COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.014   0.266   2.629  1.00  0.00           C  
HETATM    2  C   UNL     1       5.016   0.329   0.369  1.00  0.00           C  
HETATM    3  C   UNL     1       6.646   1.923  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       8.781   1.407  -1.184  1.00  0.00           C  
HETATM    5  C   UNL     1       7.027  -0.325  -0.789  1.00  0.00           C  
HETATM    6  C   UNL     1       5.780  -0.664  -0.269  1.00  0.00           C  
HETATM    7  C   UNL     1       4.771  -2.710   0.735  1.00  0.00           C  
HETATM    8  C   UNL     1       4.300  -4.635  -0.610  1.00  0.00           C  
HETATM    9  C   UNL     1       5.275  -2.696  -1.623  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.137  -1.010   2.559  1.00  0.00           C  
HETATM   11  C   UNL     1       1.212  -0.660   1.986  1.00  0.00           C  
HETATM   12  C   UNL     1       3.250   0.591   2.109  1.00  0.00           C  
HETATM   13  C   UNL     1       3.691  -0.016   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1       7.466   0.996  -0.651  1.00  0.00           C  
HETATM   15  C   UNL     1      10.500   3.089  -1.576  1.00  0.00           C  
HETATM   16  C   UNL     1       5.266  -2.049  -0.388  1.00  0.00           C  
HETATM   17  C   UNL     1       4.293  -4.000   0.619  1.00  0.00           C  
HETATM   18  C   UNL     1       4.785  -3.982  -1.729  1.00  0.00           C  
HETATM   19  C   UNL     1       2.877  -0.949   0.289  1.00  0.00           C  
HETATM   20  C   UNL     1       1.643  -1.265   0.819  1.00  0.00           C  
HETATM   21  N   UNL     1       5.473   1.569   0.478  1.00  0.00           N  
HETATM   22  N   UNL     1       9.196   2.682  -1.047  1.00  0.00           N  
HETATM   23  O   UNL     1       9.488   0.595  -1.748  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.317   2.983   0.271  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.626   0.615   0.697  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.423   0.794   2.204  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.433  -0.258   2.709  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.316  -0.322   0.560  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.272   0.729  -0.009  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.750   1.439  -0.436  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.455   0.295  -0.773  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.679   0.404  -1.416  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.330  -1.842  -0.970  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.002  -3.121  -1.398  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.778  -4.196  -0.331  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.197   1.657  -1.722  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.497   2.799  -1.388  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.275   2.697  -0.741  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.528   1.656   0.197  1.00  0.00           N  
HETATM   40  N   UNL     1      -1.154  -0.108   2.004  1.00  0.00           N  
HETATM   41  N   UNL     1      -8.395  -0.751  -1.758  1.00  0.00           N  
HETATM   42  N   UNL     1      -5.354   3.639  -0.283  1.00  0.00           N  
HETATM   43  O   UNL     1      -3.339   3.511   0.768  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.731  -1.794   0.084  1.00  0.00           O  
HETATM   45  H   UNL     1       1.670   0.739   3.537  1.00  0.00           H  
HETATM   46  H   UNL     1       6.980   2.944   0.108  1.00  0.00           H  
HETATM   47  H   UNL     1       7.639  -1.063  -1.286  1.00  0.00           H  
HETATM   48  H   UNL     1       4.765  -2.216   1.695  1.00  0.00           H  
HETATM   49  H   UNL     1       3.926  -5.644  -0.696  1.00  0.00           H  
HETATM   50  H   UNL     1       5.654  -2.187  -2.497  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.385  -2.040   2.301  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.110  -0.904   3.643  1.00  0.00           H  
HETATM   53  H   UNL     1       3.876   1.314   2.611  1.00  0.00           H  
HETATM   54  H   UNL     1      10.660   4.147  -1.371  1.00  0.00           H  
HETATM   55  H   UNL     1      11.285   2.503  -1.097  1.00  0.00           H  
HETATM   56  H   UNL     1      10.524   2.919  -2.652  1.00  0.00           H  
HETATM   57  H   UNL     1       3.913  -4.514   1.489  1.00  0.00           H  
HETATM   58  H   UNL     1       4.792  -4.484  -2.685  1.00  0.00           H  
HETATM   59  H   UNL     1       3.213  -1.422  -0.622  1.00  0.00           H  
HETATM   60  H   UNL     1       1.012  -1.987   0.322  1.00  0.00           H  
HETATM   61  H   UNL     1       8.631   3.330  -0.597  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.058  -0.366   0.502  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.027   1.790   2.403  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.377   0.672   2.717  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.275  -0.125   3.779  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.835  -1.254   2.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.723  -1.317   0.384  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.347  -0.234   0.069  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.404   0.560  -1.078  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.859   1.724   0.155  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.053  -0.679  -0.536  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.071  -2.947  -1.519  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.578  -3.455  -2.345  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.709  -4.370  -0.210  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.202  -3.862   0.616  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.264  -5.121  -0.641  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.151   1.738  -2.223  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.902   3.771  -1.627  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.936  -0.765  -2.563  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.444   4.602  -0.355  1.00  0.00           H  
CONECT    1   11   11   12   45                                       
CONECT    2   13   21   21    6                                       
CONECT    3   21   14   14   46                                       
CONECT    4   14   22   23   23                                       
CONECT    5    6    6   14   47                                       
CONECT    6    2   16    5    5                                       
CONECT    7   16   16   17   48                                       
CONECT    8   18   17   17   49                                       
CONECT    9   18   18   16   50                                       
CONECT   10   40   11   51   52                                       
CONECT   11   10    1    1   20                                       
CONECT   12    1   13   13   53                                       
CONECT   13   12   12   19    2                                       
CONECT   14    3    3    5    4                                       
CONECT   15   22   54   55   56                                       
CONECT   16    9    6    7    7                                       
CONECT   17    8    8    7   57                                       
CONECT   18    9    9    8   58                                       
CONECT   19   20   20   13   59                                       
CONECT   20   11   19   19   60                                       
CONECT   21    2    2    3                                            
CONECT   22    4   15   61                                            
CONECT   23    4    4                                                 
CONECT   24   42   43   43   39                                       
CONECT   25   39   26   29   62                                       
CONECT   26   25   27   63   64                                       
CONECT   27   26   40   65   66                                       
CONECT   28   29   40   67   68                                       
CONECT   29   25   28   69   70                                       
CONECT   30   38   38   31   39                                       
CONECT   31   32   32   30   71                                       
CONECT   32   36   41   31   31                                       
CONECT   33   41   44   44   34                                       
CONECT   34   33   35   72   73                                       
CONECT   35   34   74   75   76                                       
CONECT   36   37   37   32   77                                       
CONECT   37   36   36   38   78                                       
CONECT   38   37   42   30   30                                       
CONECT   39   24   30   25                                            
CONECT   40   27   28   10                                            
CONECT   41   32   33   79                                            
CONECT   42   38   24   80                                            
CONECT   43   24   24                                                 
CONECT   44   33   33                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
