COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.161  -0.370  -0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       5.891  -3.619   0.944  1.00  0.00           C  
HETATM    3  C   UNL     1       3.722  -4.593   0.594  1.00  0.00           C  
HETATM    4  C   UNL     1       4.127  -2.342  -0.099  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.189  -1.703  -0.959  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.299  -2.297  -0.086  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.828  -0.420  -0.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.203  -0.067  -1.283  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.721  -0.294   0.694  1.00  0.00           C  
HETATM   10  C   UNL     1       5.047   3.255   0.510  1.00  0.00           C  
HETATM   11  C   UNL     1       3.542   3.524   0.437  1.00  0.00           C  
HETATM   12  C   UNL     1       3.291   4.805  -0.362  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858   2.366  -0.242  1.00  0.00           C  
HETATM   14  C   UNL     1       1.832   0.156  -0.186  1.00  0.00           C  
HETATM   15  C   UNL     1       2.745  -0.407  -1.278  1.00  0.00           C  
HETATM   16  C   UNL     1       3.982  -0.990  -0.646  1.00  0.00           C  
HETATM   17  C   UNL     1       5.451  -2.432   0.369  1.00  0.00           C  
HETATM   18  C   UNL     1       5.030  -4.689   1.049  1.00  0.00           C  
HETATM   19  C   UNL     1       3.272  -3.438   0.017  1.00  0.00           C  
HETATM   20  C   UNL     1       0.542   0.629  -0.805  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.661  -1.941  -0.687  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.735   0.195  -1.592  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.270  -0.799  -0.512  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.700  -0.966   1.401  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.233  -2.140   0.901  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.786  -2.641  -0.308  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.799  -1.975  -1.010  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.711   0.122   0.689  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.553   1.990   2.245  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.481   2.887   0.128  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.140   3.320  -0.316  1.00  0.00           C  
HETATM   32  N   UNL     1       2.498   1.282   0.474  1.00  0.00           N  
HETATM   33  N   UNL     1       6.051  -1.216   0.127  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.425  -0.260  -1.107  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.814   1.447   0.910  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.163   2.285  -0.112  1.00  0.00           N  
HETATM   37  N   UNL     1       3.007   3.682   1.796  1.00  0.00           N  
HETATM   38  O   UNL     1       2.630   2.410  -1.432  1.00  0.00           O  
HETATM   39  O   UNL     1       0.373   1.808  -1.030  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.523  -0.635   1.618  1.00  0.00           O  
HETATM   41  H   UNL     1       5.376   0.644  -0.779  1.00  0.00           H  
HETATM   42  H   UNL     1       6.907  -3.704   1.301  1.00  0.00           H  
HETATM   43  H   UNL     1       3.059  -5.441   0.684  1.00  0.00           H  
HETATM   44  H   UNL     1       0.777  -1.868  -0.484  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.200  -2.180  -1.939  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.191  -3.381  -0.047  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.228  -1.887   0.921  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.366   1.008  -1.199  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.247  -0.359  -2.332  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.305   0.622   1.085  1.00  0.00           H  
HETATM   51  H   UNL     1       5.542   4.093   1.001  1.00  0.00           H  
HETATM   52  H   UNL     1       5.226   2.343   1.079  1.00  0.00           H  
HETATM   53  H   UNL     1       5.444   3.138  -0.498  1.00  0.00           H  
HETATM   54  H   UNL     1       3.689   4.688  -1.370  1.00  0.00           H  
HETATM   55  H   UNL     1       2.220   4.996  -0.414  1.00  0.00           H  
HETATM   56  H   UNL     1       3.787   5.642   0.129  1.00  0.00           H  
HETATM   57  H   UNL     1       1.620  -0.621   0.548  1.00  0.00           H  
HETATM   58  H   UNL     1       2.216  -1.186  -1.827  1.00  0.00           H  
HETATM   59  H   UNL     1       3.029   0.392  -1.962  1.00  0.00           H  
HETATM   60  H   UNL     1       5.375  -5.612   1.490  1.00  0.00           H  
HETATM   61  H   UNL     1       2.257  -3.375  -0.348  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.722  -2.330  -1.704  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.452  -2.383  -0.082  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.874  -0.125  -2.625  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.790   1.283  -1.536  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.049  -0.575   2.345  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.997  -2.665   1.454  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.202  -3.558  -0.699  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.450  -2.367  -1.954  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.497   2.243   2.335  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.155   2.886   2.397  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.814   1.245   2.997  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.437   3.517   1.016  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.766   3.492  -0.733  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.219   2.099   0.278  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.035   3.911   0.593  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.188   2.847  -0.555  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.440   3.969  -1.139  1.00  0.00           H  
HETATM   79  H   UNL     1       2.680   1.247   1.426  1.00  0.00           H  
HETATM   80  H   UNL     1       6.968  -0.992   0.352  1.00  0.00           H  
HETATM   81  H   UNL     1       3.494   4.411   2.295  1.00  0.00           H  
HETATM   82  H   UNL     1       2.014   3.861   1.774  1.00  0.00           H  
CONECT    1   33   16   16   41                                       
CONECT    2   17   17   18   42                                       
CONECT    3   18   18   19   43                                       
CONECT    4   17   16   19   19                                       
CONECT    5   34    6   44   45                                       
CONECT    6    5   21   46   47                                       
CONECT    7   28   22   21    8                                       
CONECT    8    7   23   48   49                                       
CONECT    9   23   23   24   50                                       
CONECT   10   11   51   52   53                                       
CONECT   11   37   10   12   13                                       
CONECT   12   11   54   55   56                                       
CONECT   13   11   38   38   32                                       
CONECT   14   32   15   20   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16    1    1    4   15                                       
CONECT   17   33    2    2    4                                       
CONECT   18    2    3    3   60                                       
CONECT   19    4    4    3   61                                       
CONECT   20   14   39   39   34                                       
CONECT   21    6    7   62   63                                       
CONECT   22   34    7   64   65                                       
CONECT   23   27    8    9    9                                       
CONECT   24   25   25    9   66                                       
CONECT   25   26   24   24   67                                       
CONECT   26   27   27   25   68                                       
CONECT   27   26   26   23   69                                       
CONECT   28   40   40   35    7                                       
CONECT   29   35   70   71   72                                       
CONECT   30   36   73   74   75                                       
CONECT   31   36   76   77   78                                       
CONECT   32   13   14   79                                            
CONECT   33    1   17   80                                            
CONECT   34   20    5   22                                            
CONECT   35   29   28   36                                            
CONECT   36   30   35   31                                            
CONECT   37   11   81   82                                            
CONECT   38   13   13                                                 
CONECT   39   20   20                                                 
CONECT   40   28   28                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
