COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.975   2.597   0.627  1.00  0.00           S  
HETATM    2  C   UNL     1       6.938   1.886  -0.671  1.00  0.00           C  
HETATM    3  O   UNL     1       6.602   2.251   1.884  1.00  0.00           O  
HETATM    4  O   UNL     1       5.708   3.976   0.280  1.00  0.00           O  
HETATM    5  C   UNL     1       6.621   1.879  -1.999  1.00  0.00           C  
HETATM    6  C   UNL     1       8.102   1.261  -0.518  1.00  0.00           C  
HETATM    7  N   UNL     1       7.575   1.255  -2.696  1.00  0.00           N  
HETATM    8  C   UNL     1       5.451   2.432  -2.702  1.00  0.00           C  
HETATM    9  O   UNL     1       8.514   0.864  -1.749  1.00  0.00           O  
HETATM   10  C   UNL     1       8.987   0.924   0.605  1.00  0.00           C  
HETATM   11  N   UNL     1       4.530   1.691   0.456  1.00  0.00           N  
HETATM   12  C   UNL     1       4.679   0.217   0.622  1.00  0.00           C  
HETATM   13  C   UNL     1       3.428  -0.487   0.104  1.00  0.00           C  
HETATM   14  C   UNL     1       2.135   0.020   0.770  1.00  0.00           C  
HETATM   15  C   UNL     1       2.078   1.557   0.691  1.00  0.00           C  
HETATM   16  C   UNL     1       3.353   2.226   1.199  1.00  0.00           C  
HETATM   17  C   UNL     1       2.013  -0.477   2.216  1.00  0.00           C  
HETATM   18  C   UNL     1       0.957  -0.541   0.015  1.00  0.00           C  
HETATM   19  O   UNL     1       1.043  -0.186   2.913  1.00  0.00           O  
HETATM   20  N   UNL     1       3.068  -1.258   2.606  1.00  0.00           N  
HETATM   21  S   UNL     1       0.978  -2.296   0.039  1.00  0.00           S  
HETATM   22  O   UNL     1       0.767  -2.756   1.404  1.00  0.00           O  
HETATM   23  O   UNL     1       2.145  -2.747  -0.705  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.460  -2.764  -0.883  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.353  -2.948  -2.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.486  -3.315  -2.976  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.706  -3.491  -2.323  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.793  -3.301  -0.944  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.660  -2.934  -0.218  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.811  -3.849  -3.032  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.882  -3.413  -4.389  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.281  -3.248  -4.782  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.429  -3.111  -5.106  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.827  -2.946  -5.502  1.00  0.00           C  
HETATM   35  O   UNL     1       3.008  -1.753   3.916  1.00  0.00           O  
HETATM   36  H   UNL     1       4.678   1.660  -2.861  1.00  0.00           H  
HETATM   37  H   UNL     1       4.983   3.262  -2.145  1.00  0.00           H  
HETATM   38  H   UNL     1       5.716   2.844  -3.692  1.00  0.00           H  
HETATM   39  H   UNL     1       9.592   1.794   0.917  1.00  0.00           H  
HETATM   40  H   UNL     1       8.427   0.577   1.493  1.00  0.00           H  
HETATM   41  H   UNL     1       9.689   0.107   0.357  1.00  0.00           H  
HETATM   42  H   UNL     1       4.853  -0.020   1.677  1.00  0.00           H  
HETATM   43  H   UNL     1       5.545  -0.126   0.045  1.00  0.00           H  
HETATM   44  H   UNL     1       3.364  -0.331  -0.982  1.00  0.00           H  
HETATM   45  H   UNL     1       3.538  -1.567   0.263  1.00  0.00           H  
HETATM   46  H   UNL     1       1.225   1.935   1.270  1.00  0.00           H  
HETATM   47  H   UNL     1       1.915   1.863  -0.352  1.00  0.00           H  
HETATM   48  H   UNL     1       3.278   3.306   1.031  1.00  0.00           H  
HETATM   49  H   UNL     1       3.484   2.054   2.273  1.00  0.00           H  
HETATM   50  H   UNL     1       0.995  -0.218  -1.022  1.00  0.00           H  
HETATM   51  H   UNL     1       0.031  -0.209   0.475  1.00  0.00           H  
HETATM   52  H   UNL     1       3.843  -1.466   1.986  1.00  0.00           H  
HETATM   53  H   UNL     1       0.593  -2.814  -2.768  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.411  -3.462  -4.050  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.741  -3.437  -0.431  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.740  -2.787   0.856  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.340  -2.466  -4.478  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.388  -4.159  -5.019  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.912  -2.811  -6.584  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.268  -2.072  -5.014  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.417  -3.824  -5.222  1.00  0.00           H  
HETATM   62  H   UNL     1       3.401  -2.633   3.789  1.00  0.00           H  
CONECT    1    4    4   11    2                                       
CONECT    1    3    3                                                 
CONECT    2    1    5    6    6                                       
CONECT    3    1    1                                                 
CONECT    4    1    1                                                 
CONECT    5    2    8    7    7                                       
CONECT    6    2    2    9   10                                       
CONECT    7    5    5    9                                            
CONECT    8    5   36   37   38                                       
CONECT    9    6    7                                                 
CONECT   10    6   39   40   41                                       
CONECT   11    1   16   12                                            
CONECT   12   11   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   18   17                                       
CONECT   15   14   16   46   47                                       
CONECT   16   11   15   48   49                                       
CONECT   17   14   20   19   19                                       
CONECT   18   14   21   50   51                                       
CONECT   19   17   17                                                 
CONECT   20   17   35   52                                            
CONECT   21   18   23   23   22                                       
CONECT   21   22   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   29   29                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   30   28   28                                       
CONECT   28   27   27   29   55                                       
CONECT   29   24   24   28   56                                       
CONECT   30   27   31                                                 
CONECT   31   30   32   57   58                                       
CONECT   32   31   33   33   33                                       
CONECT   33   32   32   32   34                                       
CONECT   34   33   59   60   61                                       
CONECT   35   20   62                                                 
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
