COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -8.420  -0.585  -4.414  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.469  -0.606  -3.246  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.571  -1.560  -2.963  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.941  -1.302  -1.963  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.324  -0.166  -1.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.354   0.335  -2.280  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.789   0.473  -0.209  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.236   1.539   0.166  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.805  -0.128   0.490  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.276   0.503   1.701  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.155   0.128   2.897  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.698   0.910   4.130  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.613   0.471   2.586  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.868   0.024   1.943  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.648  -0.797   2.801  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.734   0.571   1.114  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.445  -0.178   1.458  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.580  -1.645   1.042  1.00  0.00           C  
HETATM   19  C   UNL     1       0.629  -2.413   1.508  1.00  0.00           C  
HETATM   20  C   UNL     1       1.439  -2.954   0.632  1.00  0.00           C  
HETATM   21  C   UNL     1       1.260  -2.669  -0.836  1.00  0.00           C  
HETATM   22  C   UNL     1       2.550  -3.862   1.094  1.00  0.00           C  
HETATM   23  C   UNL     1       0.711   0.448   0.721  1.00  0.00           C  
HETATM   24  O   UNL     1       0.507   1.131  -0.260  1.00  0.00           O  
HETATM   25  N   UNL     1       1.973   0.249   1.153  1.00  0.00           N  
HETATM   26  C   UNL     1       3.101   0.785   0.388  1.00  0.00           C  
HETATM   27  C   UNL     1       4.332  -0.040   0.663  1.00  0.00           C  
HETATM   28  C   UNL     1       4.948  -0.669  -0.335  1.00  0.00           C  
HETATM   29  C   UNL     1       6.147  -1.475  -0.067  1.00  0.00           C  
HETATM   30  O   UNL     1       6.577  -1.566   1.066  1.00  0.00           O  
HETATM   31  O   UNL     1       6.771  -2.112  -1.078  1.00  0.00           O  
HETATM   32  C   UNL     1       7.956  -2.907  -0.814  1.00  0.00           C  
HETATM   33  C   UNL     1       8.464  -3.517  -2.122  1.00  0.00           C  
HETATM   34  C   UNL     1       3.357   2.235   0.805  1.00  0.00           C  
HETATM   35  C   UNL     1       4.454   2.834  -0.077  1.00  0.00           C  
HETATM   36  C   UNL     1       4.839   4.246   0.422  1.00  0.00           C  
HETATM   37  C   UNL     1       5.107   4.987  -0.907  1.00  0.00           C  
HETATM   38  N   UNL     1       4.313   4.279  -1.918  1.00  0.00           N  
HETATM   39  C   UNL     1       3.938   3.061  -1.481  1.00  0.00           C  
HETATM   40  O   UNL     1       3.281   2.266  -2.120  1.00  0.00           O  
HETATM   41  H   UNL     1      -7.947  -0.086  -5.260  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.677  -1.607  -4.693  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.326  -0.046  -4.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.915   1.252  -2.175  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.448  -0.979   0.190  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.276   1.586   1.577  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.066  -0.941   3.091  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.847   1.976   3.960  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.281   0.596   4.996  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.642   0.716   4.314  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.938  -0.086   1.707  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.238   0.204   3.438  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.701   1.540   2.391  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.606   1.632   1.329  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.960   0.438   0.056  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.266  -0.121   2.531  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.477  -2.069   1.493  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.655  -1.709  -0.044  1.00  0.00           H  
HETATM   59  H   UNL     1       0.828  -2.518   2.565  1.00  0.00           H  
HETATM   60  H   UNL     1       0.477  -1.923  -0.969  1.00  0.00           H  
HETATM   61  H   UNL     1       2.196  -2.291  -1.250  1.00  0.00           H  
HETATM   62  H   UNL     1       0.979  -3.587  -1.353  1.00  0.00           H  
HETATM   63  H   UNL     1       2.521  -3.948   2.180  1.00  0.00           H  
HETATM   64  H   UNL     1       2.422  -4.849   0.648  1.00  0.00           H  
HETATM   65  H   UNL     1       3.510  -3.447   0.788  1.00  0.00           H  
HETATM   66  H   UNL     1       2.133  -0.249   1.969  1.00  0.00           H  
HETATM   67  H   UNL     1       2.870   0.749  -0.676  1.00  0.00           H  
HETATM   68  H   UNL     1       4.714  -0.122   1.670  1.00  0.00           H  
HETATM   69  H   UNL     1       4.566  -0.588  -1.342  1.00  0.00           H  
HETATM   70  H   UNL     1       7.710  -3.705  -0.112  1.00  0.00           H  
HETATM   71  H   UNL     1       8.732  -2.273  -0.384  1.00  0.00           H  
HETATM   72  H   UNL     1       9.353  -4.115  -1.923  1.00  0.00           H  
HETATM   73  H   UNL     1       7.688  -4.152  -2.551  1.00  0.00           H  
HETATM   74  H   UNL     1       8.710  -2.720  -2.823  1.00  0.00           H  
HETATM   75  H   UNL     1       2.440   2.814   0.689  1.00  0.00           H  
HETATM   76  H   UNL     1       3.674   2.263   1.848  1.00  0.00           H  
HETATM   77  H   UNL     1       5.328   2.183  -0.093  1.00  0.00           H  
HETATM   78  H   UNL     1       4.014   4.706   0.966  1.00  0.00           H  
HETATM   79  H   UNL     1       5.738   4.210   1.036  1.00  0.00           H  
HETATM   80  H   UNL     1       4.782   6.025  -0.832  1.00  0.00           H  
HETATM   81  H   UNL     1       6.166   4.940  -1.159  1.00  0.00           H  
HETATM   82  H   UNL     1       4.088   4.641  -2.789  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3    6    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    7                                       
CONECT    6    2    2    5   44                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   45                                            
CONECT   10    9   11   14   46                                       
CONECT   11   10   12   13   47                                       
CONECT   12   11   48   49   50                                       
CONECT   13   11   51   52   53                                       
CONECT   14   10   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   54   55                                       
CONECT   17   16   18   23   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18   20   20   59                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   60   61   62                                       
CONECT   22   20   63   64   65                                       
CONECT   23   17   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   66                                            
CONECT   26   25   27   34   67                                       
CONECT   27   26   28   28   68                                       
CONECT   28   27   27   29   69                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32                                                 
CONECT   32   31   33   70   71                                       
CONECT   33   32   72   73   74                                       
CONECT   34   26   35   75   76                                       
CONECT   35   34   36   39   77                                       
CONECT   36   35   37   78   79                                       
CONECT   37   36   38   80   81                                       
CONECT   38   37   39   82                                            
CONECT   39   35   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
