COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.765   0.551  -2.211  1.00  0.00           C  
HETATM    2  C   UNL     1       6.944  -0.920  -0.570  1.00  0.00           C  
HETATM    3  C   UNL     1       4.469  -0.791  -0.579  1.00  0.00           C  
HETATM    4  C   UNL     1       3.905   0.346   1.541  1.00  0.00           C  
HETATM    5  C   UNL     1       0.420  -3.213   0.872  1.00  0.00           C  
HETATM    6  C   UNL     1       2.763  -2.784   1.121  1.00  0.00           C  
HETATM    7  C   UNL     1       0.236  -1.925   0.365  1.00  0.00           C  
HETATM    8  O   UNL     1       6.417   2.573  -1.353  1.00  0.00           O  
HETATM    9  C   UNL     1       6.165   2.338  -0.191  1.00  0.00           C  
HETATM   10  C   UNL     1       6.288   3.428   0.843  1.00  0.00           C  
HETATM   11  N   UNL     1       5.773   1.102   0.177  1.00  0.00           N  
HETATM   12  C   UNL     1       5.363   0.808   1.560  1.00  0.00           C  
HETATM   13  C   UNL     1       5.736  -0.007  -0.787  1.00  0.00           C  
HETATM   14  O   UNL     1       4.143  -1.598  -1.424  1.00  0.00           O  
HETATM   15  N   UNL     1       3.690  -0.643   0.494  1.00  0.00           N  
HETATM   16  C   UNL     1       2.590  -1.498   0.622  1.00  0.00           C  
HETATM   17  C   UNL     1       1.680  -3.632   1.250  1.00  0.00           C  
HETATM   18  C   UNL     1       1.329  -1.067   0.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.111  -1.473  -0.041  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.420  -0.231  -0.554  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.800  -0.207  -0.807  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.303  -1.457  -0.435  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.592  -2.029  -0.451  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.672  -1.303  -0.912  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.754  -3.271  -0.021  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.730  -3.993   0.427  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.513  -3.522   0.468  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.250  -2.217   0.027  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.574   0.922  -1.361  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.396   0.887  -2.467  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.929   2.165  -2.638  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.463   2.944  -1.695  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.613   2.195  -0.872  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.888   2.691   0.301  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.802   2.636   1.526  1.00  0.00           C  
HETATM   36  F   UNL     1      -4.202   1.314   1.751  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.110   3.111   2.646  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.931   3.433   1.303  1.00  0.00           F  
HETATM   39  H   UNL     1       6.733   1.016  -2.400  1.00  0.00           H  
HETATM   40  H   UNL     1       5.607  -0.260  -2.923  1.00  0.00           H  
HETATM   41  H   UNL     1       4.976   1.294  -2.327  1.00  0.00           H  
HETATM   42  H   UNL     1       7.862  -0.350  -0.717  1.00  0.00           H  
HETATM   43  H   UNL     1       6.922  -1.317   0.445  1.00  0.00           H  
HETATM   44  H   UNL     1       6.911  -1.744  -1.283  1.00  0.00           H  
HETATM   45  H   UNL     1       3.655  -0.093   2.506  1.00  0.00           H  
HETATM   46  H   UNL     1       3.259   1.206   1.361  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.424  -3.878   0.974  1.00  0.00           H  
HETATM   48  H   UNL     1       3.746  -3.118   1.418  1.00  0.00           H  
HETATM   49  H   UNL     1       5.323   3.917   0.972  1.00  0.00           H  
HETATM   50  H   UNL     1       6.607   2.995   1.791  1.00  0.00           H  
HETATM   51  H   UNL     1       7.025   4.160   0.512  1.00  0.00           H  
HETATM   52  H   UNL     1       5.457   1.706   2.171  1.00  0.00           H  
HETATM   53  H   UNL     1       5.994   0.018   1.967  1.00  0.00           H  
HETATM   54  H   UNL     1       1.819  -4.627   1.647  1.00  0.00           H  
HETATM   55  H   UNL     1       1.193  -0.068  -0.148  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.725   0.577  -0.730  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.523  -1.743  -1.066  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.581  -0.352  -1.081  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.911  -5.001   0.768  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.592   0.026  -3.088  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.612   2.463  -3.420  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.010   2.071   0.474  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.577   3.721   0.126  1.00  0.00           H  
CONECT    1   13   39   40   41                                       
CONECT    2   13   42   43   44                                       
CONECT    3   13   14   14   15                                       
CONECT    4   15   12   45   46                                       
CONECT    5    7    7   17   47                                       
CONECT    6   16   17   17   48                                       
CONECT    7   19   18    5    5                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   11                                       
CONECT   10    9   49   50   51                                       
CONECT   11    9   13   12                                            
CONECT   12   11    4   52   53                                       
CONECT   13    1   11    2    3                                       
CONECT   14    3    3                                                 
CONECT   15    3    4   16                                            
CONECT   16   15   18   18    6                                       
CONECT   17    6    6    5   54                                       
CONECT   18   16   16    7   55                                       
CONECT   19   28   20   20    7                                       
CONECT   20   21   19   19   56                                       
CONECT   21   29   22   22   20                                       
CONECT   22   23   21   21   28                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23   57   58                                            
CONECT   25   23   23   26                                            
CONECT   26   25   27   27   59                                       
CONECT   27   26   26   28                                            
CONECT   28   22   27   19                                            
CONECT   29   33   30   30   21                                       
CONECT   30   31   29   29   60                                       
CONECT   31   32   32   30   61                                       
CONECT   32   33   31   31                                            
CONECT   33   34   32   29                                            
CONECT   34   35   33   62   63                                       
CONECT   35   37   38   36   34                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
