COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.617   2.228  -0.923  1.00  0.00           C  
HETATM    2  C   UNL     1       3.028   1.951   0.462  1.00  0.00           C  
HETATM    3  C   UNL     1       3.747  -4.181   0.049  1.00  0.00           C  
HETATM    4  N   UNL     1       3.851   5.041  -2.959  1.00  0.00           N  
HETATM    5  C   UNL     1       3.642  -0.390   0.559  1.00  0.00           C  
HETATM    6  C   UNL     1       3.125  -1.786   0.205  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.968   0.125  -0.386  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.332  -0.976  -1.180  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.672  -1.087  -1.586  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.530  -0.147  -1.202  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.141   0.870  -0.455  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.895   1.017  -0.055  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.625  -0.015  -0.139  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.213  -1.157  -0.757  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.214  -1.717  -1.372  1.00  0.00           N  
HETATM   16  N   UNL     1      -6.089  -2.149  -2.369  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.789   0.897   0.646  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.877   0.555   2.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.541   1.122   2.694  1.00  0.00           C  
HETATM   20  C   UNL     1       0.360   1.215   1.447  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.393   0.700   0.337  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.991   1.213   2.763  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.740   2.416   3.265  1.00  0.00           O  
HETATM   24  C   UNL     1       1.625   0.380   1.655  1.00  0.00           C  
HETATM   25  N   UNL     1       2.530   0.570   0.514  1.00  0.00           N  
HETATM   26  CA  UNL     1       4.278  -2.789   0.277  1.00  0.00           C  
HETATM   27  OXT UNL     1       3.151  -4.845   1.052  1.00  0.00           O  
HETATM   28  O   UNL     1       3.857  -4.700  -1.037  1.00  0.00           O  
HETATM   29  N   UNL     1       5.271  -2.469  -0.757  1.00  0.00           N  
HETATM   30  N   UNL     1       3.998   3.644  -1.018  1.00  0.00           N  
HETATM   31  N   UNL     1       4.563   3.945  -2.323  1.00  0.00           N  
HETATM   32  H   UNL     1       4.498   1.604  -1.074  1.00  0.00           H  
HETATM   33  H   UNL     1       2.874   2.000  -1.686  1.00  0.00           H  
HETATM   34  H   UNL     1       3.800   2.087   1.219  1.00  0.00           H  
HETATM   35  H   UNL     1       2.207   2.641   0.652  1.00  0.00           H  
HETATM   36  H   UNL     1       4.243   5.250  -3.865  1.00  0.00           H  
HETATM   37  H   UNL     1       2.865   4.839  -3.030  1.00  0.00           H  
HETATM   38  H   UNL     1       4.069  -0.404   1.561  1.00  0.00           H  
HETATM   39  H   UNL     1       4.407  -0.093  -0.158  1.00  0.00           H  
HETATM   40  H   UNL     1       2.347  -2.075   0.912  1.00  0.00           H  
HETATM   41  H   UNL     1       2.714  -1.776  -0.804  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.871   1.611  -0.166  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.202  -1.538  -0.745  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.454  -2.828  -2.644  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.018  -2.214  -2.644  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.082   1.932   0.469  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.933  -0.522   2.308  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.107   0.442   3.428  1.00  0.00           H  
HETATM   49  H   UNL     1       0.629   2.255   1.262  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.088   1.030   3.707  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.346   2.425   4.019  1.00  0.00           H  
HETATM   52  H   UNL     1       2.123   0.697   2.571  1.00  0.00           H  
HETATM   53  H   UNL     1       1.355  -0.674   1.734  1.00  0.00           H  
HETATM   54  HA  UNL     1       4.746  -2.735   1.260  1.00  0.00           H  
HETATM   55  HXT UNL     1       2.827  -5.735   0.858  1.00  0.00           H  
HETATM   56  H1  UNL     1       4.861  -2.512  -1.678  1.00  0.00           H  
HETATM   57  H2  UNL     1       5.689  -1.566  -0.590  1.00  0.00           H  
HETATM   58  H   UNL     1       3.212   4.244  -0.817  1.00  0.00           H  
HETATM   59  H   UNL     1       4.567   3.126  -2.913  1.00  0.00           H  
CONECT    1   30    2   32   33                                       
CONECT    2    1   25   34   35                                       
CONECT    3   26   28   28   27                                       
CONECT    4   31   36   37                                            
CONECT    5   25    6   38   39                                       
CONECT    6    5   26   40   41                                       
CONECT    7    8   13   12   12                                       
CONECT    8    9    9   15    7                                       
CONECT    9   16    8    8   10                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   42                                       
CONECT   12    7    7   11                                            
CONECT   13   14    7   17                                            
CONECT   14   15   15   13   43                                       
CONECT   15    8   14   14                                            
CONECT   16    9   44   45                                            
CONECT   17   13   18   21   46                                       
CONECT   18   17   22   19   47                                       
CONECT   19   18   20   23   48                                       
CONECT   20   21   24   19   49                                       
CONECT   21   17   20                                                 
CONECT   22   18   50                                                 
CONECT   23   19   51                                                 
CONECT   24   20   25   52   53                                       
CONECT   25   24    2    5                                            
CONECT   26    6   29    3   54                                       
CONECT   27    3   55                                                 
CONECT   28    3    3                                                 
CONECT   29   26   56   57                                            
CONECT   30    1   31   58                                            
CONECT   31   30    4   59                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
