COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.098   0.701   0.743  1.00  0.00           N  
HETATM    2  N   UNL     1       1.268   0.604   5.868  1.00  0.00           N  
HETATM    3  CA  UNL     1      -0.118   0.402   5.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.397  -1.073   5.310  1.00  0.00           C  
HETATM    5  O   UNL     1       0.495  -1.835   5.024  1.00  0.00           O  
HETATM    6  OXT UNL     1      -1.637  -1.541   5.521  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.327   1.073   4.071  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.044   2.571   4.192  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.942   0.878  -4.276  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.726   0.048  -3.136  1.00  0.00           O  
HETATM   11  C   UNL     1       0.665   0.092  -2.828  1.00  0.00           C  
HETATM   12  O   UNL     1       0.899  -0.579  -1.588  1.00  0.00           O  
HETATM   13  C   UNL     1       1.463  -0.595  -3.938  1.00  0.00           C  
HETATM   14  O   UNL     1       2.854  -0.574  -3.611  1.00  0.00           O  
HETATM   15  C   UNL     1       1.233   0.153  -5.255  1.00  0.00           C  
HETATM   16  O   UNL     1       1.849  -0.560  -6.329  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.275   0.254  -5.504  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.813  -1.049  -5.730  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.445   1.013  -4.528  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.069   1.601  -3.385  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.012   0.121   0.672  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.316  -0.136   1.890  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.084   0.581   1.843  1.00  0.00           C  
HETATM   24  O   UNL     1       0.563   0.496   3.113  1.00  0.00           O  
HETATM   25  C   UNL     1       0.823  -0.020   0.767  1.00  0.00           C  
HETATM   26  C   UNL     1       0.135   0.107  -0.595  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.261  -0.516  -0.499  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.144  -1.923  -0.282  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.420  -0.472   0.755  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.125   0.126   1.844  1.00  0.00           O  
HETATM   31  C   UNL     1       3.124   0.283   1.510  1.00  0.00           C  
HETATM   32  O   UNL     1       2.992  -0.691   2.220  1.00  0.00           O  
HETATM   33  C   UNL     1       4.435   1.025   1.484  1.00  0.00           C  
HETATM   34  H   UNL     1       2.203   1.480   0.175  1.00  0.00           H  
HETATM   35  H1  UNL     1       1.858   0.183   5.166  1.00  0.00           H  
HETATM   36  H2  UNL     1       1.441   1.598   5.834  1.00  0.00           H  
HETATM   37  HA  UNL     1      -0.798   0.842   6.160  1.00  0.00           H  
HETATM   38  HXT UNL     1      -1.816  -2.488   5.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.356   0.923   3.745  1.00  0.00           H  
HETATM   40  H   UNL     1       0.985   2.721   4.517  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.192   3.049   3.224  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.723   3.011   4.922  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.515   1.864  -4.093  1.00  0.00           H  
HETATM   44  H   UNL     1       0.985   1.131  -2.743  1.00  0.00           H  
HETATM   45  H   UNL     1       1.129  -1.628  -4.042  1.00  0.00           H  
HETATM   46  H   UNL     1       2.953  -1.055  -2.778  1.00  0.00           H  
HETATM   47  H   UNL     1       1.661   1.153  -5.188  1.00  0.00           H  
HETATM   48  H   UNL     1       2.795  -0.600  -6.132  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.459   0.881  -6.377  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.366  -1.404  -6.511  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.611   1.647  -5.400  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.873   0.027  -4.709  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.012   1.669  -3.586  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.081   1.197   0.515  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.282   1.626   1.606  1.00  0.00           H  
HETATM   56  H   UNL     1       1.004  -1.072   0.987  1.00  0.00           H  
HETATM   57  H   UNL     1       0.047   1.160  -0.865  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.807  -0.333  -1.424  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.044  -2.272  -0.221  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.953  -0.275  -0.174  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.351  -1.548   0.914  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.005  -0.274   1.861  1.00  0.00           H  
HETATM   63  H   UNL     1       5.139   0.543   2.164  1.00  0.00           H  
HETATM   64  H   UNL     1       4.840   1.012   0.473  1.00  0.00           H  
HETATM   65  H   UNL     1       4.275   2.056   1.799  1.00  0.00           H  
CONECT    1   25   31   34                                            
CONECT    2    3   35   36                                            
CONECT    3    2    4    7   37                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   38                                                 
CONECT    7    3    8   24   39                                       
CONECT    8    7   40   41   42                                       
CONECT    9   10   17   19   43                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   44                                       
CONECT   12   11   26                                                 
CONECT   13   11   14   15   45                                       
CONECT   14   13   46                                                 
CONECT   15   13   16   17   47                                       
CONECT   16   15   48                                                 
CONECT   17    9   15   18   49                                       
CONECT   18   17   50                                                 
CONECT   19    9   20   51   52                                       
CONECT   20   19   53                                                 
CONECT   21   22   27   29   54                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   25   55                                       
CONECT   24    7   23                                                 
CONECT   25    1   23   26   56                                       
CONECT   26   12   25   27   57                                       
CONECT   27   21   26   28   58                                       
CONECT   28   27   59                                                 
CONECT   29   21   30   60   61                                       
CONECT   30   29   62                                                 
CONECT   31    1   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   63   64   65                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
