COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.609  -0.611  -2.368  1.00  0.00           C  
HETATM    2  N   UNL     1       4.373   0.274  -1.413  1.00  0.00           N  
HETATM    3  C   UNL     1       5.458  -1.675  -2.108  1.00  0.00           C  
HETATM    4  C   UNL     1       6.036  -1.771  -0.852  1.00  0.00           C  
HETATM    5  N   UNL     1       5.762  -0.849   0.056  1.00  0.00           N  
HETATM    6  C   UNL     1       4.942   0.153  -0.222  1.00  0.00           C  
HETATM    7  N   UNL     1       4.678   1.100   0.752  1.00  0.00           N  
HETATM    8  C   UNL     1       3.750   2.125   0.252  1.00  0.00           C  
HETATM    9  C   UNL     1       2.396   1.479  -0.052  1.00  0.00           C  
HETATM   10  C   UNL     1       4.154   0.470   1.971  1.00  0.00           C  
HETATM   11  C   UNL     1       2.800  -0.176   1.667  1.00  0.00           C  
HETATM   12  N   UNL     1       1.872   0.848   1.168  1.00  0.00           N  
HETATM   13  C   UNL     1       0.609   0.312   0.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.419   1.123   0.471  1.00  0.00           C  
HETATM   15  N   UNL     1       0.384  -0.973   1.186  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.762  -1.518   0.995  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.804  -0.836   0.545  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.107  -1.513   0.341  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.297  -0.828   0.580  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.507  -1.462   0.383  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.540  -2.775  -0.051  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.362  -3.461  -0.289  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.146  -2.837  -0.096  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.669   0.539   0.266  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.814   1.335  -0.239  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.576   0.890  -1.324  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.165   2.548   0.361  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.238   3.257  -0.141  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.927   2.804  -1.170  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.633   1.662  -1.761  1.00  0.00           C  
HETATM   31  H   UNL     1       4.142  -0.507  -3.336  1.00  0.00           H  
HETATM   32  H   UNL     1       5.664  -2.414  -2.868  1.00  0.00           H  
HETATM   33  H   UNL     1       6.702  -2.589  -0.618  1.00  0.00           H  
HETATM   34  H   UNL     1       3.622   2.899   1.009  1.00  0.00           H  
HETATM   35  H   UNL     1       4.154   2.569  -0.658  1.00  0.00           H  
HETATM   36  H   UNL     1       1.698   2.243  -0.395  1.00  0.00           H  
HETATM   37  H   UNL     1       2.520   0.724  -0.828  1.00  0.00           H  
HETATM   38  H   UNL     1       4.852  -0.294   2.315  1.00  0.00           H  
HETATM   39  H   UNL     1       4.030   1.225   2.747  1.00  0.00           H  
HETATM   40  H   UNL     1       2.928  -0.951   0.911  1.00  0.00           H  
HETATM   41  H   UNL     1       2.396  -0.620   2.577  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.254   2.171   0.268  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.272   0.198   0.919  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.429  -0.932   0.567  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.489  -3.267  -0.203  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.394  -4.486  -0.627  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.228  -3.371  -0.287  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.340  -0.044  -1.812  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.605   2.925   1.204  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.516   4.195   0.316  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.226   1.327  -2.599  1.00  0.00           H  
CONECT    1    3    3    2   31                                       
CONECT    2    6    6    1                                            
CONECT    3    4    1    1   32                                       
CONECT    4    5    5    3   33                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    2    2                                       
CONECT    7   10    6    8                                            
CONECT    8    7    9   34   35                                       
CONECT    9   12    8   36   37                                       
CONECT   10   11    7   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   13   11    9                                            
CONECT   13   15   15   14   12                                       
CONECT   14   24   24   13   42                                       
CONECT   15   16   13   13                                            
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   24                                       
CONECT   18   19   19   23   17                                       
CONECT   19   20   18   18   43                                       
CONECT   20   21   21   19   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   18   47                                       
CONECT   24   17   25   14   14                                       
CONECT   25   26   24   27   27                                       
CONECT   26   30   30   25   48                                       
CONECT   27   25   25   28   49                                       
CONECT   28   29   29   27   50                                       
CONECT   29   30   28   28                                            
CONECT   30   26   26   29   51                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
