COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.852  -0.437   3.413  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.635   0.197   2.588  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.745   0.860   3.065  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.333   0.205   1.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.217  -0.461   0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.936  -0.449  -0.707  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.815  -1.121  -1.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.568  -1.085  -2.564  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.418  -0.401  -3.432  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.515   0.255  -2.966  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.801   0.246  -1.590  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.927   0.915  -1.078  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.182   0.892   0.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.362  -1.801  -3.116  1.00  0.00           C  
HETATM   15  N   UNL     1       0.782  -0.887  -3.131  1.00  0.00           N  
HETATM   16  C   UNL     1       1.120  -0.059  -4.187  1.00  0.00           C  
HETATM   17  C   UNL     1       2.270   0.662  -3.833  1.00  0.00           C  
HETATM   18  C   UNL     1       2.634   0.226  -2.472  1.00  0.00           C  
HETATM   19  C   UNL     1       1.681  -0.729  -2.091  1.00  0.00           C  
HETATM   20  C   UNL     1       3.663   0.575  -1.599  1.00  0.00           C  
HETATM   21  C   UNL     1       3.743  -0.020  -0.360  1.00  0.00           C  
HETATM   22  C   UNL     1       2.799  -0.968   0.021  1.00  0.00           C  
HETATM   23  C   UNL     1       1.778  -1.327  -0.839  1.00  0.00           C  
HETATM   24  C   UNL     1       2.823   1.575  -4.727  1.00  0.00           C  
HETATM   25  C   UNL     1       2.238   1.767  -5.960  1.00  0.00           C  
HETATM   26  C   UNL     1       1.101   1.055  -6.311  1.00  0.00           C  
HETATM   27  C   UNL     1       0.543   0.148  -5.436  1.00  0.00           C  
HETATM   28  O   UNL     1       2.886  -1.551   1.245  1.00  0.00           O  
HETATM   29  C   UNL     1       2.181  -0.705   2.156  1.00  0.00           C  
HETATM   30  C   UNL     1       1.654  -1.541   3.325  1.00  0.00           C  
HETATM   31  C   UNL     1       0.870  -0.636   4.281  1.00  0.00           C  
HETATM   32  N   UNL     1       1.729   0.486   4.681  1.00  0.00           N  
HETATM   33  C   UNL     1       2.356   1.303   3.634  1.00  0.00           C  
HETATM   34  C   UNL     1       3.128   0.374   2.685  1.00  0.00           C  
HETATM   35  C   UNL     1       1.936   0.768   6.006  1.00  0.00           C  
HETATM   36  N   UNL     1       2.594   1.828   6.345  1.00  0.00           N  
HETATM   37  C   UNL     1       1.397  -0.156   7.067  1.00  0.00           C  
HETATM   38  H   UNL     1      -4.049  -0.442   4.363  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.943   0.855   4.014  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.328   1.333   2.451  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.567  -0.987   1.350  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.151  -1.658  -0.566  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.202  -0.392  -4.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.164   0.781  -3.651  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.588   1.447  -1.746  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.049   1.408   0.640  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.572  -2.137  -4.131  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.132  -2.662  -2.489  1.00  0.00           H  
HETATM   49  H   UNL     1       4.396   1.312  -1.894  1.00  0.00           H  
HETATM   50  H   UNL     1       4.540   0.249   0.316  1.00  0.00           H  
HETATM   51  H   UNL     1       1.050  -2.065  -0.535  1.00  0.00           H  
HETATM   52  H   UNL     1       3.709   2.130  -4.455  1.00  0.00           H  
HETATM   53  H   UNL     1       2.666   2.474  -6.655  1.00  0.00           H  
HETATM   54  H   UNL     1       0.650   1.212  -7.280  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.341  -0.400  -5.720  1.00  0.00           H  
HETATM   56  H   UNL     1       1.345  -0.233   1.640  1.00  0.00           H  
HETATM   57  H   UNL     1       2.491  -1.992   3.856  1.00  0.00           H  
HETATM   58  H   UNL     1       0.998  -2.324   2.945  1.00  0.00           H  
HETATM   59  H   UNL     1       0.576  -1.205   5.163  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.018  -0.255   3.777  1.00  0.00           H  
HETATM   61  H   UNL     1       1.590   1.842   3.076  1.00  0.00           H  
HETATM   62  H   UNL     1       3.045   2.014   4.091  1.00  0.00           H  
HETATM   63  H   UNL     1       3.952  -0.095   3.223  1.00  0.00           H  
HETATM   64  H   UNL     1       3.521   0.954   1.850  1.00  0.00           H  
HETATM   65  H   UNL     1       3.001   2.386   5.664  1.00  0.00           H  
HETATM   66  H   UNL     1       1.659   0.229   8.052  1.00  0.00           H  
HETATM   67  H   UNL     1       0.313  -0.218   6.977  1.00  0.00           H  
HETATM   68  H   UNL     1       1.830  -1.148   6.938  1.00  0.00           H  
CONECT    1    2    2   38                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   39   40                                            
CONECT    4    2    5    5   13                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   42                                       
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11   11   44                                       
CONECT   11    6   10   10   12                                       
CONECT   12   11   13   13   45                                       
CONECT   13    4   12   12   46                                       
CONECT   14    8   15   47   48                                       
CONECT   15   14   16   19                                            
CONECT   16   15   17   17   27                                       
CONECT   17   16   16   18   24                                       
CONECT   18   17   19   19   20                                       
CONECT   19   15   18   18   23                                       
CONECT   20   18   21   21   49                                       
CONECT   21   20   20   22   50                                       
CONECT   22   21   23   23   28                                       
CONECT   23   19   22   22   51                                       
CONECT   24   17   25   25   52                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   16   26   26   55                                       
CONECT   28   22   29                                                 
CONECT   29   28   30   34   56                                       
CONECT   30   29   31   57   58                                       
CONECT   31   30   32   59   60                                       
CONECT   32   31   33   35                                            
CONECT   33   32   34   61   62                                       
CONECT   34   29   33   63   64                                       
CONECT   35   32   36   36   37                                       
CONECT   36   35   35   65                                            
CONECT   37   35   66   67   68                                       
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
