COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.418  -0.302   1.132  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.774  -0.172   0.487  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.862   0.046  -0.703  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.890  -0.298   1.233  1.00  0.00           N  
HETATM    5  O   UNL     1      -8.164  -0.176   0.627  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.046  -0.602   0.476  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.946  -1.203   1.525  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.335   0.095   0.126  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.126   1.610   0.172  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.376   2.313  -0.361  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.523   2.027  -1.857  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.244   3.822  -0.141  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.002  -0.556  -0.376  1.00  0.00           N  
HETATM   14  C   UNL     1       0.285  -1.139   0.011  1.00  0.00           C  
HETATM   15  C   UNL     1       0.434  -2.519  -0.632  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.753  -3.398  -0.233  1.00  0.00           C  
HETATM   17  C   UNL     1       0.470  -2.372  -2.155  1.00  0.00           C  
HETATM   18  C   UNL     1       1.733  -3.168  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1       1.403  -0.243  -0.458  1.00  0.00           C  
HETATM   20  O   UNL     1       1.254   0.446  -1.445  1.00  0.00           O  
HETATM   21  N   UNL     1       2.568  -0.209   0.219  1.00  0.00           N  
HETATM   22  C   UNL     1       3.615   0.738  -0.174  1.00  0.00           C  
HETATM   23  C   UNL     1       4.957   0.211   0.264  1.00  0.00           C  
HETATM   24  O   UNL     1       5.032  -0.851   0.845  1.00  0.00           O  
HETATM   25  C   UNL     1       3.356   2.090   0.493  1.00  0.00           C  
HETATM   26  N   UNL     1       9.783   0.881   0.449  1.00  0.00           N  
HETATM   27  C   UNL     1       8.474   1.395   0.023  1.00  0.00           C  
HETATM   28  C   UNL     1       7.380   0.407   0.433  1.00  0.00           C  
HETATM   29  N   UNL     1       6.075   0.919   0.008  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.365   0.354   2.000  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.262  -1.334   1.446  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.820  -0.472   2.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.903  -0.282   1.242  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.646  -0.199  -0.877  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.945   1.920   1.201  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.268   1.877  -0.444  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.254   1.944   0.168  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.663   2.433  -2.391  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.575   0.950  -2.017  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.435   2.495  -2.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.134   4.323  -0.521  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.139   4.026   0.924  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.366   4.191  -0.670  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.105  -0.141  -1.247  1.00  0.00           H  
HETATM   45  H   UNL     1       0.329  -1.237   1.095  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.679  -2.936  -0.575  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.648  -4.382  -0.691  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.779  -3.503   0.852  1.00  0.00           H  
HETATM   49  H   UNL     1       1.315  -1.745  -2.439  1.00  0.00           H  
HETATM   50  H   UNL     1       0.575  -3.355  -2.612  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.456  -1.909  -2.497  1.00  0.00           H  
HETATM   52  H   UNL     1       1.711  -3.266   0.934  1.00  0.00           H  
HETATM   53  H   UNL     1       1.835  -4.155  -0.603  1.00  0.00           H  
HETATM   54  H   UNL     1       2.579  -2.546  -0.444  1.00  0.00           H  
HETATM   55  H   UNL     1       2.713  -0.811   0.966  1.00  0.00           H  
HETATM   56  H   UNL     1       3.608   0.859  -1.257  1.00  0.00           H  
HETATM   57  H   UNL     1       3.364   1.968   1.577  1.00  0.00           H  
HETATM   58  H   UNL     1       4.135   2.794   0.202  1.00  0.00           H  
HETATM   59  H   UNL     1       2.385   2.471   0.177  1.00  0.00           H  
HETATM   60  H   UNL     1      10.523   1.516   0.190  1.00  0.00           H  
HETATM   61  H   UNL     1       9.794   0.699   1.442  1.00  0.00           H  
HETATM   62  H   UNL     1       8.467   1.516  -1.060  1.00  0.00           H  
HETATM   63  H   UNL     1       8.290   2.358   0.498  1.00  0.00           H  
HETATM   64  H   UNL     1       7.388   0.285   1.516  1.00  0.00           H  
HETATM   65  H   UNL     1       7.565  -0.557  -0.042  1.00  0.00           H  
HETATM   66  H   UNL     1       6.016   1.768  -0.457  1.00  0.00           H  
CONECT    1    2    8   30   31                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   32                                            
CONECT    5    4   33                                                 
CONECT    6   13    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    6    1    9   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10   11    9   12   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12   10   41   42   43                                       
CONECT   13    6   14   44                                            
CONECT   14   13   15   19   45                                       
CONECT   15   14   17   18   16                                       
CONECT   16   15   46   47   48                                       
CONECT   17   15   49   50   51                                       
CONECT   18   15   52   53   54                                       
CONECT   19   20   20   14   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   55                                            
CONECT   22   25   21   23   56                                       
CONECT   23   29   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   22   57   58   59                                       
CONECT   26   27   60   61                                            
CONECT   27   28   26   62   63                                       
CONECT   28   29   27   64   65                                       
CONECT   29   23   28   66                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
