COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.420  -0.320   0.992  1.00  0.00           C  
HETATM    2  C   UNL     1       3.127   1.521   0.187  1.00  0.00           C  
HETATM    3  C   UNL     1       1.173   0.391  -2.774  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.552   0.482  -1.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.074  -1.438  -0.924  1.00  0.00           C  
HETATM    6  C   UNL     1       1.368   2.870   3.098  1.00  0.00           C  
HETATM    7  O   UNL     1       1.750   2.678   1.734  1.00  0.00           O  
HETATM    8  C   UNL     1       2.638   1.685   1.477  1.00  0.00           C  
HETATM    9  N   UNL     1       3.021   0.883   2.457  1.00  0.00           N  
HETATM   10  C   UNL     1       3.884  -0.092   2.259  1.00  0.00           C  
HETATM   11  C   UNL     1       4.031   0.508  -0.069  1.00  0.00           C  
HETATM   12  S   UNL     1       2.606   2.598  -1.107  1.00  0.00           S  
HETATM   13  O   UNL     1       2.727   3.920  -0.602  1.00  0.00           O  
HETATM   14  O   UNL     1       3.262   2.153  -2.287  1.00  0.00           O  
HETATM   15  N   UNL     1       0.989   2.333  -1.343  1.00  0.00           N  
HETATM   16  C   UNL     1       0.538   1.072  -1.742  1.00  0.00           C  
HETATM   17  N   UNL     1       0.757  -0.799  -3.158  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.267  -1.398  -2.586  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.957  -0.786  -1.539  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.989  -1.973  -0.420  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.137  -2.644   0.212  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.341  -1.819   0.043  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.546  -2.556   0.447  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.782  -1.693   0.182  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.664  -0.431   0.927  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.459   0.306   0.522  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.223  -0.557   0.788  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.868   0.394   0.757  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.762   1.637   1.643  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.992   0.820  -0.707  1.00  0.00           C  
HETATM   31  C   UNL     1       5.389  -1.414   0.773  1.00  0.00           C  
HETATM   32  C   UNL     1       5.048  -2.418  -0.008  1.00  0.00           C  
HETATM   33  C   UNL     1       5.962  -3.578  -0.283  1.00  0.00           C  
HETATM   34  O   UNL     1       7.299  -3.251   0.101  1.00  0.00           O  
HETATM   35  C   UNL     1       7.389  -2.724   1.431  1.00  0.00           C  
HETATM   36  C   UNL     1       6.733  -1.339   1.445  1.00  0.00           C  
HETATM   37  H   UNL     1       2.017   0.845  -3.271  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.064   0.985  -0.304  1.00  0.00           H  
HETATM   39  H   UNL     1       2.251   3.105   3.693  1.00  0.00           H  
HETATM   40  H   UNL     1       0.656   3.693   3.163  1.00  0.00           H  
HETATM   41  H   UNL     1       0.906   1.959   3.477  1.00  0.00           H  
HETATM   42  H   UNL     1       4.180  -0.721   3.085  1.00  0.00           H  
HETATM   43  H   UNL     1       4.428   0.358  -1.062  1.00  0.00           H  
HETATM   44  H   UNL     1       0.354   3.054  -1.205  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.576  -2.374  -2.931  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.294  -3.615  -0.257  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.938  -2.782   1.275  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.617  -3.480  -0.127  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.488  -2.792   1.510  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.854  -1.480  -0.885  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.675  -2.226   0.508  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.516   0.541  -0.541  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.388   1.229   1.096  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.151  -0.770   1.854  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.330  -0.024   0.461  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.747  -0.183   1.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.883   2.214   1.357  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.655   2.249   1.518  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.674   1.334   2.686  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.113   1.397  -0.993  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.067  -0.066  -1.338  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.885   1.432  -0.832  1.00  0.00           H  
HETATM   63  H   UNL     1       4.071  -2.407  -0.470  1.00  0.00           H  
HETATM   64  H   UNL     1       5.625  -4.446   0.284  1.00  0.00           H  
HETATM   65  H   UNL     1       5.939  -3.812  -1.347  1.00  0.00           H  
HETATM   66  H   UNL     1       6.871  -3.387   2.123  1.00  0.00           H  
HETATM   67  H   UNL     1       8.436  -2.638   1.721  1.00  0.00           H  
HETATM   68  H   UNL     1       7.365  -0.628   0.914  1.00  0.00           H  
HETATM   69  H   UNL     1       6.604  -1.011   2.477  1.00  0.00           H  
CONECT    1   11   11   10   31                                       
CONECT    2   12    8    8   11                                       
CONECT    3   16   17   17   37                                       
CONECT    4   16   16   19   38                                       
CONECT    5   19   20   20   20                                       
CONECT    6    7   39   40   41                                       
CONECT    7    6    8                                                 
CONECT    8    7    2    2    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9    1   42                                       
CONECT   11    2    1    1   43                                       
CONECT   12   14   14   13   13                                       
CONECT   12   15    2                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   44                                            
CONECT   16   15    4    4    3                                       
CONECT   17    3    3   18                                            
CONECT   18   19   19   17   45                                       
CONECT   19    4   18   18    5                                       
CONECT   20    5    5    5   21                                       
CONECT   21   22   20   46   47                                       
CONECT   22   27   23   21                                            
CONECT   23   24   22   48   49                                       
CONECT   24   25   23   50   51                                       
CONECT   25   28   26   24                                            
CONECT   26   25   27   52   53                                       
CONECT   27   26   22   54   55                                       
CONECT   28   29   30   25   56                                       
CONECT   29   28   57   58   59                                       
CONECT   30   28   60   61   62                                       
CONECT   31    1   32   32   36                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   64   65                                       
CONECT   34   33   35                                                 
CONECT   35   36   34   66   67                                       
CONECT   36   31   35   68   69                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
