COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.944   0.005   0.538  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.622  -0.738   0.364  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.440  -0.640  -0.601  1.00  0.00           C  
HETATM    4  C   UNL     1       1.610   0.820  -0.020  1.00  0.00           C  
HETATM    5  C   UNL     1       1.901   2.073   0.431  1.00  0.00           C  
HETATM    6  C   UNL     1       2.722  -0.137  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1       4.539   2.339  -1.245  1.00  0.00           C  
HETATM    8  C   UNL     1       7.785  -1.505   0.486  1.00  0.00           C  
HETATM    9  C   UNL     1       6.850  -2.811   2.400  1.00  0.00           C  
HETATM   10  C   UNL     1       5.085  -0.626  -0.234  1.00  0.00           C  
HETATM   11  C   UNL     1       6.543  -2.219   1.023  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.748   0.375   2.046  1.00  0.00           O  
HETATM   13  S   UNL     1      -7.149  -0.043   0.748  1.00  0.00           S  
HETATM   14  O   UNL     1      -8.362  -0.756   0.550  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.017   1.329  -0.431  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.969  -1.106   0.279  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.143  -0.105   1.505  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.758  -1.005  -0.694  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.298  -0.978  -1.911  1.00  0.00           S  
HETATM   20  O   UNL     1      -0.742  -2.261  -1.655  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.946  -0.628  -3.126  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.081   0.140  -1.663  1.00  0.00           N  
HETATM   23  C   UNL     1       0.228   0.432  -0.345  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.640   0.381   0.619  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.820   0.266   1.598  1.00  0.00           C  
HETATM   26  O   UNL     1       2.506  -1.323  -0.329  1.00  0.00           O  
HETATM   27  N   UNL     1       3.983   0.333  -0.119  1.00  0.00           N  
HETATM   28  N   UNL     1       4.283   1.631   0.029  1.00  0.00           N  
HETATM   29  C   UNL     1       4.639   3.818  -0.781  1.00  0.00           C  
HETATM   30  C   UNL     1       3.320   2.450   0.775  1.00  0.00           C  
HETATM   31  C   UNL     1       3.539   3.909   0.304  1.00  0.00           C  
HETATM   32  O   UNL     1       0.917   2.979   0.569  1.00  0.00           O  
HETATM   33  C   UNL     1       5.392  -1.218   1.143  1.00  0.00           C  
HETATM   34  C   UNL     1       6.144  -3.341   0.063  1.00  0.00           C  
HETATM   35  H   UNL     1       5.475   2.007  -1.693  1.00  0.00           H  
HETATM   36  H   UNL     1       3.708   2.203  -1.938  1.00  0.00           H  
HETATM   37  H   UNL     1       8.605  -2.218   0.401  1.00  0.00           H  
HETATM   38  H   UNL     1       7.566  -1.083  -0.495  1.00  0.00           H  
HETATM   39  H   UNL     1       8.069  -0.705   1.171  1.00  0.00           H  
HETATM   40  H   UNL     1       7.133  -2.011   3.085  1.00  0.00           H  
HETATM   41  H   UNL     1       5.964  -3.319   2.783  1.00  0.00           H  
HETATM   42  H   UNL     1       7.669  -3.524   2.315  1.00  0.00           H  
HETATM   43  H   UNL     1       4.801  -1.425  -0.918  1.00  0.00           H  
HETATM   44  H   UNL     1       5.970  -0.117  -0.616  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.023   1.770  -0.365  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.183   0.957  -1.442  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.766   2.085  -0.194  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.212  -1.984  -0.054  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.815   0.098   2.326  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.123  -1.497  -1.583  1.00  0.00           H  
HETATM   51  H   UNL     1       0.384   0.561  -2.403  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.458   0.757   2.489  1.00  0.00           H  
HETATM   53  H   UNL     1       5.621   4.023  -0.354  1.00  0.00           H  
HETATM   54  H   UNL     1       4.425   4.497  -1.606  1.00  0.00           H  
HETATM   55  H   UNL     1       3.489   2.354   1.847  1.00  0.00           H  
HETATM   56  H   UNL     1       3.877   4.528   1.135  1.00  0.00           H  
HETATM   57  H   UNL     1       2.620   4.313  -0.121  1.00  0.00           H  
HETATM   58  H   UNL     1       0.036   2.719   0.265  1.00  0.00           H  
HETATM   59  H   UNL     1       5.675  -0.418   1.828  1.00  0.00           H  
HETATM   60  H   UNL     1       4.506  -1.726   1.526  1.00  0.00           H  
HETATM   61  H   UNL     1       6.964  -4.054  -0.023  1.00  0.00           H  
HETATM   62  H   UNL     1       5.259  -3.849   0.445  1.00  0.00           H  
HETATM   63  H   UNL     1       5.926  -2.919  -0.918  1.00  0.00           H  
CONECT    1    3    3   24   25                                       
CONECT    2   16   17   18   18                                       
CONECT    3    1    1   18   19                                       
CONECT    4    5    5    6   23                                       
CONECT    5    4    4   30   32                                       
CONECT    6    4   26   26   27                                       
CONECT    7   28   29   35   36                                       
CONECT    8   11   37   38   39                                       
CONECT    9   11   40   41   42                                       
CONECT   10   27   33   43   44                                       
CONECT   11    8    9   33   34                                       
CONECT   12   13   13                                                 
CONECT   13   12   12   14   14                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   45   46   47                                       
CONECT   16    2   13   48                                            
CONECT   17    2   25   25   49                                       
CONECT   18    2    2    3   50                                       
CONECT   19    3   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   51                                            
CONECT   23    4   22   24   24                                       
CONECT   24    1   23   23                                            
CONECT   25    1   17   17   52                                       
CONECT   26    6    6                                                 
CONECT   27    6   10   28                                            
CONECT   28    7   27   30                                            
CONECT   29    7   31   53   54                                       
CONECT   30    5   28   31   55                                       
CONECT   31   29   30   56   57                                       
CONECT   32    5   58                                                 
CONECT   33   10   11   59   60                                       
CONECT   34   11   61   62   63                                       
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
