COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.985  -1.363  -0.057  1.00  0.00           C  
HETATM    2  C   UNL     1       2.172  -0.288   0.804  1.00  0.00           C  
HETATM    3  C   UNL     1       3.068  -0.421   1.887  1.00  0.00           C  
HETATM    4  C   UNL     1       0.727   0.253  -0.755  1.00  0.00           C  
HETATM    5  N   UNL     1       3.722  -1.588   2.060  1.00  0.00           N  
HETATM    6  N   UNL     1       2.683  -2.536   0.179  1.00  0.00           N  
HETATM    7  C   UNL     1       3.480   3.099   0.695  1.00  0.00           C  
HETATM    8  C   UNL     1       4.362   3.968   0.080  1.00  0.00           C  
HETATM    9  C   UNL     1       3.938   4.753  -0.975  1.00  0.00           C  
HETATM   10  C   UNL     1       2.631   4.668  -1.418  1.00  0.00           C  
HETATM   11  C   UNL     1       1.748   3.798  -0.804  1.00  0.00           C  
HETATM   12  C   UNL     1       2.175   3.010   0.249  1.00  0.00           C  
HETATM   13  C   UNL     1       1.213   2.063   0.918  1.00  0.00           C  
HETATM   14  N   UNL     1       1.360   0.726   0.337  1.00  0.00           N  
HETATM   15  O   UNL     1       3.248   0.507   2.654  1.00  0.00           O  
HETATM   16  C   UNL     1       3.533  -2.620   1.220  1.00  0.00           C  
HETATM   17  O   UNL     1       4.136  -3.658   1.411  1.00  0.00           O  
HETATM   18  C   UNL     1       2.500  -3.687  -0.710  1.00  0.00           C  
HETATM   19  C   UNL     1       3.514  -3.614  -1.854  1.00  0.00           C  
HETATM   20  C   UNL     1       3.323  -4.815  -2.781  1.00  0.00           C  
HETATM   21  N   UNL     1       1.101  -0.980  -0.982  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.261   1.027  -1.589  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.661   0.714  -1.128  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.575   1.640  -0.726  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.727   0.957  -0.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.974   1.347   0.086  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.944   0.395   0.339  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.225   0.516   0.798  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.597  -0.800   1.250  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.788  -1.681   0.449  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.674  -0.960   0.124  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.439  -1.358  -0.343  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.451  -0.402  -0.602  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.175  -0.479  -1.061  1.00  0.00           N  
HETATM   35  H   UNL     1       4.339  -1.684   2.803  1.00  0.00           H  
HETATM   36  H   UNL     1       3.812   2.487   1.520  1.00  0.00           H  
HETATM   37  H   UNL     1       5.384   4.035   0.426  1.00  0.00           H  
HETATM   38  H   UNL     1       4.627   5.432  -1.455  1.00  0.00           H  
HETATM   39  H   UNL     1       2.299   5.281  -2.242  1.00  0.00           H  
HETATM   40  H   UNL     1       0.727   3.733  -1.149  1.00  0.00           H  
HETATM   41  H   UNL     1       1.428   2.020   1.986  1.00  0.00           H  
HETATM   42  H   UNL     1       0.192   2.414   0.767  1.00  0.00           H  
HETATM   43  H   UNL     1       2.652  -4.608  -0.147  1.00  0.00           H  
HETATM   44  H   UNL     1       1.490  -3.673  -1.119  1.00  0.00           H  
HETATM   45  H   UNL     1       3.362  -2.693  -2.416  1.00  0.00           H  
HETATM   46  H   UNL     1       4.524  -3.628  -1.445  1.00  0.00           H  
HETATM   47  H   UNL     1       2.313  -4.802  -3.190  1.00  0.00           H  
HETATM   48  H   UNL     1       4.045  -4.764  -3.596  1.00  0.00           H  
HETATM   49  H   UNL     1       3.475  -5.737  -2.219  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.072   2.095  -1.478  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.152   0.745  -2.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.442   2.600  -0.687  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.186   2.392   0.254  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.362  -0.921   2.308  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.657  -0.980   1.071  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.235  -2.405  -0.508  1.00  0.00           H  
CONECT    1    6   21    2    2                                       
CONECT    2    1    1    3   14                                       
CONECT    3    5    2   15   15                                       
CONECT    4   21   21   14   22                                       
CONECT    5   16    3   35                                            
CONECT    6   18   16    1                                            
CONECT    7    8    8   12   36                                       
CONECT    8    9    7    7   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10    9    9   11   39                                       
CONECT   11   10   12   12   40                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   14   41   42                                       
CONECT   14    2    4   13                                            
CONECT   15    3    3                                                 
CONECT   16   17   17    6    5                                       
CONECT   17   16   16                                                 
CONECT   18    6   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   19   47   48   49                                       
CONECT   21    1    4    4                                            
CONECT   22   23    4   50   51                                       
CONECT   23   34   34   24   22                                       
CONECT   24   25   23   52                                            
CONECT   25   33   33   26   24                                       
CONECT   26   27   27   25   53                                       
CONECT   27   31   28   26   26                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   54   55                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   27                                       
CONECT   32   31   31   33   56                                       
CONECT   33   32   34   25   25                                       
CONECT   34   33   23   23                                            
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
