COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.518   0.059   0.026  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.564  -0.879  -0.476  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.906   1.037  -1.087  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.753   1.778  -1.495  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.973   2.001  -0.559  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.394   2.871  -1.612  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.171   1.192  -0.053  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.142   2.077   0.508  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.696   0.208   1.019  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.683  -0.638   0.472  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.876  -0.646   1.487  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.460  -1.482   2.568  1.00  0.00           O  
HETATM   13  O   UNL     1       8.352   1.793   0.154  1.00  0.00           O  
HETATM   14  O   UNL     1       7.811  -0.141   1.323  1.00  0.00           O  
HETATM   15  O   UNL     1       6.541   1.964   1.601  1.00  0.00           O  
HETATM   16  C   UNL     1       4.939  -0.227  -0.142  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.049  -1.770   0.515  1.00  0.00           C  
HETATM   18  C   UNL     1       4.053  -0.604  -1.332  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.042  -2.724  -0.130  1.00  0.00           C  
HETATM   20  C   UNL     1       2.146  -1.949  -1.980  1.00  0.00           C  
HETATM   21  C   UNL     1       2.017  -0.529  -0.023  1.00  0.00           C  
HETATM   22  C   UNL     1       0.994  -2.799  -1.439  1.00  0.00           C  
HETATM   23  C   UNL     1       0.865  -1.379   0.517  1.00  0.00           C  
HETATM   24  C   UNL     1       6.148   0.568  -0.639  1.00  0.00           C  
HETATM   25  N   UNL     1       2.892  -1.367  -0.855  1.00  0.00           N  
HETATM   26  N   UNL     1       0.119  -1.961  -0.607  1.00  0.00           N  
HETATM   27  S   UNL     1       7.198   1.016   0.771  1.00  0.00           S  
HETATM   28  H   UNL     1      -3.083   0.611   0.859  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.302   0.483  -1.937  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.034   1.229  -1.836  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.559   2.592   0.258  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.683   3.410  -1.985  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.615   0.642  -0.883  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.484   2.733  -0.116  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.289   0.761   1.866  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.685   0.004   1.821  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.226  -1.265   0.661  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.159  -2.053   2.915  1.00  0.00           H  
HETATM   39  H   UNL     1       9.006   2.103   0.795  1.00  0.00           H  
HETATM   40  H   UNL     1       4.367   0.382   0.558  1.00  0.00           H  
HETATM   41  H   UNL     1       5.280  -1.133   0.358  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.555  -1.196   1.299  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.868  -2.345   0.948  1.00  0.00           H  
HETATM   44  H   UNL     1       3.712   0.302  -1.832  1.00  0.00           H  
HETATM   45  H   UNL     1       4.625  -1.213  -2.032  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.716  -3.460   0.604  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.512  -3.234  -0.971  1.00  0.00           H  
HETATM   48  H   UNL     1       2.813  -2.575  -2.573  1.00  0.00           H  
HETATM   49  H   UNL     1       1.747  -1.149  -2.603  1.00  0.00           H  
HETATM   50  H   UNL     1       1.616   0.287  -0.625  1.00  0.00           H  
HETATM   51  H   UNL     1       2.589  -0.120   0.810  1.00  0.00           H  
HETATM   52  H   UNL     1       0.422  -3.208  -2.272  1.00  0.00           H  
HETATM   53  H   UNL     1       1.395  -3.615  -0.837  1.00  0.00           H  
HETATM   54  H   UNL     1       1.265  -2.179   1.141  1.00  0.00           H  
HETATM   55  H   UNL     1       0.198  -0.753   1.111  1.00  0.00           H  
HETATM   56  H   UNL     1       6.720  -0.040  -1.339  1.00  0.00           H  
HETATM   57  H   UNL     1       5.807   1.474  -1.140  1.00  0.00           H  
CONECT    1    2    3   10   28                                       
CONECT    2    1   17                                                 
CONECT    3    1    4    5   29                                       
CONECT    4    3   30                                                 
CONECT    5    3    6    7   31                                       
CONECT    6    5   32                                                 
CONECT    7    5    8    9   33                                       
CONECT    8    7   34                                                 
CONECT    9    7   10   11   35                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   36   37                                       
CONECT   12   11   38                                                 
CONECT   13   27   39                                                 
CONECT   14   27   27                                                 
CONECT   15   27   27                                                 
CONECT   16   18   24   40   41                                       
CONECT   17    2   19   42   43                                       
CONECT   18   16   25   44   45                                       
CONECT   19   17   26   46   47                                       
CONECT   20   22   25   48   49                                       
CONECT   21   23   25   50   51                                       
CONECT   22   20   26   52   53                                       
CONECT   23   21   26   54   55                                       
CONECT   24   16   27   56   57                                       
CONECT   25   18   20   21                                            
CONECT   26   19   22   23                                            
CONECT   27   13   14   14   15                                       
CONECT   27   15   24                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
