COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.686   1.409   2.322  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.470   2.319   2.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.011   1.519   0.953  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.741   2.280  -0.124  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.861   1.957  -0.437  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.072   3.443  -0.809  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.200   0.340   0.481  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.712  -0.757   0.404  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.905   0.504   0.144  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.093  -0.656  -0.230  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.290  -0.960  -1.716  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.758  -1.300  -1.977  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.894   0.265  -2.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.412  -2.149  -2.114  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.639  -0.358   0.034  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.216   0.769  -0.112  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.811  -1.343   0.433  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.170  -2.766   0.566  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.158  -3.336   1.592  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.561  -3.037   2.930  1.00  0.00           O  
HETATM   21  C   UNL     1       0.135  -2.565   1.215  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.397  -1.177   0.800  1.00  0.00           C  
HETATM   23  C   UNL     1       0.388  -0.658  -0.377  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.173  -0.433  -1.428  1.00  0.00           O  
HETATM   25  N   UNL     1       1.714  -0.444  -0.261  1.00  0.00           N  
HETATM   26  C   UNL     1       2.477   0.061  -1.405  1.00  0.00           C  
HETATM   27  C   UNL     1       3.925   0.212  -1.016  1.00  0.00           C  
HETATM   28  C   UNL     1       4.800  -0.846  -1.193  1.00  0.00           C  
HETATM   29  C   UNL     1       6.127  -0.714  -0.838  1.00  0.00           C  
HETATM   30  C   UNL     1       4.376   1.409  -0.489  1.00  0.00           C  
HETATM   31  C   UNL     1       5.700   1.554  -0.131  1.00  0.00           C  
HETATM   32  C   UNL     1       6.586   0.489  -0.301  1.00  0.00           C  
HETATM   33  C   UNL     1       8.007   0.637   0.081  1.00  0.00           C  
HETATM   34  S   UNL     1       9.399   0.185  -0.901  1.00  0.00           S  
HETATM   35  C   UNL     1      10.455   0.715   0.335  1.00  0.00           C  
HETATM   36  N   UNL     1       9.781   1.166   1.339  1.00  0.00           N  
HETATM   37  C   UNL     1       8.470   1.148   1.242  1.00  0.00           C  
HETATM   38  C   UNL     1       7.561   1.644   2.338  1.00  0.00           C  
HETATM   39  H   UNL     1      -7.544   0.484   2.881  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.658   1.887   2.443  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.641   3.395   2.142  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.527   1.992   2.580  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.043   3.527  -0.461  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.079   3.282  -1.888  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.611   4.361  -0.575  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.512   1.390   0.148  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.399  -1.520   0.361  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.383  -0.453  -1.694  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.898  -1.516  -3.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.040  -2.172  -1.388  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.848   0.507  -2.357  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.034   0.049  -3.603  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.519   1.112  -2.260  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.742  -3.039  -1.579  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.497  -2.319  -3.188  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.374  -1.935  -1.861  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.188  -2.867   0.942  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.068  -3.275  -0.393  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.026  -4.410   1.456  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.414  -3.418   3.177  1.00  0.00           H  
HETATM   61  H   UNL     1       0.803  -2.482   2.072  1.00  0.00           H  
HETATM   62  H   UNL     1       0.637  -3.051   0.379  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.315  -0.483   1.637  1.00  0.00           H  
HETATM   64  H   UNL     1       2.163  -0.624   0.580  1.00  0.00           H  
HETATM   65  H   UNL     1       2.395  -0.642  -2.235  1.00  0.00           H  
HETATM   66  H   UNL     1       2.080   1.029  -1.709  1.00  0.00           H  
HETATM   67  H   UNL     1       4.443  -1.776  -1.609  1.00  0.00           H  
HETATM   68  H   UNL     1       6.808  -1.540  -0.976  1.00  0.00           H  
HETATM   69  H   UNL     1       3.689   2.232  -0.357  1.00  0.00           H  
HETATM   70  H   UNL     1       6.050   2.489   0.280  1.00  0.00           H  
HETATM   71  H   UNL     1      11.533   0.676   0.283  1.00  0.00           H  
HETATM   72  H   UNL     1       7.285   2.680   2.139  1.00  0.00           H  
HETATM   73  H   UNL     1       6.662   1.029   2.371  1.00  0.00           H  
HETATM   74  H   UNL     1       8.079   1.583   3.295  1.00  0.00           H  
CONECT    1    3    2   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3    7    4    2    1                                       
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4   43   44   45                                       
CONECT    7    9    8    8    3                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   46                                            
CONECT   10   15   11    9   47                                       
CONECT   11   14   10   12   13                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   51   52   53                                       
CONECT   14   11   54   55   56                                       
CONECT   15   17   16   16   10                                       
CONECT   16   15   15                                                 
CONECT   17   22   18   15                                            
CONECT   18   19   17   57   58                                       
CONECT   19   21   20   18   59                                       
CONECT   20   19   60                                                 
CONECT   21   22   19   61   62                                       
CONECT   22   21   23   17   63                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   64                                            
CONECT   26   27   25   65   66                                       
CONECT   27   28   28   30   26                                       
CONECT   28   29   27   27   67                                       
CONECT   29   32   32   28   68                                       
CONECT   30   31   31   27   69                                       
CONECT   31   32   30   30   70                                       
CONECT   32   33   29   29   31                                       
CONECT   33   37   37   34   32                                       
CONECT   34   35   33                                                 
CONECT   35   36   36   34   71                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   33   33                                       
CONECT   38   37   72   73   74                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
