COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.890   0.167  -0.713  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.096   4.329   1.046  1.00  0.00           N  
HETATM    3  C   UNL     1       5.871  -2.780   1.310  1.00  0.00           C  
HETATM    4  C   UNL     1       5.324  -1.686   0.669  1.00  0.00           C  
HETATM    5  C   UNL     1       6.122  -0.882  -0.132  1.00  0.00           C  
HETATM    6  C   UNL     1       4.244   0.389  -0.666  1.00  0.00           C  
HETATM    7  C   UNL     1       3.701   0.887   0.511  1.00  0.00           C  
HETATM    8  C   UNL     1       3.420   0.096  -1.745  1.00  0.00           C  
HETATM    9  C   UNL     1       0.049   1.014  -0.363  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.179   3.445   0.665  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.998   1.973   0.060  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.539  -0.260  -2.223  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.892  -0.916  -2.507  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.997  -2.223  -1.715  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.438  -1.924   2.048  1.00  0.00           C  
HETATM   16  C   UNL     1       7.469  -1.178  -0.286  1.00  0.00           C  
HETATM   17  C   UNL     1       8.011  -2.273   0.358  1.00  0.00           C  
HETATM   18  C   UNL     1       7.215  -3.070   1.160  1.00  0.00           C  
HETATM   19  O   UNL     1       5.585   0.194  -0.765  1.00  0.00           O  
HETATM   20  C   UNL     1       2.341   1.091   0.612  1.00  0.00           C  
HETATM   21  C   UNL     1       2.060   0.297  -1.650  1.00  0.00           C  
HETATM   22  C   UNL     1       1.511   0.797  -0.469  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.614   2.213   0.149  1.00  0.00           C  
HETATM   24  N   UNL     1       1.168   3.731   0.773  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.386   4.061   0.943  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.839   2.923   0.468  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.149   0.724  -0.466  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.432   0.068  -0.732  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.521  -1.228   0.080  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.751  -1.938  -0.295  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.638  -2.320   0.646  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.603  -2.991   0.335  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.252  -2.387   2.992  1.00  0.00           C  
HETATM   34  H   UNL     1       5.251  -3.406   1.934  1.00  0.00           H  
HETATM   35  H   UNL     1       4.275  -1.458   0.789  1.00  0.00           H  
HETATM   36  H   UNL     1       4.345   1.115   1.348  1.00  0.00           H  
HETATM   37  H   UNL     1       3.846  -0.291  -2.659  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.738  -0.944  -2.503  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.452   0.659  -2.803  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.694  -0.242  -2.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.977  -1.128  -3.572  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.996  -2.644  -1.836  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.254  -2.932  -2.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.629  -1.258   2.311  1.00  0.00           H  
HETATM   45  H   UNL     1       8.091  -0.556  -0.911  1.00  0.00           H  
HETATM   46  H   UNL     1       9.059  -2.504   0.239  1.00  0.00           H  
HETATM   47  H   UNL     1       7.641  -3.926   1.662  1.00  0.00           H  
HETATM   48  H   UNL     1       1.919   1.478   1.528  1.00  0.00           H  
HETATM   49  H   UNL     1       1.419   0.069  -2.489  1.00  0.00           H  
HETATM   50  H   UNL     1       1.456   4.607   1.077  1.00  0.00           H  
HETATM   51  H   UNL     1       1.827   3.057   0.545  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.097   4.808   1.265  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.247   0.733  -0.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.656  -1.856  -0.138  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.545  -0.993   1.144  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.106  -2.096   4.022  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.061  -3.053   2.729  1.00  0.00           H  
CONECT    1    9    9   27                                            
CONECT    2   10   10   25                                            
CONECT    3   18   18    4   34                                       
CONECT    4    3    5    5   35                                       
CONECT    5   16    4    4   19                                       
CONECT    6   19    7    7    8                                       
CONECT    7    6    6   20   36                                       
CONECT    8    6   21   21   37                                       
CONECT    9   22    1    1   23                                       
CONECT   10   23   24    2    2                                       
CONECT   11   23   23   26   27                                       
CONECT   12   28   13   38   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   30   42   43                                       
CONECT   15   31   33   33   44                                       
CONECT   16   17   17    5   45                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17    3    3   47                                       
CONECT   19    5    6                                                 
CONECT   20    7   22   22   48                                       
CONECT   21    8    8   22   49                                       
CONECT   22   20   20   21    9                                       
CONECT   23    9   10   11   11                                       
CONECT   24   10   50   51                                            
CONECT   25    2   26   26   52                                       
CONECT   26   25   25   11                                            
CONECT   27    1   11   28                                            
CONECT   28   27   29   12   53                                       
CONECT   29   28   30   54   55                                       
CONECT   30   29   14   31                                            
CONECT   31   30   32   32   15                                       
CONECT   32   31   31                                                 
CONECT   33   15   15   56   57                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
