COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.736  -1.624  -2.935  1.00  0.00           C  
HETATM    2  C   UNL     1       1.129   2.694   0.428  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.236   2.806   0.242  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.001   1.678   0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.399   0.431  -0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.497  -0.531  -0.359  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.065   0.001  -1.520  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.413   0.155  -1.634  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.248  -0.223  -0.575  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.680  -0.763   0.607  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.291  -0.913   0.701  1.00  0.00           C  
HETATM   12  C   UNL     1       4.731  -0.496  -0.842  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.546  -1.134   1.655  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.885  -0.960   1.493  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.652  -0.082  -0.644  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.893   4.161   0.296  1.00  0.00           C  
HETATM   17  C   UNL     1       5.781   0.275  -1.319  1.00  0.00           C  
HETATM   18  C   UNL     1       6.335   1.256  -0.519  1.00  0.00           C  
HETATM   19  C   UNL     1       5.844   1.469   0.756  1.00  0.00           C  
HETATM   20  C   UNL     1       4.798   0.702   1.233  1.00  0.00           C  
HETATM   21  C   UNL     1       4.240  -0.280   0.437  1.00  0.00           C  
HETATM   22  C   UNL     1       0.977   0.317   0.142  1.00  0.00           C  
HETATM   23  C   UNL     1       1.737   1.454   0.379  1.00  0.00           C  
HETATM   24  N   UNL     1       1.590  -0.939   0.093  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.398  -0.452   0.380  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.242   0.442  -1.781  1.00  0.00           N  
HETATM   27  O   UNL     1       4.180  -1.457  -1.629  1.00  0.00           O  
HETATM   28  O   UNL     1       3.259  -2.612   0.805  1.00  0.00           O  
HETATM   29  O   UNL     1       2.597  -0.752   2.338  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.150  -0.679  -0.276  1.00  0.00           O  
HETATM   31  S   UNL     1       2.906  -1.257   1.046  1.00  0.00           S  
HETATM   32  H   UNL     1       4.207  -2.421  -3.456  1.00  0.00           H  
HETATM   33  H   UNL     1       4.635  -0.694  -3.494  1.00  0.00           H  
HETATM   34  H   UNL     1       5.792  -1.884  -2.850  1.00  0.00           H  
HETATM   35  H   UNL     1       1.723   3.578   0.608  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.067   1.770  -0.139  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.425   0.294  -2.339  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.837   0.568  -2.538  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.846  -1.324   1.596  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.153  -1.550   2.571  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.551  -1.243   2.295  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.904   4.600  -0.701  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.916   4.055   0.658  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.334   4.809   0.972  1.00  0.00           H  
HETATM   45  H   UNL     1       6.166   0.109  -2.315  1.00  0.00           H  
HETATM   46  H   UNL     1       7.153   1.856  -0.890  1.00  0.00           H  
HETATM   47  H   UNL     1       6.279   2.236   1.379  1.00  0.00           H  
HETATM   48  H   UNL     1       4.416   0.871   2.229  1.00  0.00           H  
HETATM   49  H   UNL     1       2.804   1.369   0.525  1.00  0.00           H  
HETATM   50  H   UNL     1       1.244  -1.625  -0.500  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.692   0.713  -2.532  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.207   0.538  -1.826  1.00  0.00           H  
CONECT    1   27   32   33   34                                       
CONECT    2   23   23    3   35                                       
CONECT    3    2   16    4    4                                       
CONECT    4    3    3    5   36                                       
CONECT    5   22   22    4   30                                       
CONECT    6    7   30   11   11                                       
CONECT    7    8    8    6   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   15   15   10                                       
CONECT   10    9   11   13   13                                       
CONECT   11    6    6   10   39                                       
CONECT   12   27   21   21   17                                       
CONECT   13   10   10   14   40                                       
CONECT   14   25   25   13   41                                       
CONECT   15   26    9    9   25                                       
CONECT   16    3   42   43   44                                       
CONECT   17   12   18   18   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   20   18   47                                       
CONECT   20   21   19   19   48                                       
CONECT   21   31   12   12   20                                       
CONECT   22   23   24    5    5                                       
CONECT   23    2    2   22   49                                       
CONECT   24   22   31   50                                            
CONECT   25   15   14   14                                            
CONECT   26   15   51   52                                            
CONECT   27    1   12                                                 
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30    5    6                                                 
CONECT   31   24   29   29   28                                       
CONECT   31   28   21                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
