COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.412  -3.165  -1.049  1.00  0.00           O  
HETATM    2  C   UNL     1       4.313  -1.988  -0.755  1.00  0.00           C  
HETATM    3  C   UNL     1       5.516  -1.203  -0.463  1.00  0.00           C  
HETATM    4  S   UNL     1       5.653   0.518  -0.011  1.00  0.00           S  
HETATM    5  C   UNL     1       7.378   0.610   0.141  1.00  0.00           C  
HETATM    6  S   UNL     1       8.365   2.004   0.573  1.00  0.00           S  
HETATM    7  O   UNL     1       9.524   1.406   1.138  1.00  0.00           O  
HETATM    8  O   UNL     1       7.472   2.797   1.343  1.00  0.00           O  
HETATM    9  C   UNL     1       8.724   2.769  -1.033  1.00  0.00           C  
HETATM   10  C   UNL     1       7.783  -0.653  -0.153  1.00  0.00           C  
HETATM   11  C   UNL     1       6.843  -1.604  -0.461  1.00  0.00           C  
HETATM   12  N   UNL     1       3.099  -1.407  -0.697  1.00  0.00           N  
HETATM   13  C   UNL     1       1.896  -2.192  -0.989  1.00  0.00           C  
HETATM   14  C   UNL     1       0.660  -1.301  -0.853  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.828  -2.273  -1.214  1.00  0.00           S  
HETATM   16  S   UNL     1      -0.866  -3.491   0.435  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.735  -2.411   1.605  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.177  -2.274   1.186  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.122  -3.163   1.662  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.444  -3.036   1.278  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.821  -2.021   0.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.552  -1.261   0.324  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.875  -1.131  -0.055  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.355   0.163  -1.150  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.175   0.535  -1.849  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.567  -0.270  -1.753  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.759   1.473  -0.221  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.736   2.139   0.590  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.769   1.588   1.992  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.717   0.939   2.363  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.618   1.846   2.930  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.015   3.643   0.627  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.862   4.217  -0.759  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.060   5.528  -0.968  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.561   3.497  -1.681  1.00  0.00           O  
HETATM   36  H   UNL     1       7.790   3.053  -1.517  1.00  0.00           H  
HETATM   37  H   UNL     1       9.340   3.656  -0.883  1.00  0.00           H  
HETATM   38  H   UNL     1       9.258   2.058  -1.663  1.00  0.00           H  
HETATM   39  H   UNL     1       8.833  -0.907  -0.140  1.00  0.00           H  
HETATM   40  H   UNL     1       7.125  -2.619  -0.700  1.00  0.00           H  
HETATM   41  H   UNL     1       3.020  -0.469  -0.462  1.00  0.00           H  
HETATM   42  H   UNL     1       1.825  -3.022  -0.286  1.00  0.00           H  
HETATM   43  H   UNL     1       1.954  -2.581  -2.005  1.00  0.00           H  
HETATM   44  H   UNL     1       0.731  -0.471  -1.556  1.00  0.00           H  
HETATM   45  H   UNL     1       0.602  -0.912   0.164  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.264  -1.429   1.611  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.687  -2.844   2.604  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.828  -3.956   2.334  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.183  -3.731   1.650  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.854  -1.922   0.120  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.814  -0.566  -0.048  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.672   1.800  -0.213  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.754   1.963   0.152  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.819   1.373   3.891  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.703   1.433   2.505  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.500   2.921   3.072  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.031   3.816   0.981  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.308   4.127   1.300  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.961   5.896  -1.857  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   11   11                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7    8                                       
CONECT    6    8    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9    6   36   37   38                                       
CONECT   10    5    5   11   39                                       
CONECT   11    3    3   10   40                                       
CONECT   12    2   13   41                                            
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   46   47                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   48                                       
CONECT   20   19   21   21   49                                       
CONECT   21   20   20   23   50                                       
CONECT   22   18   23   23   51                                       
CONECT   23   21   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28   52                                            
CONECT   28   27   29   32   53                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   54   55   56                                       
CONECT   32   28   33   57   58                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   59                                                 
CONECT   35   33   33                                                 
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
