COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.239   6.314   0.102  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.443   5.789  -0.327  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.762   4.473  -0.049  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.723   1.350  -0.172  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.177  -0.067   0.071  1.00  0.00           C  
HETATM    6  C   UNL     1       0.328   4.207   1.087  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.934  -1.725   0.386  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.439  -1.769   0.433  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.160  -1.981  -0.729  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.544  -2.022  -0.688  1.00  0.00           C  
HETATM   11  C   UNL     1       6.440  -1.249   1.557  1.00  0.00           C  
HETATM   12  C   UNL     1       6.489  -2.396   0.782  1.00  0.00           C  
HETATM   13  C   UNL     1       5.537  -1.183  -1.062  1.00  0.00           C  
HETATM   14  O   UNL     1       6.082  -3.486  -1.299  1.00  0.00           O  
HETATM   15  C   UNL     1       7.428  -3.511   2.661  1.00  0.00           C  
HETATM   16  C   UNL     1       4.942   1.239  -0.857  1.00  0.00           C  
HETATM   17  C   UNL     1       3.457   1.309  -0.613  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.479  -1.636   1.684  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.206  -1.849   0.524  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.877   3.682   0.658  1.00  0.00           C  
HETATM   21  C   UNL     1       0.647   5.523   0.810  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.224   2.247   0.962  1.00  0.00           C  
HETATM   23  N   UNL     1       0.741   1.393  -0.217  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.358  -0.953   0.193  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.492  -0.348   0.151  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.097  -1.602   1.637  1.00  0.00           C  
HETATM   27  C   UNL     1       1.378   2.396  -0.906  1.00  0.00           C  
HETATM   28  N   UNL     1       0.687   3.367  -1.430  1.00  0.00           N  
HETATM   29  N   UNL     1       2.753   2.375  -1.044  1.00  0.00           N  
HETATM   30  C   UNL     1       6.036  -2.363  -0.534  1.00  0.00           C  
HETATM   31  C   UNL     1       5.485  -0.043  -0.281  1.00  0.00           C  
HETATM   32  C   UNL     1       5.936  -0.076   1.026  1.00  0.00           C  
HETATM   33  O   UNL     1       6.980  -3.551   1.305  1.00  0.00           O  
HETATM   34  C   UNL     1       5.600  -3.378  -2.640  1.00  0.00           C  
HETATM   35  O   UNL     1       2.895   0.407  -0.030  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.565  -1.882   0.568  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.253  -2.230  -1.829  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.507  -2.399  -3.035  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.177  -1.690   1.845  1.00  0.00           C  
HETATM   40  H   UNL     1       0.012   7.341  -0.119  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.135   6.407  -0.880  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.704   4.063  -0.384  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.126   1.704  -1.121  1.00  0.00           H  
HETATM   44  H   UNL     1       1.020   3.589   1.640  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.530  -2.079   1.335  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.576  -2.364  -0.421  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.643  -2.115  -1.668  1.00  0.00           H  
HETATM   48  H   UNL     1       6.791  -1.272   2.578  1.00  0.00           H  
HETATM   49  H   UNL     1       5.185  -1.155  -2.082  1.00  0.00           H  
HETATM   50  H   UNL     1       8.232  -2.782   2.757  1.00  0.00           H  
HETATM   51  H   UNL     1       6.599  -3.225   3.309  1.00  0.00           H  
HETATM   52  H   UNL     1       7.793  -4.496   2.952  1.00  0.00           H  
HETATM   53  H   UNL     1       5.136   1.267  -1.929  1.00  0.00           H  
HETATM   54  H   UNL     1       5.429   2.088  -0.377  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.991  -1.501   2.625  1.00  0.00           H  
HETATM   56  H   UNL     1       1.589   5.932   1.142  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.306   2.147   1.053  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.752   1.949   1.898  1.00  0.00           H  
HETATM   59  H   UNL     1       1.260   0.712   0.240  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.147   0.361   0.052  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.531  -1.441   2.542  1.00  0.00           H  
HETATM   62  H   UNL     1       1.141   4.112  -1.854  1.00  0.00           H  
HETATM   63  H   UNL     1       3.211   3.126  -1.451  1.00  0.00           H  
HETATM   64  H   UNL     1       5.894   0.816   1.632  1.00  0.00           H  
HETATM   65  H   UNL     1       5.694  -4.343  -3.139  1.00  0.00           H  
HETATM   66  H   UNL     1       4.553  -3.076  -2.626  1.00  0.00           H  
HETATM   67  H   UNL     1       6.186  -2.632  -3.178  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.909  -1.507  -3.221  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.849  -3.263  -2.938  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.192  -2.557  -3.868  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.843  -2.470   2.530  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.895  -0.714   2.241  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.261  -1.739   1.740  1.00  0.00           H  
CONECT    1    2   21   21   40                                       
CONECT    2    3    3    1   41                                       
CONECT    3    2    2   20   42                                       
CONECT    4   22    5   23   43                                       
CONECT    5   25    4   24   24                                       
CONECT    6   20   20   21   44                                       
CONECT    7   25    8   45   46                                       
CONECT    8    7   26   26    9                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9   19   37                                       
CONECT   11   12   12   32   48                                       
CONECT   12   30   33   11   11                                       
CONECT   13   30   30   31   49                                       
CONECT   14   34   30                                                 
CONECT   15   33   50   51   52                                       
CONECT   16   17   31   53   54                                       
CONECT   17   29   35   35   16                                       
CONECT   18   26   19   19   55                                       
CONECT   19   18   18   10   36                                       
CONECT   20    3   22    6    6                                       
CONECT   21    1    1    6   56                                       
CONECT   22   20    4   57   58                                       
CONECT   23    4   27   59                                            
CONECT   24    5    5                                                 
CONECT   25    7    5   60                                            
CONECT   26    8    8   18   61                                       
CONECT   27   28   28   23   29                                       
CONECT   28   27   27   62                                            
CONECT   29   27   17   63                                            
CONECT   30   14   13   13   12                                       
CONECT   31   13   16   32   32                                       
CONECT   32   31   31   11   64                                       
CONECT   33   12   15                                                 
CONECT   34   14   65   66   67                                       
CONECT   35   17   17                                                 
CONECT   36   19   39                                                 
CONECT   37   10   38                                                 
CONECT   38   37   68   69   70                                       
CONECT   39   36   71   72   73                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
