944  -2.026   1.049  1.00  0.00           S  
HETATM   18  C   UNL     1       9.641  -1.879   0.965  1.00  0.00           C  
HETATM   19  C   UNL     1       9.994  -0.827   0.219  1.00  0.00           C  
HETATM   20  C   UNL     1       8.946  -0.106  -0.307  1.00  0.00           C  
HETATM   21  C   UNL     1       7.722  -0.606   0.036  1.00  0.00           C  
HETATM   22  C   UNL     1       6.429  -0.048  -0.377  1.00  0.00           C  
HETATM   23  N   UNL     1       5.310  -0.619   0.017  1.00  0.00           N  
HETATM   24  N   UNL     1       6.386   1.074  -1.178  1.00  0.00           N  
HETATM   25  C   UNL     1       4.111  -0.186  -0.477  1.00  0.00           C  
HETATM   26  C   UNL     1       3.907  -0.113  -1.858  1.00  0.00           C  
HETATM   27  C   UNL     1       2.696   0.324  -2.353  1.00  0.00           C  
HETATM   28  C   UNL     1       1.681   0.689  -1.487  1.00  0.00           C  
HETATM   29  C   UNL     1       1.874   0.619  -0.113  1.00  0.00           C  
HETATM   30  C   UNL     1       3.084   0.178   0.395  1.00  0.00           C  
HETATM   31  O   UNL     1       0.873   0.980   0.732  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.349   1.422   0.139  1.00  0.00           C  
HETATM   33  H   UNL     1      -9.784  -3.510   0.318  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.766  -4.900  -0.305  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.617  -3.560  -0.608  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.865   0.851   0.139  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.764  -0.444  -0.716  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.064   3.029  -0.975  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.247   4.688  -0.926  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.081   4.114   0.093  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.540   0.219   1.029  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.473   0.932   1.910  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.726   3.698   1.443  1.00  0.00           H  
HETATM   44  H   UNL     1      10.338  -2.547   1.449  1.00  0.00           H  
HETATM   45  H   UNL     1      11.026  -0.562   0.042  1.00  0.00           H  
HETATM   46  H   UNL     1       9.078   0.767  -0.928  1.00  0.00           H  
HETATM   47  H   UNL     1       7.203   1.424  -1.566  1.00  0.00           H  
HETATM   48  H   UNL     1       4.698  -0.397  -2.537  1.00  0.00           H  
HETATM   49  H   UNL     1       2.539   0.380  -3.420  1.00  0.00           H  
HETATM   50  H   UNL     1       0.735   1.030  -1.881  1.00  0.00           H  
HETATM   51  H   UNL     1       3.233   0.119   1.463  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.762   0.624  -0.479  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.158   2.299  -0.479  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3   33                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3    5    5   35                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9   36                                            
CONECT    8    6    6   37                                            
CONECT    9    7   10   10   14                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   15                                       
CONECT   14    9   13   13   41                                       
CONECT   15   13   16   32   42                                       
CONECT   16   15   43                                                 
CONECT   17   18   21                                                 
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   21   21   46                                       
CONECT   21   17   20   20   22                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   25                                                 
CONECT   24   22   22   47                                            
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   30   30   31                                       
CONECT   30   25   29   29   51                                       
CONECT   31   29   32                                                 
CONECT   32   15   31   52   53                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
