COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.679  -0.103   2.848  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.665  -0.220   2.524  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.041  -0.454   1.215  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.079  -0.572   0.229  1.00  0.00           C  
HETATM    5  C   UNL     1       1.260  -0.455   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1       1.642  -0.216   1.854  1.00  0.00           C  
HETATM    7  N   UNL     1       1.063   0.133   4.172  1.00  0.00           N  
HETATM    8  C   UNL     1       0.480  -0.551   5.175  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.755  -1.685   4.833  1.00  0.00           S  
HETATM   10  N   UNL     1       0.869  -0.343   6.449  1.00  0.00           N  
HETATM   11  C   UNL     1       0.235  -1.087   7.540  1.00  0.00           C  
HETATM   12  C   UNL     1       0.856  -0.666   8.873  1.00  0.00           C  
HETATM   13  O   UNL     1       0.654   0.734   9.072  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.493  -0.827  -1.197  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.581   0.502  -1.948  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.861   0.234  -3.428  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.668   1.313  -1.383  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.295   2.719  -1.585  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.223   3.101  -0.598  1.00  0.00           C  
HETATM   20  O   UNL     1       0.187   2.285   0.193  1.00  0.00           O  
HETATM   21  O   UNL     1       0.275   4.347  -0.597  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.854   1.067  -2.215  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.485  -0.241  -1.816  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.147  -0.788  -0.793  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.423  -0.800  -2.596  1.00  0.00           O  
HETATM   26  N   UNL     1       0.313  -0.399  -4.042  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.129  -0.951  -5.329  1.00  0.00           C  
HETATM   28  C   UNL     1       0.937  -1.864  -5.877  1.00  0.00           C  
HETATM   29  O   UNL     1       1.919  -2.111  -5.217  1.00  0.00           O  
HETATM   30  O   UNL     1       0.796  -2.404  -7.098  1.00  0.00           O  
HETATM   31  C   UNL     1       1.262   0.679  -4.350  1.00  0.00           C  
HETATM   32  C   UNL     1       2.557   0.431  -3.620  1.00  0.00           C  
HETATM   33  O   UNL     1       2.707  -0.583  -2.982  1.00  0.00           O  
HETATM   34  O   UNL     1       3.545   1.338  -3.680  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.417  -0.129   3.294  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.087  -0.546   0.963  1.00  0.00           H  
HETATM   37  H   UNL     1       2.009  -0.547  -0.224  1.00  0.00           H  
HETATM   38  H   UNL     1       2.689  -0.124   2.102  1.00  0.00           H  
HETATM   39  H   UNL     1       1.749   0.791   4.368  1.00  0.00           H  
HETATM   40  H   UNL     1       1.569   0.299   6.643  1.00  0.00           H  
HETATM   41  H   UNL     1       0.390  -2.155   7.388  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.833  -0.873   7.553  1.00  0.00           H  
HETATM   43  H   UNL     1       1.925  -0.880   8.860  1.00  0.00           H  
HETATM   44  H   UNL     1       0.385  -1.220   9.685  1.00  0.00           H  
HETATM   45  H   UNL     1       1.059   0.957   9.921  1.00  0.00           H  
HETATM   46  H   UNL     1       0.243  -1.469  -1.680  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.466  -1.317  -1.211  1.00  0.00           H  
HETATM   48  H   UNL     1       0.361   1.039  -1.848  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.721  -0.428  -3.521  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.071   1.176  -3.935  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.919   2.853  -2.600  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.170   3.352  -1.435  1.00  0.00           H  
HETATM   53  H   UNL     1       0.963   4.593   0.036  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.572   1.875  -2.072  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.560   1.023  -3.263  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.828  -1.640  -2.340  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.050  -1.515  -5.185  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.307  -0.138  -6.032  1.00  0.00           H  
HETATM   59  H   UNL     1       1.481  -2.990  -7.450  1.00  0.00           H  
HETATM   60  H   UNL     1       1.448   0.703  -5.423  1.00  0.00           H  
HETATM   61  H   UNL     1       0.843   1.633  -4.032  1.00  0.00           H  
HETATM   62  H   UNL     1       4.376   1.179  -3.212  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    4   36                                       
CONECT    4    3    5    5   14                                       
CONECT    5    4    4    6   37                                       
CONECT    6    1    1    5   38                                       
CONECT    7    1    8   39                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   40                                            
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   45                                                 
CONECT   14    4   15   46   47                                       
CONECT   15   14   16   17   48                                       
CONECT   16   15   26   49   50                                       
CONECT   17   15   18   22                                            
CONECT   18   17   19   51   52                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   53                                                 
CONECT   22   17   23   54   55                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   56                                                 
CONECT   26   16   27   31                                            
CONECT   27   26   28   57   58                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   59                                                 
CONECT   31   26   32   60   61                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   62                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
