COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.481   0.472   0.237  1.00  0.00           C  
HETATM    2  O   UNL     1       2.985   2.730   1.403  1.00  0.00           O  
HETATM    3  N   UNL     1       1.118   0.854  -0.140  1.00  0.00           N  
HETATM    4  C   UNL     1       4.831   0.349  -0.545  1.00  0.00           C  
HETATM    5  C   UNL     1       5.278  -0.938  -0.781  1.00  0.00           C  
HETATM    6  C   UNL     1       6.564  -1.298  -0.425  1.00  0.00           C  
HETATM    7  C   UNL     1       7.403  -0.372   0.168  1.00  0.00           C  
HETATM    8  C   UNL     1       6.956   0.914   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       5.671   1.276   0.042  1.00  0.00           C  
HETATM   10  C   UNL     1       0.085   0.036   0.146  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.317   0.430  -0.242  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.374  -1.825  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.039   2.202  -0.037  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.137   3.026  -1.143  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.377   3.450  -1.582  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.423   2.223   0.189  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.593  -1.979  -0.700  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.905  -3.575   1.342  1.00  0.00           C  
HETATM   19  C   UNL     1       7.051  -2.701  -0.681  1.00  0.00           C  
HETATM   20  C   UNL     1       7.690  -2.773  -2.069  1.00  0.00           C  
HETATM   21  B   UNL     1       2.934   1.313   1.483  1.00  0.00           B  
HETATM   22  O   UNL     1       3.294   0.657   2.690  1.00  0.00           O  
HETATM   23  C   UNL     1       3.428   0.742  -0.933  1.00  0.00           C  
HETATM   24  O   UNL     1       0.284  -1.016   0.715  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.251  -0.618   0.176  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.686   1.746   0.445  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.429  -0.765  -0.463  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.520   3.048  -0.916  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.182   1.801   0.629  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.716  -0.028  -1.385  1.00  0.00           O  
HETATM   31  N   UNL     1      -6.432  -2.925  -0.319  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.117  -3.725   0.684  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.064  -2.629   0.973  1.00  0.00           N  
HETATM   34  H   UNL     1       2.505  -0.589   0.487  1.00  0.00           H  
HETATM   35  H   UNL     1       3.276   3.160   2.219  1.00  0.00           H  
HETATM   36  H   UNL     1       0.958   1.696  -0.595  1.00  0.00           H  
HETATM   37  H   UNL     1       4.623  -1.661  -1.243  1.00  0.00           H  
HETATM   38  H   UNL     1       8.406  -0.655   0.449  1.00  0.00           H  
HETATM   39  H   UNL     1       7.611   1.638   0.865  1.00  0.00           H  
HETATM   40  H   UNL     1       5.322   2.282   0.226  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.373   0.556  -1.323  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.244   3.340  -1.663  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.454   4.094  -2.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.316   1.910   0.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.851  -1.324  -1.520  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.652  -4.231   2.162  1.00  0.00           H  
HETATM   47  H   UNL     1       7.790  -2.973   0.073  1.00  0.00           H  
HETATM   48  H   UNL     1       6.210  -3.393  -0.632  1.00  0.00           H  
HETATM   49  H   UNL     1       8.042  -3.788  -2.255  1.00  0.00           H  
HETATM   50  H   UNL     1       6.951  -2.502  -2.824  1.00  0.00           H  
HETATM   51  H   UNL     1       8.531  -2.082  -2.119  1.00  0.00           H  
HETATM   52  H   UNL     1       3.559   1.257   3.400  1.00  0.00           H  
HETATM   53  H   UNL     1       3.114   0.158  -1.798  1.00  0.00           H  
HETATM   54  H   UNL     1       3.404   1.803  -1.182  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.023  -1.207   0.912  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.717   1.596   1.525  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.940   2.503   0.205  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.489   3.379  -1.258  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.106   1.157   1.493  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.803  -4.501   0.990  1.00  0.00           H  
CONECT    1   23    3   21   34                                       
CONECT    2   21   35                                                 
CONECT    3    1   10   36                                            
CONECT    4    9    9    5   23                                       
CONECT    5    6    6    4   37                                       
CONECT    6    7   19    5    5                                       
CONECT    7    8    8    6   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8    4    4   40                                       
CONECT   10    3   11   24   24                                       
CONECT   11   25   10   26   41                                       
CONECT   12   33   33   17   27                                       
CONECT   13   26   14   14   29                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   28   28   43                                       
CONECT   16   29   29   28   44                                       
CONECT   17   31   31   12   45                                       
CONECT   18   32   32   33   46                                       
CONECT   19   20    6   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21    1   22    2                                            
CONECT   22   21   52                                                 
CONECT   23    4    1   53   54                                       
CONECT   24   10   10                                                 
CONECT   25   27   11   55                                            
CONECT   26   11   13   56   57                                       
CONECT   27   12   30   30   25                                       
CONECT   28   15   15   16   58                                       
CONECT   29   13   16   16   59                                       
CONECT   30   27   27                                                 
CONECT   31   32   17   17                                            
CONECT   32   18   18   31   60                                       
CONECT   33   18   12   12                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
