COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.224  -0.541  -0.152  1.00  0.00           C  
HETATM    2  C   UNL     1       6.932   1.614  -0.507  1.00  0.00           C  
HETATM    3  C   UNL     1       4.501   0.229  -0.155  1.00  0.00           C  
HETATM    4  C   UNL     1       4.470   1.556  -0.589  1.00  0.00           C  
HETATM    5  C   UNL     1       3.268   2.227  -0.677  1.00  0.00           C  
HETATM    6  C   UNL     1       2.107   0.268   0.099  1.00  0.00           C  
HETATM    7  C   UNL     1       3.315  -0.416   0.190  1.00  0.00           C  
HETATM    8  C   UNL     1       0.839  -0.411   0.464  1.00  0.00           C  
HETATM    9  C   UNL     1       0.855  -1.735   0.898  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.325  -2.366   1.237  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.526  -1.688   1.148  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.552  -0.367   0.717  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.771   0.319   0.633  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.872   0.821   0.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.276   0.732  -0.205  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.915  -0.170   0.122  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.116  -1.545  -0.461  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.753  -1.638  -1.849  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.262  -1.931  -1.670  1.00  0.00           C  
HETATM   20  N   UNL     1       6.948   0.174  -0.237  1.00  0.00           N  
HETATM   21  C   UNL     1       5.789  -0.493  -0.067  1.00  0.00           C  
HETATM   22  O   UNL     1       5.802  -1.687   0.160  1.00  0.00           O  
HETATM   23  C   UNL     1       2.089   1.593  -0.335  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.370   0.275   0.380  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.005   1.627   1.072  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.250   1.937   0.836  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.123   1.751   0.039  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.670  -0.261  -0.785  1.00  0.00           O  
HETATM   29  H   UNL     1       8.579  -0.529   0.878  1.00  0.00           H  
HETATM   30  H   UNL     1       8.084  -1.573  -0.476  1.00  0.00           H  
HETATM   31  H   UNL     1       8.957  -0.054  -0.795  1.00  0.00           H  
HETATM   32  H   UNL     1       7.951   2.000  -0.482  1.00  0.00           H  
HETATM   33  H   UNL     1       6.499   1.794  -1.491  1.00  0.00           H  
HETATM   34  H   UNL     1       6.333   2.119   0.251  1.00  0.00           H  
HETATM   35  H   UNL     1       5.389   2.057  -0.857  1.00  0.00           H  
HETATM   36  H   UNL     1       3.249   3.254  -1.013  1.00  0.00           H  
HETATM   37  H   UNL     1       3.332  -1.442   0.526  1.00  0.00           H  
HETATM   38  H   UNL     1       1.792  -2.268   0.969  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.310  -3.392   1.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.447  -2.185   1.414  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.356  -2.329   0.257  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.413  -2.483  -2.044  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.027  -0.704  -2.340  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.555  -1.191  -2.044  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.941  -2.970  -1.748  1.00  0.00           H  
HETATM   46  H   UNL     1       1.151   2.124  -0.406  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.388   1.301   0.044  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.723   2.881   1.063  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.035   1.647  -0.266  1.00  0.00           H  
CONECT    1   20   29   30   31                                       
CONECT    2   20   32   33   34                                       
CONECT    3   21    7    7    4                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4   23   36                                       
CONECT    6    7    8   23   23                                       
CONECT    7    3    3    6   37                                       
CONECT    8   24    6    9    9                                       
CONECT    9    8    8   10   38                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   40                                       
CONECT   12   13   24   24   11                                       
CONECT   13   16   25   12                                            
CONECT   14   15   26   16   16                                       
CONECT   15   28   28   27   14                                       
CONECT   16   14   14   17   13                                       
CONECT   17   18   16   19   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   17   44   45                                       
CONECT   20    1    2   21                                            
CONECT   21   20   22   22    3                                       
CONECT   22   21   21                                                 
CONECT   23    6    6    5   46                                       
CONECT   24   12   12    8   47                                       
CONECT   25   26   26   13                                            
CONECT   26   14   25   25   48                                       
CONECT   27   15   49                                                 
CONECT   28   15   15                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
