COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.801  -0.504  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1       0.462  -0.961   0.160  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.498  -0.002  -0.013  1.00  0.00           C  
HETATM    4  S   UNL     1       0.196   1.449  -0.571  1.00  0.00           S  
HETATM    5  C   UNL     1       1.814   0.770  -0.579  1.00  0.00           C  
HETATM    6  C   UNL     1       3.069   1.515  -0.998  1.00  0.00           C  
HETATM    7  N   UNL     1       4.226   0.690  -0.619  1.00  0.00           N  
HETATM    8  C   UNL     1       4.165  -0.753  -0.897  1.00  0.00           C  
HETATM    9  C   UNL     1       3.045  -1.370  -0.055  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.849  -0.186   0.232  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.715   0.827   0.029  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.185   0.627   0.296  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.929   1.902  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.450   2.224  -1.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.091   3.451  -1.233  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.089   4.124  -0.082  1.00  0.00           C  
HETATM   17  S   UNL     1      -5.248   3.189   1.148  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.312   1.899  -0.368  1.00  0.00           O  
HETATM   19  C   UNL     1       0.168  -2.316   0.631  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.119  -3.291  -0.255  1.00  0.00           O  
HETATM   21  C   UNL     1       5.310   1.240  -0.035  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.400  -4.610   0.283  1.00  0.00           C  
HETATM   23  C   UNL     1       0.022  -5.704  -0.721  1.00  0.00           C  
HETATM   24  N   UNL     1       5.389   2.577   0.115  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.040  -6.814  -0.632  1.00  0.00           C  
HETATM   26  O   UNL     1       6.215   0.529   0.357  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.070  -6.356   0.421  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.926  -4.814   0.448  1.00  0.00           C  
HETATM   29  O   UNL     1       0.183  -2.563   1.822  1.00  0.00           O  
HETATM   30  C   UNL     1       6.441   4.702   0.716  1.00  0.00           C  
HETATM   31  C   UNL     1       6.611   3.183   0.649  1.00  0.00           C  
HETATM   32  H   UNL     1       3.064   1.670  -2.077  1.00  0.00           H  
HETATM   33  H   UNL     1       3.115   2.477  -0.487  1.00  0.00           H  
HETATM   34  H   UNL     1       3.957  -0.913  -1.955  1.00  0.00           H  
HETATM   35  H   UNL     1       5.116  -1.216  -0.635  1.00  0.00           H  
HETATM   36  H   UNL     1       3.359  -1.421   0.988  1.00  0.00           H  
HETATM   37  H   UNL     1       2.825  -2.373  -0.420  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.172  -1.044   0.550  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.563  -0.175  -0.339  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.332   0.361   1.343  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.378   1.578  -2.054  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.556   3.834  -2.129  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.539   5.094   0.073  1.00  0.00           H  
HETATM   44  H   UNL     1       0.111  -4.749   1.235  1.00  0.00           H  
HETATM   45  H   UNL     1       0.050  -5.293  -1.730  1.00  0.00           H  
HETATM   46  H   UNL     1       1.001  -6.100  -0.451  1.00  0.00           H  
HETATM   47  H   UNL     1       4.637   3.138  -0.132  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.527  -6.942  -1.599  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.576  -7.750  -0.321  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.078  -6.641   0.119  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.830  -6.779   1.397  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.269  -4.411   1.401  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.469  -4.362  -0.382  1.00  0.00           H  
HETATM   54  H   UNL     1       7.350   5.152   1.114  1.00  0.00           H  
HETATM   55  H   UNL     1       6.250   5.090  -0.284  1.00  0.00           H  
HETATM   56  H   UNL     1       5.600   4.944   1.366  1.00  0.00           H  
HETATM   57  H   UNL     1       6.802   2.794   1.650  1.00  0.00           H  
HETATM   58  H   UNL     1       7.452   2.940  -0.001  1.00  0.00           H  
CONECT    1    5    5    9    2                                       
CONECT    2    1    3    3   19                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5                                                 
CONECT    5    1    1    4    6                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6   21    8                                            
CONECT    8    7    9   34   35                                       
CONECT    9    1    8   36   37                                       
CONECT   10    3   11   38                                            
CONECT   11   10   18   18   12                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17   43                                       
CONECT   17   13   16                                                 
CONECT   18   11   11                                                 
CONECT   19    2   20   29   29                                       
CONECT   20   19   22                                                 
CONECT   21    7   26   26   24                                       
CONECT   22   20   28   23   44                                       
CONECT   23   22   25   45   46                                       
CONECT   24   21   31   47                                            
CONECT   25   23   27   48   49                                       
CONECT   26   21   21                                                 
CONECT   27   25   28   50   51                                       
CONECT   28   22   27   52   53                                       
CONECT   29   19   19                                                 
CONECT   30   31   54   55   56                                       
CONECT   31   24   30   57   58                                       
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
