COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.893  -3.249  -1.372  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.953   0.731  -3.020  1.00  0.00           O  
HETATM    3  C   UNL     1       4.736  -1.757   0.786  1.00  0.00           C  
HETATM    4  C   UNL     1       5.316  -0.722   1.786  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.343  -3.269   0.982  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.352   0.089  -1.227  1.00  0.00           N  
HETATM    7  S   UNL     1       3.083   1.737  -0.390  1.00  0.00           S  
HETATM    8  C   UNL     1       4.058  -0.867  -0.277  1.00  0.00           C  
HETATM    9  C   UNL     1       2.749  -1.511  -0.737  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.405   1.379   0.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.880   0.149  -1.717  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.140   0.430  -0.942  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.441   0.488  -0.328  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.790   0.811  -0.902  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.476  -0.822   1.567  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.938   0.564   1.114  1.00  0.00           C  
HETATM   17  C   UNL     1       0.742   2.169   0.948  1.00  0.00           C  
HETATM   18  C   UNL     1       1.342   1.599  -0.159  1.00  0.00           C  
HETATM   19  C   UNL     1       0.571   0.918  -1.085  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.621   2.064   1.135  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.776   1.137   0.181  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.762   1.548   1.197  1.00  0.00           C  
HETATM   23  O   UNL     1       3.317   1.578  -1.783  1.00  0.00           O  
HETATM   24  O   UNL     1       3.495   2.884   0.341  1.00  0.00           O  
HETATM   25  N   UNL     1       3.782   0.433   0.353  1.00  0.00           N  
HETATM   26  C   UNL     1       4.230   0.382   1.757  1.00  0.00           C  
HETATM   27  O   UNL     1       1.933  -1.797   0.401  1.00  0.00           O  
HETATM   28  C   UNL     1       0.726  -2.376   0.165  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.116  -2.681   1.224  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.731  -3.553  -0.315  1.00  0.00           C  
HETATM   31  C   UNL     1       0.335  -2.662  -1.135  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.070   1.046   2.024  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.196  -3.476  -2.383  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.167   0.581  -3.563  1.00  0.00           H  
HETATM   35  H   UNL     1       5.533  -2.351   0.339  1.00  0.00           H  
HETATM   36  H   UNL     1       4.003  -2.398   1.275  1.00  0.00           H  
HETATM   37  H   UNL     1       5.408  -1.153   2.783  1.00  0.00           H  
HETATM   38  H   UNL     1       6.274  -0.337   1.438  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.999  -3.507   1.806  1.00  0.00           H  
HETATM   40  H   UNL     1       4.725  -0.733  -1.129  1.00  0.00           H  
HETATM   41  H   UNL     1       2.220  -0.826  -1.400  1.00  0.00           H  
HETATM   42  H   UNL     1       2.967  -2.436  -1.270  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.707  -0.924  -1.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.819   1.465  -0.631  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.247  -0.243  -0.391  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.670  -1.166   0.918  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.118  -0.768   2.595  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.311  -1.520   1.509  1.00  0.00           H  
HETATM   49  H   UNL     1       1.343   2.701   1.671  1.00  0.00           H  
HETATM   50  H   UNL     1       1.036   0.471  -1.951  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.082   2.513   2.002  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.109   2.560   0.990  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.312   1.505   2.189  1.00  0.00           H  
HETATM   54  H   UNL     1       3.400   0.116   2.411  1.00  0.00           H  
HETATM   55  H   UNL     1       4.656   1.340   2.053  1.00  0.00           H  
HETATM   56  H   UNL     1       0.186  -2.459   2.237  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.690  -4.012  -0.502  1.00  0.00           H  
HETATM   58  H   UNL     1       0.989  -2.425  -1.961  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.905   0.347   1.966  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.712   1.100   3.052  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.400   2.034   1.702  1.00  0.00           H  
CONECT    1   30   30   31   33                                       
CONECT    2   11   34                                                 
CONECT    3    4    8   35   36                                       
CONECT    4    3   26   37   38                                       
CONECT    5   29   29   30   39                                       
CONECT    6   12   12   13                                            
CONECT    7   18   23   23   24                                       
CONECT    7   24   25                                                 
CONECT    8    3    9   25   40                                       
CONECT    9    8   27   41   42                                       
CONECT   10   14   14   20   21                                       
CONECT   11    2   12   14   43                                       
CONECT   12    6    6   11   21                                       
CONECT   13    6   16   44   45                                       
CONECT   14   10   10   11   19                                       
CONECT   15   16   46   47   48                                       
CONECT   16   13   15   22   32                                       
CONECT   17   18   20   20   49                                       
CONECT   18    7   17   19   19                                       
CONECT   19   14   18   18   50                                       
CONECT   20   10   17   17   51                                       
CONECT   21   10   12   22                                            
CONECT   22   16   21   52   53                                       
CONECT   23    7    7                                                 
CONECT   24    7    7                                                 
CONECT   25    7    8   26                                            
CONECT   26    4   25   54   55                                       
CONECT   27    9   28                                                 
CONECT   28   27   29   31   31                                       
CONECT   29    5    5   28   56                                       
CONECT   30    1    1    5   57                                       
CONECT   31    1   28   28   58                                       
CONECT   32   16   59   60   61                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
