COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.335   2.486   0.197  1.00  0.00           C  
HETATM    2  O   UNL     1       3.709   3.006   1.234  1.00  0.00           O  
HETATM    3  C   UNL     1       2.365   3.261  -0.657  1.00  0.00           C  
HETATM    4  C   UNL     1       2.807   3.272  -2.114  1.00  0.00           C  
HETATM    5  C   UNL     1       2.402   4.727  -0.158  1.00  0.00           C  
HETATM    6  C   UNL     1       0.946   2.753  -0.455  1.00  0.00           C  
HETATM    7  C   UNL     1       0.361   1.985  -1.627  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.426   0.797  -1.100  1.00  0.00           C  
HETATM    9  C   UNL     1       6.151  -1.331   1.499  1.00  0.00           C  
HETATM   10  C   UNL     1       3.290  -2.950   0.464  1.00  0.00           C  
HETATM   11  C   UNL     1       1.876  -3.416   0.810  1.00  0.00           C  
HETATM   12  C   UNL     1       3.720  -1.867   1.462  1.00  0.00           C  
HETATM   13  C   UNL     1       2.125  -4.899  -1.304  1.00  0.00           C  
HETATM   14  C   UNL     1       4.804  -0.988   0.842  1.00  0.00           C  
HETATM   15  C   UNL     1       1.209  -4.065  -0.401  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001  -3.388  -1.041  1.00  0.00           C  
HETATM   17  C   UNL     1       2.771   0.222  -0.697  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.618  -2.214  -0.331  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.767  -1.092  -0.870  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.199   0.160  -0.799  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.446   0.472  -0.070  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.891   1.733   0.121  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.292  -0.063   1.062  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.300  -0.973   1.714  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -1.393  -1.488  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.512  -2.066  -0.466  1.00  0.00           C  
HETATM   27  C   UNL     1       4.509   0.491   1.075  1.00  0.00           C  
HETATM   28  C   UNL     1       3.874   1.131  -0.163  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.231  -0.462   0.450  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.794  -0.163  -1.991  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.129  -4.554  -0.224  1.00  0.00           O  
HETATM   32  O   UNL     1       3.647   0.652   2.202  1.00  0.00           O  
HETATM   33  O   UNL     1       0.093   3.876  -0.168  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.695   0.732   0.077  1.00  0.00           O  
HETATM   35  S   UNL     1      -6.397   1.642   1.029  1.00  0.00           S  
HETATM   36  H   UNL     1       2.858   2.249  -2.486  1.00  0.00           H  
HETATM   37  H   UNL     1       2.088   3.839  -2.707  1.00  0.00           H  
HETATM   38  H   UNL     1       3.789   3.737  -2.192  1.00  0.00           H  
HETATM   39  H   UNL     1       3.413   5.122  -0.265  1.00  0.00           H  
HETATM   40  H   UNL     1       1.713   5.329  -0.750  1.00  0.00           H  
HETATM   41  H   UNL     1       2.107   4.762   0.891  1.00  0.00           H  
HETATM   42  H   UNL     1       0.932   2.108   0.438  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.331   2.629  -2.180  1.00  0.00           H  
HETATM   44  H   UNL     1       1.101   1.593  -2.313  1.00  0.00           H  
HETATM   45  H   UNL     1       6.382  -2.382   1.326  1.00  0.00           H  
HETATM   46  H   UNL     1       6.935  -0.710   1.066  1.00  0.00           H  
HETATM   47  H   UNL     1       6.090  -1.144   2.572  1.00  0.00           H  
HETATM   48  H   UNL     1       3.982  -3.791   0.536  1.00  0.00           H  
HETATM   49  H   UNL     1       3.313  -2.541  -0.543  1.00  0.00           H  
HETATM   50  H   UNL     1       1.931  -4.147   1.623  1.00  0.00           H  
HETATM   51  H   UNL     1       1.283  -2.564   1.146  1.00  0.00           H  
HETATM   52  H   UNL     1       2.848  -1.278   1.734  1.00  0.00           H  
HETATM   53  H   UNL     1       4.117  -2.351   2.358  1.00  0.00           H  
HETATM   54  H   UNL     1       2.883  -5.393  -0.697  1.00  0.00           H  
HETATM   55  H   UNL     1       1.533  -5.650  -1.827  1.00  0.00           H  
HETATM   56  H   UNL     1       2.609  -4.247  -2.031  1.00  0.00           H  
HETATM   57  H   UNL     1       4.889  -1.197  -0.223  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.138  -3.513  -2.117  1.00  0.00           H  
HETATM   59  H   UNL     1       2.010   0.084   0.071  1.00  0.00           H  
HETATM   60  H   UNL     1       2.319   0.677  -1.579  1.00  0.00           H  
HETATM   61  H   UNL     1       3.196  -0.745  -0.966  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.602  -2.180  -0.799  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.142  -3.169  -0.553  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.725  -2.103   0.748  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.638   0.952  -1.273  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.408   2.636  -0.222  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.017  -1.145   2.752  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.285  -0.508   1.678  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.328  -1.925   1.183  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.580  -2.082  -2.329  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.074  -2.264   0.448  1.00  0.00           H  
HETATM   72  H   UNL     1       0.329  -1.414  -0.241  1.00  0.00           H  
HETATM   73  H   UNL     1       5.453   1.009   1.285  1.00  0.00           H  
HETATM   74  H   UNL     1       4.648   1.244  -0.930  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.636  -0.037  -2.948  1.00  0.00           H  
HETATM   76  H   UNL     1       4.042   0.379   3.042  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.834   3.639  -0.025  1.00  0.00           H  
CONECT    1   28    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    5    1    4    6                                       
CONECT    4    3   36   37   38                                       
CONECT    5    3   39   40   41                                       
CONECT    6    3   33    7   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7   30   34   34                                       
CONECT    9   14   45   46   47                                       
CONECT   10   12   11   48   49                                       
CONECT   11   10   15   50   51                                       
CONECT   12   14   10   52   53                                       
CONECT   13   15   54   55   56                                       
CONECT   14   27   12    9   57                                       
CONECT   15   11   31   16   13                                       
CONECT   16   31   26   15   58                                       
CONECT   17   28   59   60   61                                       
CONECT   18   19   62   63   64                                       
CONECT   19   18   25   20   20                                       
CONECT   20   19   19   21   65                                       
CONECT   21   22   22   20   29                                       
CONECT   22   21   21   35   66                                       
CONECT   23   35   29   29   24                                       
CONECT   24   23   67   68   69                                       
CONECT   25   30   26   19   70                                       
CONECT   26   16   25   71   72                                       
CONECT   27   32   28   14   73                                       
CONECT   28   17   27    1   74                                       
CONECT   29   21   23   23                                            
CONECT   30    8   25   75                                            
CONECT   31   15   16                                                 
CONECT   32   27   76                                                 
CONECT   33    6   77                                                 
CONECT   34    8    8                                                 
CONECT   35   22   23                                                 
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
