COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.100   1.943   2.623  1.00  0.00           N  
HETATM    2  C   UNL     1       2.016   2.398   0.422  1.00  0.00           C  
HETATM    3  C   UNL     1       2.342   0.974   0.628  1.00  0.00           C  
HETATM    4  C   UNL     1       2.373   0.780   1.998  1.00  0.00           C  
HETATM    5  C   UNL     1       2.582  -0.032  -0.407  1.00  0.00           C  
HETATM    6  C   UNL     1       2.419  -1.789  -1.870  1.00  0.00           C  
HETATM    7  C   UNL     1       3.799  -0.180  -1.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.230  -2.807   0.894  1.00  0.00           C  
HETATM    9  C   UNL     1       0.084  -2.607   0.402  1.00  0.00           C  
HETATM   10  C   UNL     1       1.046  -3.606   0.563  1.00  0.00           C  
HETATM   11  C   UNL     1       0.707  -4.768   1.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.583  -4.969   1.679  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.544  -4.012   1.537  1.00  0.00           C  
HETATM   14  C   UNL     1       1.877   2.950   1.705  1.00  0.00           C  
HETATM   15  C   UNL     1       1.719  -1.053  -0.804  1.00  0.00           C  
HETATM   16  N   UNL     1       3.621  -1.225  -2.073  1.00  0.00           N  
HETATM   17  O   UNL     1       4.787   0.525  -1.197  1.00  0.00           O  
HETATM   18  O   UNL     1       1.982  -2.754  -2.467  1.00  0.00           O  
HETATM   19  C   UNL     1       0.380  -1.338  -0.266  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.608  -0.451  -0.368  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.817  -0.707   0.117  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.136  -1.834   0.721  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.797   0.259  -0.024  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.066  -0.188   0.567  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.099   0.937   0.461  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.278   1.304  -0.950  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.009   1.751  -1.541  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.976   0.626  -1.436  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.318   2.330  -1.100  1.00  0.00           C  
HETATM   30  C   UNL     1       1.842   3.195  -0.706  1.00  0.00           C  
HETATM   31  C   UNL     1       1.534   4.530  -0.556  1.00  0.00           C  
HETATM   32  C   UNL     1       1.396   5.078   0.710  1.00  0.00           C  
HETATM   33  C   UNL     1       1.565   4.299   1.835  1.00  0.00           C  
HETATM   34  H   UNL     1       2.061   2.055   3.586  1.00  0.00           H  
HETATM   35  H   UNL     1       2.584  -0.157   2.490  1.00  0.00           H  
HETATM   36  H   UNL     1       2.049  -3.462   0.191  1.00  0.00           H  
HETATM   37  H   UNL     1       1.449  -5.543   1.320  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.826  -5.897   2.175  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.540  -4.181   1.918  1.00  0.00           H  
HETATM   40  H   UNL     1       4.270  -1.530  -2.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.428  -1.064   0.030  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.910  -0.441   1.615  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.050   0.598   0.872  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.749   1.805   1.021  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.165   2.005  -2.589  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.647   2.628  -1.004  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.025   0.966  -1.847  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.325  -0.242  -1.995  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.033   3.221  -0.541  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.431   2.583  -2.154  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.264   1.948  -0.715  1.00  0.00           H  
HETATM   52  H   UNL     1       1.950   2.770  -1.693  1.00  0.00           H  
HETATM   53  H   UNL     1       1.399   5.152  -1.429  1.00  0.00           H  
HETATM   54  H   UNL     1       1.155   6.126   0.816  1.00  0.00           H  
HETATM   55  H   UNL     1       1.455   4.736   2.816  1.00  0.00           H  
CONECT    1    4   14   34                                            
CONECT    2    3   14   14   30                                       
CONECT    3    2    4    4    5                                       
CONECT    4    1    3    3   35                                       
CONECT    5    3    7   15   15                                       
CONECT    6   15   16   18   18                                       
CONECT    7    5   16   17   17                                       
CONECT    8    9    9   13   22                                       
CONECT    9    8    8   10   19                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   13   38                                       
CONECT   13    8   12   12   39                                       
CONECT   14    1    2    2   33                                       
CONECT   15    5    5    6   19                                       
CONECT   16    6    7   40                                            
CONECT   17    7    7                                                 
CONECT   18    6    6                                                 
CONECT   19    9   15   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22    8   21   21                                            
CONECT   23   21   24   28                                            
CONECT   24   23   25   41   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   25   27   29                                            
CONECT   27   26   28   45   46                                       
CONECT   28   23   27   47   48                                       
CONECT   29   26   49   50   51                                       
CONECT   30    2   31   31   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   33   33   54                                       
CONECT   33   14   32   32   55                                       
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
