COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.025  -1.810   7.777  1.00  0.00           C  
HETATM    2  O   UNL     1       4.606  -1.273   6.518  1.00  0.00           O  
HETATM    3  C   UNL     1       3.366  -0.699   6.507  1.00  0.00           C  
HETATM    4  O   UNL     1       2.608  -0.611   7.462  1.00  0.00           O  
HETATM    5  C   UNL     1       3.079  -0.184   5.115  1.00  0.00           C  
HETATM    6  C   UNL     1       1.689   0.452   5.005  1.00  0.00           C  
HETATM    7  C   UNL     1       1.396   0.955   3.632  1.00  0.00           C  
HETATM    8  C   UNL     1       1.726   2.265   3.285  1.00  0.00           C  
HETATM    9  C   UNL     1       1.452   2.737   2.001  1.00  0.00           C  
HETATM   10  C   UNL     1       0.847   1.898   1.065  1.00  0.00           C  
HETATM   11  C   UNL     1       0.540   0.621   1.448  1.00  0.00           C  
HETATM   12  C   UNL     1       0.792   0.116   2.695  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.087  -0.251   0.475  1.00  0.00           N  
HETATM   14  C   UNL     1       0.271  -1.676   0.540  1.00  0.00           C  
HETATM   15  C   UNL     1       1.755  -1.887   0.445  1.00  0.00           C  
HETATM   16  C   UNL     1       2.488  -1.195  -0.511  1.00  0.00           C  
HETATM   17  C   UNL     1       3.866  -1.391  -0.599  1.00  0.00           C  
HETATM   18  C   UNL     1       4.501  -2.278   0.271  1.00  0.00           C  
HETATM   19  C   UNL     1       3.758  -2.969   1.227  1.00  0.00           C  
HETATM   20  C   UNL     1       2.380  -2.773   1.315  1.00  0.00           C  
HETATM   21  C   UNL     1       5.931  -2.482   0.179  1.00  0.00           C  
HETATM   22  C   UNL     1       6.577  -2.346  -1.049  1.00  0.00           C  
HETATM   23  C   UNL     1       7.955  -2.543  -1.138  1.00  0.00           C  
HETATM   24  C   UNL     1       8.687  -2.876   0.001  1.00  0.00           C  
HETATM   25  C   UNL     1       8.041  -3.012   1.230  1.00  0.00           C  
HETATM   26  C   UNL     1       6.663  -2.814   1.319  1.00  0.00           C  
HETATM   27  N   UNL     1      10.080  -3.075  -0.089  1.00  0.00           N  
HETATM   28  C   UNL     1      10.860  -2.361  -1.081  1.00  0.00           C  
HETATM   29  C   UNL     1      10.752  -3.984   0.817  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.922   0.262  -0.538  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.267   1.440  -0.661  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.392  -0.718  -1.572  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.714  -1.349  -1.129  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.278  -2.284  -2.196  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.417  -1.582  -3.544  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.098  -0.957  -3.989  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.531  -0.019  -2.927  1.00  0.00           C  
HETATM   38  H   UNL     1       6.071  -2.120   7.712  1.00  0.00           H  
HETATM   39  H   UNL     1       4.396  -2.666   8.036  1.00  0.00           H  
HETATM   40  H   UNL     1       4.922  -1.040   8.544  1.00  0.00           H  
HETATM   41  H   UNL     1       3.847   0.556   4.860  1.00  0.00           H  
HETATM   42  H   UNL     1       3.158  -1.025   4.416  1.00  0.00           H  
HETATM   43  H   UNL     1       1.605   1.272   5.735  1.00  0.00           H  
HETATM   44  H   UNL     1       0.928  -0.282   5.310  1.00  0.00           H  
HETATM   45  H   UNL     1       2.198   2.925   4.008  1.00  0.00           H  
HETATM   46  H   UNL     1       1.708   3.757   1.731  1.00  0.00           H  
HETATM   47  H   UNL     1       0.638   2.277   0.067  1.00  0.00           H  
HETATM   48  H   UNL     1       0.535  -0.905   2.968  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.245  -2.191  -0.277  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.124  -2.078   1.479  1.00  0.00           H  
HETATM   51  H   UNL     1       2.002  -0.502  -1.193  1.00  0.00           H  
HETATM   52  H   UNL     1       4.432  -0.844  -1.349  1.00  0.00           H  
HETATM   53  H   UNL     1       4.238  -3.665   1.912  1.00  0.00           H  
HETATM   54  H   UNL     1       1.808  -3.314   2.065  1.00  0.00           H  
HETATM   55  H   UNL     1       6.020  -2.087  -1.947  1.00  0.00           H  
HETATM   56  H   UNL     1       8.448  -2.435  -2.101  1.00  0.00           H  
HETATM   57  H   UNL     1       8.602  -3.271   2.125  1.00  0.00           H  
HETATM   58  H   UNL     1       6.173  -2.925   2.284  1.00  0.00           H  
HETATM   59  H   UNL     1      11.889  -2.240  -0.733  1.00  0.00           H  
HETATM   60  H   UNL     1      10.431  -1.371  -1.259  1.00  0.00           H  
HETATM   61  H   UNL     1      10.869  -2.914  -2.024  1.00  0.00           H  
HETATM   62  H   UNL     1      10.983  -4.922   0.305  1.00  0.00           H  
HETATM   63  H   UNL     1      10.113  -4.202   1.677  1.00  0.00           H  
HETATM   64  H   UNL     1      11.684  -3.540   1.176  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.449  -0.564  -0.909  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.254  -2.664  -1.875  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.184  -0.802  -3.471  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.371  -1.751  -4.200  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.556   0.360  -3.255  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.624  -1.497  -1.643  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.185   0.858  -2.830  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.249  -0.406  -4.925  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.759  -2.298  -4.299  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.617  -3.153  -2.304  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.569  -1.905  -0.195  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   45                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   13                                       
CONECT   12    7   11   11   48                                       
CONECT   13   11   14   30                                            
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   53                                       
CONECT   20   15   19   19   54                                       
CONECT   21   18   22   22   26                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   25   27                                       
CONECT   25   24   26   26   57                                       
CONECT   26   21   25   25   58                                       
CONECT   27   24   28   29                                            
CONECT   28   27   59   60   61                                       
CONECT   29   27   62   63   64                                       
CONECT   30   13   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   37   70                                       
CONECT   33   32   34   65   75                                       
CONECT   34   33   35   66   74                                       
CONECT   35   34   36   67   73                                       
CONECT   36   35   37   68   72                                       
CONECT   37   32   36   69   71                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   32                                                      
CONECT   71   37                                                      
CONECT   72   36                                                      
CONECT   73   35                                                      
CONECT   74   34                                                      
CONECT   75   33                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
