COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.148   2.844  -1.315  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.868   1.864  -0.386  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.776   0.944  -1.211  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.251  -0.145  -0.347  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.570  -0.382  -0.205  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.377   0.307  -0.793  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.043  -1.502   0.685  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.572  -1.555   0.670  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.262  -0.972   0.359  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.354  -0.052   1.185  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.879   1.037   0.320  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.537   1.278   0.175  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.071   2.518   0.127  1.00  0.00           N  
HETATM   14  C   UNL     1       0.229   2.771  -0.014  1.00  0.00           C  
HETATM   15  O   UNL     1       0.594   3.934  -0.051  1.00  0.00           O  
HETATM   16  N   UNL     1       1.157   1.804  -0.116  1.00  0.00           N  
HETATM   17  C   UNL     1       2.507   2.146  -0.261  1.00  0.00           C  
HETATM   18  C   UNL     1       3.058   2.327  -1.528  1.00  0.00           C  
HETATM   19  C   UNL     1       2.217   2.159  -2.766  1.00  0.00           C  
HETATM   20  C   UNL     1       4.398   2.665  -1.620  1.00  0.00           C  
HETATM   21  C   UNL     1       5.139   2.811  -0.462  1.00  0.00           C  
HETATM   22  N   UNL     1       4.588   2.633   0.723  1.00  0.00           N  
HETATM   23  C   UNL     1       3.315   2.316   0.855  1.00  0.00           C  
HETATM   24  C   UNL     1       2.732   2.131   2.233  1.00  0.00           C  
HETATM   25  C   UNL     1       3.480   1.009   2.956  1.00  0.00           C  
HETATM   26  C   UNL     1       2.874   3.432   3.026  1.00  0.00           C  
HETATM   27  C   UNL     1       0.786   0.474  -0.078  1.00  0.00           C  
HETATM   28  N   UNL     1       1.676  -0.498  -0.170  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.582   0.168   0.076  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.992  -1.168   0.119  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.033  -2.142   0.008  1.00  0.00           C  
HETATM   32  F   UNL     1      -0.380  -3.447   0.044  1.00  0.00           F  
HETATM   33  C   UNL     1       1.312  -1.773  -0.122  1.00  0.00           C  
HETATM   34  C   UNL     1       2.344  -2.827  -0.242  1.00  0.00           C  
HETATM   35  C   UNL     1       2.384  -3.878   0.677  1.00  0.00           C  
HETATM   36  F   UNL     1       1.479  -3.937   1.679  1.00  0.00           F  
HETATM   37  C   UNL     1       3.351  -4.859   0.559  1.00  0.00           C  
HETATM   38  C   UNL     1       4.279  -4.803  -0.465  1.00  0.00           C  
HETATM   39  C   UNL     1       4.249  -3.766  -1.380  1.00  0.00           C  
HETATM   40  C   UNL     1       3.282  -2.779  -1.280  1.00  0.00           C  
HETATM   41  O   UNL     1       3.253  -1.761  -2.178  1.00  0.00           O  
HETATM   42  H   UNL     1      -2.450   2.297  -1.949  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.880   3.357  -1.938  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.601   3.575  -0.719  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.465   2.418   0.338  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.627   1.512  -1.586  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.213   0.529  -2.047  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.643  -2.449   0.321  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.695  -1.329   1.704  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.920  -1.728  -0.348  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.914  -2.365   1.314  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.972  -0.609   1.035  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.775  -1.670   1.021  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.665  -1.526  -0.365  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.917   0.363   2.021  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.504  -0.620   1.562  1.00  0.00           H  
HETATM   57  H   UNL     1       2.263   1.122  -3.099  1.00  0.00           H  
HETATM   58  H   UNL     1       1.183   2.423  -2.542  1.00  0.00           H  
HETATM   59  H   UNL     1       2.596   2.811  -3.554  1.00  0.00           H  
HETATM   60  H   UNL     1       4.859   2.813  -2.586  1.00  0.00           H  
HETATM   61  H   UNL     1       6.185   3.074  -0.528  1.00  0.00           H  
HETATM   62  H   UNL     1       1.677   1.870   2.149  1.00  0.00           H  
HETATM   63  H   UNL     1       3.058   0.875   3.952  1.00  0.00           H  
HETATM   64  H   UNL     1       3.379   0.083   2.391  1.00  0.00           H  
HETATM   65  H   UNL     1       4.535   1.271   3.040  1.00  0.00           H  
HETATM   66  H   UNL     1       2.341   4.231   2.510  1.00  0.00           H  
HETATM   67  H   UNL     1       2.452   3.298   4.022  1.00  0.00           H  
HETATM   68  H   UNL     1       3.928   3.694   3.109  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.034  -1.426   0.236  1.00  0.00           H  
HETATM   70  H   UNL     1       3.383  -5.672   1.270  1.00  0.00           H  
HETATM   71  H   UNL     1       5.032  -5.573  -0.551  1.00  0.00           H  
HETATM   72  H   UNL     1       4.974  -3.732  -2.179  1.00  0.00           H  
HETATM   73  H   UNL     1       2.707  -1.939  -2.956  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3   11    1   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3    5    9                                            
CONECT    5    7    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   48   49                                       
CONECT    8    7   50   51   52                                       
CONECT    9   10    4   53   54                                       
CONECT   10   11    9   55   56                                       
CONECT   11    2   12   10                                            
CONECT   12   29   13   13   11                                       
CONECT   13   12   12   14                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   27   17   14                                            
CONECT   17   18   16   23   23                                       
CONECT   18   19   20   20   17                                       
CONECT   19   18   57   58   59                                       
CONECT   20   18   18   21   60                                       
CONECT   21   20   22   22   61                                       
CONECT   22   21   21   23                                            
CONECT   23   17   17   22   24                                       
CONECT   24   23   25   26   62                                       
CONECT   25   24   63   64   65                                       
CONECT   26   24   66   67   68                                       
CONECT   27   28   28   29   16                                       
CONECT   28   33   27   27                                            
CONECT   29   30   30   27   12                                       
CONECT   30   31   29   29   69                                       
CONECT   31   32   33   33   30                                       
CONECT   32   31                                                      
CONECT   33   34   31   31   28                                       
CONECT   34   40   33   35   35                                       
CONECT   35   34   34   37   36                                       
CONECT   36   35                                                      
CONECT   37   38   38   35   70                                       
CONECT   38   39   37   37   71                                       
CONECT   39   40   40   38   72                                       
CONECT   40   41   39   39   34                                       
CONECT   41   40   73                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
