COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.010   5.534  -0.883  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.161   1.643   0.424  1.00  0.00           C  
HETATM    3  C   UNL     1       0.953  -0.381   1.714  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.043  -1.193   1.400  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.413  -1.056   0.506  1.00  0.00           N  
HETATM    6  C   UNL     1       2.290  -0.839   2.237  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.665  -0.905  -0.343  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.283   1.045   0.051  1.00  0.00           N  
HETATM    9  C   UNL     1       4.432  -1.742   1.558  1.00  0.00           C  
HETATM   10  C   UNL     1       5.272  -2.130   0.337  1.00  0.00           C  
HETATM   11  C   UNL     1       4.308  -0.127  -0.860  1.00  0.00           C  
HETATM   12  C   UNL     1       3.505   0.182   0.408  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.050   3.023   0.375  1.00  0.00           N  
HETATM   14  C   UNL     1       7.225  -1.335  -2.568  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.292   3.634  -0.120  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.148   5.158  -0.102  1.00  0.00           C  
HETATM   17  N   UNL     1       3.203  -1.073   1.110  1.00  0.00           N  
HETATM   18  O   UNL     1       7.863  -1.047   0.007  1.00  0.00           O  
HETATM   19  S   UNL     1       7.002  -0.491  -0.977  1.00  0.00           S  
HETATM   20  O   UNL     1       6.918   0.915  -1.166  1.00  0.00           O  
HETATM   21  N   UNL     1       5.483  -0.929  -0.486  1.00  0.00           N  
HETATM   22  S   UNL     1       0.520   1.296   1.437  1.00  0.00           S  
HETATM   23  C   UNL     1      -1.237  -0.532   0.916  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.086   0.856   0.876  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.396  -0.280   0.095  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.718  -0.116  -0.781  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.907  -0.698  -1.192  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.065  -2.066  -1.174  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.025  -2.884  -0.739  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.879  -4.241  -0.608  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.810  -2.308  -0.324  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.956  -3.371   0.048  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.594  -4.495  -0.113  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.783   4.957  -0.428  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.904   3.431  -0.450  1.00  0.00           C  
HETATM   36  H   UNL     1       0.029  -2.266   1.497  1.00  0.00           H  
HETATM   37  H   UNL     1       2.707  -0.071   2.889  1.00  0.00           H  
HETATM   38  H   UNL     1       2.163  -1.763   2.800  1.00  0.00           H  
HETATM   39  H   UNL     1       4.173  -2.639   2.121  1.00  0.00           H  
HETATM   40  H   UNL     1       5.003  -1.066   2.193  1.00  0.00           H  
HETATM   41  H   UNL     1       6.235  -2.522   0.665  1.00  0.00           H  
HETATM   42  H   UNL     1       4.745  -2.885  -0.246  1.00  0.00           H  
HETATM   43  H   UNL     1       3.688  -0.690  -1.558  1.00  0.00           H  
HETATM   44  H   UNL     1       4.633   0.804  -1.324  1.00  0.00           H  
HETATM   45  H   UNL     1       4.090   0.831   1.059  1.00  0.00           H  
HETATM   46  H   UNL     1       2.574   0.680   0.137  1.00  0.00           H  
HETATM   47  H   UNL     1       7.139  -2.412  -2.422  1.00  0.00           H  
HETATM   48  H   UNL     1       6.459  -1.000  -3.267  1.00  0.00           H  
HETATM   49  H   UNL     1       8.211  -1.100  -2.969  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.481   3.299  -1.140  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.123   3.339   0.520  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.012   5.498   0.925  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.044   5.614  -0.522  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.611   0.959  -0.801  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.719  -0.072  -1.531  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.997  -2.505  -1.497  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.550  -4.910  -0.820  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.947  -3.267   0.417  1.00  0.00           H  
HETATM   59  H   UNL     1       0.030   5.267  -1.084  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.579   5.291   0.589  1.00  0.00           H  
HETATM   61  H   UNL     1       0.008   2.987  -0.051  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.055   3.092  -1.475  1.00  0.00           H  
CONECT    1   16   34                                                 
CONECT    2    8    8   13   24                                       
CONECT    3    4    4    6   22                                       
CONECT    4    3    3   23   36                                       
CONECT    5   23   25   25                                            
CONECT    6    3   17   37   38                                       
CONECT    7   25   26   26   31                                       
CONECT    8    2    2   25                                            
CONECT    9   10   17   39   40                                       
CONECT   10    9   21   41   42                                       
CONECT   11   12   21   43   44                                       
CONECT   12   11   17   45   46                                       
CONECT   13    2   15   35                                            
CONECT   14   19   47   48   49                                       
CONECT   15   13   16   50   51                                       
CONECT   16    1   15   52   53                                       
CONECT   17    6    9   12                                            
CONECT   18   19   19                                                 
CONECT   19   14   18   18   20                                       
CONECT   19   20   21                                                 
CONECT   20   19   19                                                 
CONECT   21   10   11   19                                            
CONECT   22    3   24                                                 
CONECT   23    4    5   24   24                                       
CONECT   24    2   22   23   23                                       
CONECT   25    5    5    7    8                                       
CONECT   26    7    7   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   33   57                                            
CONECT   31    7   29   29   32                                       
CONECT   32   31   33   33   58                                       
CONECT   33   30   32   32                                            
CONECT   34    1   35   59   60                                       
CONECT   35   13   34   61   62                                       
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
