COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.060   2.974   1.995  1.00  0.00           O  
HETATM    2  O   UNL     1      -5.765  -2.281   2.190  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.339  -1.646   1.331  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.688  -0.619   0.432  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.780   0.306   1.245  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.037   1.252   0.299  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.876   0.174  -0.161  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.023  -0.855  -0.059  1.00  0.00           C  
HETATM    9  C   UNL     1       4.705  -2.243  -0.011  1.00  0.00           C  
HETATM   10  O   UNL     1       2.330  -1.730  -0.174  1.00  0.00           O  
HETATM   11  C   UNL     1       4.317  -3.537   0.738  1.00  0.00           C  
HETATM   12  C   UNL     1       4.986  -3.317   2.115  1.00  0.00           C  
HETATM   13  C   UNL     1       5.096  -1.813   2.237  1.00  0.00           C  
HETATM   14  C   UNL     1       1.223  -1.355  -0.843  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.180  -0.968  -0.946  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.032  -1.954  -2.303  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.645  -1.758   1.035  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.154   0.475  -0.575  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.798  -2.271  -1.455  1.00  0.00           C  
HETATM   20  O   UNL     1       5.305  -1.214   3.271  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.602  -1.216  -3.573  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.737  -3.257  -2.684  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.162  -0.265  -0.043  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.203   2.240   1.118  1.00  0.00           C  
HETATM   25  C   UNL     1       4.969   0.208   0.796  1.00  0.00           C  
HETATM   26  C   UNL     1       6.404   0.636   0.483  1.00  0.00           C  
HETATM   27  C   UNL     1       6.852   0.075  -0.889  1.00  0.00           C  
HETATM   28  C   UNL     1       7.149   1.356  -1.732  1.00  0.00           C  
HETATM   29  C   UNL     1       8.381   1.971  -1.057  1.00  0.00           C  
HETATM   30  C   UNL     1       8.018   2.448   0.117  1.00  0.00           C  
HETATM   31  C   UNL     1       6.487   2.185   0.298  1.00  0.00           C  
HETATM   32  C   UNL     1       6.019   2.313  -1.202  1.00  0.00           C  
HETATM   33  C   UNL     1       3.566  -1.804  -0.933  1.00  0.00           C  
HETATM   34  N   UNL     1       0.043  -1.267  -0.198  1.00  0.00           N  
HETATM   35  N   UNL     1       4.931  -1.237   1.033  1.00  0.00           N  
HETATM   36  O   UNL     1      -2.058  -0.367   1.161  1.00  0.00           O  
HETATM   37  O   UNL     1       1.288  -1.096  -2.028  1.00  0.00           O  
HETATM   38  H   UNL     1      -4.546   2.422   2.623  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.121  -1.109  -0.360  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.384   0.888   1.941  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.058  -0.292   1.802  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.758   1.800  -0.307  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.092   1.059   0.438  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.685   0.445  -1.199  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.962  -0.352   0.172  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.113  -1.414  -0.990  1.00  0.00           H  
HETATM   47  H   UNL     1       5.617  -2.400  -0.587  1.00  0.00           H  
HETATM   48  H   UNL     1       3.235  -3.620   0.839  1.00  0.00           H  
HETATM   49  H   UNL     1       4.729  -4.415   0.240  1.00  0.00           H  
HETATM   50  H   UNL     1       4.361  -3.720   2.912  1.00  0.00           H  
HETATM   51  H   UNL     1       5.974  -3.777   2.137  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.940  -0.324  -1.792  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.714  -1.325  -1.731  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.260  -2.355   1.489  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.285   0.494  -1.536  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.068  -2.807  -2.062  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.090  -2.891  -0.607  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.971  -1.869  -4.176  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.485  -0.933  -4.145  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.042  -0.321  -3.301  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.043  -3.782  -1.780  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.616  -3.031  -3.288  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.055  -3.886  -3.256  1.00  0.00           H  
HETATM   64  S   UNL     1      -2.356   3.389  -0.002  1.00  0.00           S  
HETATM   65  H   UNL     1      -2.465   1.694   1.705  1.00  0.00           H  
HETATM   66  H   UNL     1       4.619   0.732   1.686  1.00  0.00           H  
HETATM   67  H   UNL     1       4.324   0.455  -0.048  1.00  0.00           H  
HETATM   68  H   UNL     1       7.081   0.308   1.271  1.00  0.00           H  
HETATM   69  H   UNL     1       7.753  -0.529  -0.780  1.00  0.00           H  
HETATM   70  H   UNL     1       6.053  -0.509  -1.344  1.00  0.00           H  
HETATM   71  H   UNL     1       7.207   1.220  -2.812  1.00  0.00           H  
HETATM   72  H   UNL     1       9.377   2.007  -1.472  1.00  0.00           H  
HETATM   73  H   UNL     1       8.666   2.941   0.826  1.00  0.00           H  
HETATM   74  H   UNL     1       5.977   2.793   1.046  1.00  0.00           H  
HETATM   75  H   UNL     1       6.131   3.326  -1.589  1.00  0.00           H  
HETATM   76  H   UNL     1       5.015   1.921  -1.362  1.00  0.00           H  
HETATM   77  H   UNL     1       3.794  -0.823  -1.351  1.00  0.00           H  
HETATM   78  H   UNL     1       3.453  -2.526  -1.741  1.00  0.00           H  
HETATM   79  H   UNL     1       0.004  -1.401   0.762  1.00  0.00           H  
HETATM   80  O   UNL     1      -3.278   3.964  -0.917  1.00  0.00           O  
HETATM   81  O   UNL     1      -1.436   4.199   0.718  1.00  0.00           O  
HETATM   82  O   UNL     1      -1.476   2.497  -0.865  1.00  0.00           O  
HETATM   83  H   UNL     1      -0.954   2.978  -1.523  1.00  0.00           H  
CONECT    1   24   38                                                 
CONECT    2    3    3                                                 
CONECT    3   17    4    2    2                                       
CONECT    4    7    3    5   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6   18    5   24   42                                       
CONECT    7    8    4   43   44                                       
CONECT    8    7   17   45   46                                       
CONECT    9   35   11   33   47                                       
CONECT   10   33   14                                                 
CONECT   11    9   12   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   20   20   35   12                                       
CONECT   14   10   34   37   37                                       
CONECT   15   34   19   23   52                                       
CONECT   16   21   19   22   53                                       
CONECT   17    8    3   54                                            
CONECT   18   23    6   55                                            
CONECT   19   16   15   56   57                                       
CONECT   20   13   13                                                 
CONECT   21   16   58   59   60                                       
CONECT   22   16   61   62   63                                       
CONECT   23   36   36   15   18                                       
CONECT   24    6    1   64   65                                       
CONECT   25   26   35   66   67                                       
CONECT   26   31   27   25   68                                       
CONECT   27   28   26   69   70                                       
CONECT   28   29   32   27   71                                       
CONECT   29   30   30   28   72                                       
CONECT   30   29   29   31   73                                       
CONECT   31   30   32   26   74                                       
CONECT   32   31   28   75   76                                       
CONECT   33    9   10   77   78                                       
CONECT   34   14   15   79                                            
CONECT   35   25   13    9                                            
CONECT   36   23   23                                                 
CONECT   37   14   14                                                 
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24   80   80   81                                       
CONECT   64   81   82                                                 
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   64   64                                                 
CONECT   81   64   64                                                 
CONECT   82   64   83                                                 
CONECT   83   82                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
