COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.026  -4.590  -0.304  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.233  -3.835   0.206  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.503  -2.831  -0.643  1.00  0.00           C  
HETATM    4  N   UNL     1       0.469  -3.258  -2.048  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.167  -1.462  -0.510  1.00  0.00           C  
HETATM    6  C   UNL     1       0.652  -0.417  -1.270  1.00  0.00           C  
HETATM    7  N   UNL     1       0.100   0.920  -1.013  1.00  0.00           N  
HETATM    8  C   UNL     1       1.081   1.965  -1.336  1.00  0.00           C  
HETATM    9  C   UNL     1       2.055   2.129  -0.167  1.00  0.00           C  
HETATM   10  O   UNL     1       2.829   0.929  -0.004  1.00  0.00           O  
HETATM   11  C   UNL     1       4.142   1.331   0.441  1.00  0.00           C  
HETATM   12  C   UNL     1       4.435   2.601  -0.398  1.00  0.00           C  
HETATM   13  O   UNL     1       5.378   3.445   0.266  1.00  0.00           O  
HETATM   14  C   UNL     1       3.040   3.277  -0.463  1.00  0.00           C  
HETATM   15  O   UNL     1       2.933   4.300   0.528  1.00  0.00           O  
HETATM   16  N   UNL     1       5.126   0.285   0.153  1.00  0.00           N  
HETATM   17  C   UNL     1       4.984  -0.731  -0.745  1.00  0.00           C  
HETATM   18  N   UNL     1       6.050  -1.477  -0.745  1.00  0.00           N  
HETATM   19  C   UNL     1       6.942  -0.989   0.150  1.00  0.00           C  
HETATM   20  C   UNL     1       8.229  -1.366   0.569  1.00  0.00           C  
HETATM   21  N   UNL     1       8.853  -2.476   0.026  1.00  0.00           N  
HETATM   22  C   UNL     1       6.362   0.151   0.733  1.00  0.00           C  
HETATM   23  N   UNL     1       7.043   0.822   1.656  1.00  0.00           N  
HETATM   24  C   UNL     1       8.245   0.428   2.020  1.00  0.00           C  
HETATM   25  N   UNL     1       8.833  -0.633   1.498  1.00  0.00           N  
HETATM   26  OXT UNL     1      -0.011  -3.887   1.528  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.151   1.125  -1.755  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.332   0.656  -0.903  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.641   0.969  -1.630  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.772   0.521  -0.813  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.816   1.285  -0.417  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.620   0.476   0.312  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.036  -0.728   0.326  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.946  -0.669  -0.354  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.918   0.857   0.977  1.00  0.00           C  
HETATM   36  CA  UNL     1      -9.028  -0.085   0.506  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.257   0.109  -0.932  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.296   0.216   1.262  1.00  0.00           C  
HETATM   39  O   UNL     1     -11.161   0.887   0.749  1.00  0.00           O  
HETATM   40  OXT UNL     1     -10.466  -0.261   2.505  1.00  0.00           O  
HETATM   41  HA  UNL     1       1.539  -2.763  -0.309  1.00  0.00           H  
HETATM   42  H1  UNL     1       0.962  -4.129  -2.174  1.00  0.00           H  
HETATM   43  H2  UNL     1      -0.481  -3.329  -2.381  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.173  -1.508  -0.925  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.221  -1.185   0.543  1.00  0.00           H  
HETATM   46  H   UNL     1       1.689  -0.453  -0.935  1.00  0.00           H  
HETATM   47  H   UNL     1       0.609  -0.629  -2.339  1.00  0.00           H  
HETATM   48  H   UNL     1       1.633   1.682  -2.232  1.00  0.00           H  
HETATM   49  H   UNL     1       0.562   2.908  -1.511  1.00  0.00           H  
HETATM   50  H   UNL     1       1.503   2.341   0.748  1.00  0.00           H  
HETATM   51  H   UNL     1       4.132   1.568   1.505  1.00  0.00           H  
HETATM   52  H   UNL     1       4.787   2.336  -1.395  1.00  0.00           H  
HETATM   53  H   UNL     1       5.593   4.253  -0.220  1.00  0.00           H  
HETATM   54  H   UNL     1       2.860   3.686  -1.457  1.00  0.00           H  
HETATM   55  H   UNL     1       3.572   5.018   0.422  1.00  0.00           H  
HETATM   56  H   UNL     1       4.114  -0.893  -1.365  1.00  0.00           H  
HETATM   57  H   UNL     1       8.402  -3.003  -0.652  1.00  0.00           H  
HETATM   58  H   UNL     1       9.742  -2.726   0.324  1.00  0.00           H  
HETATM   59  H   UNL     1       8.772   0.997   2.773  1.00  0.00           H  
HETATM   60  HXT UNL     1      -0.510  -4.545   2.032  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.267   2.183  -1.987  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.122   0.551  -2.682  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.256  -0.418  -0.736  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.316   1.175   0.056  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.717   2.043  -1.796  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.657   0.450  -2.588  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.976   2.330  -0.638  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.808   0.777   2.059  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.175   1.882   0.713  1.00  0.00           H  
HETATM   70  HA  UNL     1      -8.731  -1.117   0.691  1.00  0.00           H  
HETATM   71  H1  UNL     1      -9.941  -0.546  -1.281  1.00  0.00           H  
HETATM   72  H2  UNL     1      -9.533   1.059  -1.129  1.00  0.00           H  
HETATM   73  HXT UNL     1     -11.296  -0.041   2.950  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   26                                       
CONECT    3    5    4    2   41                                       
CONECT    4    3   42   43                                            
CONECT    5    6    3   44   45                                       
CONECT    6    7    5   46   47                                       
CONECT    7    8   27    6                                            
CONECT    8    9    7   48   49                                       
CONECT    9   10   14    8   50                                       
CONECT   10   11    9                                                 
CONECT   11   16   12   10   51                                       
CONECT   12   11   13   14   52                                       
CONECT   13   12   53                                                 
CONECT   14   12    9   15   54                                       
CONECT   15   14   55                                                 
CONECT   16   17   22   11                                            
CONECT   17   18   18   16   56                                       
CONECT   18   19   17   17                                            
CONECT   19   20   20   18   22                                       
CONECT   20   21   19   19   25                                       
CONECT   21   20   57   58                                            
CONECT   22   19   16   23   23                                       
CONECT   23   24   22   22                                            
CONECT   24   25   25   23   59                                       
CONECT   25   20   24   24                                            
CONECT   26    2   60                                                 
CONECT   27   28    7   61   62                                       
CONECT   28   29   27   63   64                                       
CONECT   29   30   28   65   66                                       
CONECT   30   31   29   34                                            
CONECT   31   32   32   30   67                                       
CONECT   32   35   31   31   33                                       
CONECT   33   32   34   34                                            
CONECT   34   30   33   33                                            
CONECT   35   36   32   68   69                                       
CONECT   36   37   35   38   70                                       
CONECT   37   36   71   72                                            
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   73                                                 
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
