COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.758   3.342  -0.093  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.826   1.673   0.617  1.00  0.00           C  
HETATM    3  C   UNL     1       0.282  -0.652  -0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       0.556  -0.830  -1.409  1.00  0.00           C  
HETATM    5  C   UNL     1       1.815  -0.689  -1.872  1.00  0.00           C  
HETATM    6  C   UNL     1       1.313  -0.334   0.822  1.00  0.00           C  
HETATM    7  C   UNL     1       2.613  -0.195   0.307  1.00  0.00           C  
HETATM    8  C   UNL     1       4.736   0.109  -0.053  1.00  0.00           C  
HETATM    9  C   UNL     1       6.170   0.396   0.199  1.00  0.00           C  
HETATM   10  C   UNL     1       7.082   0.378  -0.854  1.00  0.00           C  
HETATM   11  C   UNL     1       8.415   0.646  -0.614  1.00  0.00           C  
HETATM   12  C   UNL     1       8.845   0.931   0.669  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.875  -2.431   0.509  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.398  -1.228   0.093  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.432  -0.306   0.242  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.538  -1.002   0.758  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.203  -2.257   0.914  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.131  -3.693   0.524  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.043  -0.951  -0.417  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.377   1.134  -0.083  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.018  -0.790   0.444  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.849  -0.869  -1.614  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.354   1.618  -0.526  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.460   1.911   0.112  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.232   2.913  -0.200  1.00  0.00           C  
HETATM   26  N   UNL     1       2.837  -0.376  -1.030  1.00  0.00           N  
HETATM   27  N   UNL     1       4.210  -0.174  -1.230  1.00  0.00           N  
HETATM   28  N   UNL     1       3.778   0.098   0.874  1.00  0.00           N  
HETATM   29  C   UNL     1       7.944   0.949   1.718  1.00  0.00           C  
HETATM   30  C   UNL     1       6.608   0.689   1.488  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.543   3.964   0.776  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.350   3.749  -1.019  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.272   0.746   0.258  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.925   1.803   1.695  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.244  -1.079  -2.090  1.00  0.00           H  
HETATM   36  H   UNL     1       2.015  -0.827  -2.924  1.00  0.00           H  
HETATM   37  H   UNL     1       1.124  -0.193   1.876  1.00  0.00           H  
HETATM   38  H   UNL     1       6.747   0.155  -1.857  1.00  0.00           H  
HETATM   39  H   UNL     1       9.123   0.633  -1.430  1.00  0.00           H  
HETATM   40  H   UNL     1       9.889   1.140   0.852  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.503  -0.574   0.988  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.697  -3.846   1.511  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.806  -4.516   0.291  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.336  -3.654  -0.221  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.186  -0.771   1.400  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.921   3.577   0.323  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.550   2.684  -1.217  1.00  0.00           H  
HETATM   48  H   UNL     1       8.286   1.172   2.718  1.00  0.00           H  
HETATM   49  H   UNL     1       5.905   0.708   2.307  1.00  0.00           H  
CONECT    1   24   25   31   32                                       
CONECT    2   24   25   33   34                                       
CONECT    3   21    4    6    6                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4   26   36                                       
CONECT    6    3    3    7   37                                       
CONECT    7    6   26   28   28                                       
CONECT    8   27   27   28    9                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   29   40                                       
CONECT   13   14   17   18                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   20                                       
CONECT   16   15   17   17   41                                       
CONECT   17   13   16   16                                            
CONECT   18   13   42   43   44                                       
CONECT   19   14   21   22   22                                       
CONECT   20   15   23   23   24                                       
CONECT   21   19    3   45                                            
CONECT   22   19   19                                                 
CONECT   23   20   20                                                 
CONECT   24   20    1    2                                            
CONECT   25    1    2   46   47                                       
CONECT   26    5    7   27                                            
CONECT   27   26    8    8                                            
CONECT   28    7    7    8                                            
CONECT   29   12   30   30   48                                       
CONECT   30    9   29   29   49                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
