COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.241  -0.237   0.650  1.00  0.00           N  
HETATM    2  C   UNL     1       0.220   1.000   0.282  1.00  0.00           C  
HETATM    3  C   UNL     1       0.563  -2.641   0.761  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.586  -0.508   1.163  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.546  -0.721  -0.009  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.911  -1.225  -0.637  1.00  0.00           C  
HETATM    7  C   UNL     1       1.597  -3.062   1.807  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.379   4.237  -0.747  1.00  0.00           C  
HETATM    9  C   UNL     1       5.423  -2.798  -0.811  1.00  0.00           C  
HETATM   10  C   UNL     1       6.655  -3.322  -1.153  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.142   2.668   1.532  1.00  0.00           C  
HETATM   12  C   UNL     1       3.675   3.941  -0.237  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.855   3.848   1.577  1.00  0.00           C  
HETATM   14  C   UNL     1       6.464  -1.512   0.936  1.00  0.00           C  
HETATM   15  C   UNL     1       4.101   3.935  -1.553  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.770  -2.299   0.510  1.00  0.00           O  
HETATM   17  C   UNL     1      -8.562  -2.372  -0.678  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.526  -2.810  -1.503  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.220  -1.971  -1.233  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.311  -1.513  -0.091  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.847  -0.326   0.497  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.971  -0.887   0.522  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.394   0.330   1.140  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.545   2.262   0.337  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.975   4.632   0.441  1.00  0.00           C  
HETATM   26  F   UNL     1      -2.674   5.787   0.491  1.00  0.00           F  
HETATM   27  C   UNL     1      -0.669   3.056  -0.805  1.00  0.00           C  
HETATM   28  C   UNL     1       0.714  -1.170   0.469  1.00  0.00           C  
HETATM   29  C   UNL     1       0.784  -3.441  -0.525  1.00  0.00           C  
HETATM   30  C   UNL     1       1.840  -0.571  -0.021  1.00  0.00           C  
HETATM   31  C   UNL     1       1.526   0.861  -0.149  1.00  0.00           C  
HETATM   32  C   UNL     1       2.423   1.932  -0.638  1.00  0.00           C  
HETATM   33  C   UNL     1       2.839   2.946   0.225  1.00  0.00           C  
HETATM   34  C   UNL     1       3.692   2.932  -2.414  1.00  0.00           C  
HETATM   35  C   UNL     1       2.856   1.932  -1.964  1.00  0.00           C  
HETATM   36  C   UNL     1       3.113  -1.228  -0.358  1.00  0.00           C  
HETATM   37  O   UNL     1       3.296  -1.660  -1.480  1.00  0.00           O  
HETATM   38  N   UNL     1       4.076  -1.351   0.577  1.00  0.00           N  
HETATM   39  C   UNL     1       5.322  -1.889   0.233  1.00  0.00           C  
HETATM   40  O   UNL     1       6.371  -0.622   1.960  1.00  0.00           O  
HETATM   41  C   UNL     1       7.696  -2.039   0.583  1.00  0.00           C  
HETATM   42  C   UNL     1       7.789  -2.945  -0.457  1.00  0.00           C  
HETATM   43  H   UNL     1      -0.439  -2.835   1.142  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.565  -1.404   1.783  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.925   0.339   1.760  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.504   0.141  -0.674  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.256  -1.618  -0.557  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.538  -2.103  -1.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.956  -0.381  -1.325  1.00  0.00           H  
HETATM   50  H   UNL     1       2.600  -2.867   1.426  1.00  0.00           H  
HETATM   51  H   UNL     1       1.440  -2.492   2.723  1.00  0.00           H  
HETATM   52  H   UNL     1       1.489  -4.125   2.018  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.476   4.852  -1.629  1.00  0.00           H  
HETATM   54  H   UNL     1       4.540  -3.092  -1.359  1.00  0.00           H  
HETATM   55  H   UNL     1       6.732  -4.030  -1.965  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.049   2.058   2.418  1.00  0.00           H  
HETATM   57  H   UNL     1       4.002   4.725   0.431  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.317   4.163   2.501  1.00  0.00           H  
HETATM   59  H   UNL     1       4.756   4.717  -1.910  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.370  -3.056  -1.100  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.766  -2.823  -1.739  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.350  -1.154  -1.944  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.252  -2.298   0.663  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.928   0.416  -0.118  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.994  -1.694   1.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.398   1.092   0.545  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.209   2.747  -1.732  1.00  0.00           H  
HETATM   68  H   UNL     1       0.676  -4.504  -0.314  1.00  0.00           H  
HETATM   69  H   UNL     1       0.048  -3.141  -1.270  1.00  0.00           H  
HETATM   70  H   UNL     1       1.787  -3.246  -0.906  1.00  0.00           H  
HETATM   71  H   UNL     1       2.507   2.952   1.253  1.00  0.00           H  
HETATM   72  H   UNL     1       4.028   2.933  -3.441  1.00  0.00           H  
HETATM   73  H   UNL     1       2.538   1.149  -2.637  1.00  0.00           H  
HETATM   74  H   UNL     1       3.905  -1.067   1.489  1.00  0.00           H  
HETATM   75  H   UNL     1       6.215  -1.030   2.823  1.00  0.00           H  
HETATM   76  H   UNL     1       8.584  -1.742   1.122  1.00  0.00           H  
HETATM   77  H   UNL     1       8.749  -3.358  -0.728  1.00  0.00           H  
CONECT    1   28    2    4                                            
CONECT    2    1   31   31   24                                       
CONECT    3    7   28   29   43                                       
CONECT    4    1    5   44   45                                       
CONECT    5    4   22   46   47                                       
CONECT    6   20   22   48   49                                       
CONECT    7    3   50   51   52                                       
CONECT    8   25   25   27   53                                       
CONECT    9   10   10   39   54                                       
CONECT   10    9    9   42   55                                       
CONECT   11   13   13   24   56                                       
CONECT   12   33   33   15   57                                       
CONECT   13   11   11   25   58                                       
CONECT   14   39   39   41   40                                       
CONECT   15   12   34   34   59                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   18   19                                       
CONECT   18   17   60                                                 
CONECT   19   17   20   61   62                                       
CONECT   20    6   19   21   63                                       
CONECT   21   20   64                                                 
CONECT   22    5    6   23   65                                       
CONECT   23   22   66                                                 
CONECT   24    2   11   27   27                                       
CONECT   25    8    8   13   26                                       
CONECT   26   25                                                      
CONECT   27    8   24   24   67                                       
CONECT   28    1    3   30   30                                       
CONECT   29    3   68   69   70                                       
CONECT   30   28   28   36   31                                       
CONECT   31    2    2   30   32                                       
CONECT   32   31   33   35   35                                       
CONECT   33   12   12   32   71                                       
CONECT   34   15   15   35   72                                       
CONECT   35   32   32   34   73                                       
CONECT   36   30   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   74                                            
CONECT   39    9   14   14   38                                       
CONECT   40   14   75                                                 
CONECT   41   14   42   42   76                                       
CONECT   42   10   41   41   77                                       
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
