COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.049   0.997   0.504  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.481   1.466   0.273  1.00  0.00           C  
HETATM    3  C   UNL     1       5.737  -0.190   0.198  1.00  0.00           C  
HETATM    4  C   UNL     1       7.088  -0.289   0.572  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.744  -0.896  -0.011  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.158  -0.222   0.735  1.00  0.00           C  
HETATM    7  C   UNL     1       3.706  -0.415  -0.528  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.473  -1.529   0.411  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.762  -1.864   0.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.434   0.424   0.319  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.131   0.756   0.694  1.00  0.00           C  
HETATM   12  N   UNL     1       7.650   0.742   1.196  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.752   0.134   1.145  1.00  0.00           C  
HETATM   14  N   UNL     1       5.696   1.975   1.130  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.915  -4.085  -1.356  1.00  0.00           N  
HETATM   16  CA  UNL     1       0.358  -3.538  -0.868  1.00  0.00           C  
HETATM   17  C   UNL     1       1.227  -4.661  -0.363  1.00  0.00           C  
HETATM   18  OXT UNL     1       2.552  -4.484  -0.246  1.00  0.00           O  
HETATM   19  C   UNL     1       0.087  -2.552   0.270  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.864  -0.313   0.838  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.569   0.860   0.305  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.940   0.514  -0.095  1.00  0.00           C  
HETATM   23  O   UNL     1       0.731  -5.722  -0.064  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.705  -1.358  -0.268  1.00  0.00           C  
HETATM   25  C   UNL     1       2.681   1.800   0.115  1.00  0.00           C  
HETATM   26  C   UNL     1       6.963   1.837   1.461  1.00  0.00           C  
HETATM   27  C   UNL     1       2.652   2.691  -1.147  1.00  0.00           C  
HETATM   28  C   UNL     1       1.146   2.907  -1.419  1.00  0.00           C  
HETATM   29  C   UNL     1       0.444   2.121  -0.290  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.829   1.455  -0.816  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.738   1.143  -0.089  1.00  0.00           N  
HETATM   32  N   UNL     1       7.816  -1.434   0.298  1.00  0.00           N  
HETATM   33  N   UNL     1       4.860  -1.009  -0.430  1.00  0.00           N  
HETATM   34  N   UNL     1       3.773   0.827   0.030  1.00  0.00           N  
HETATM   35  O   UNL     1      -8.208   2.615   0.561  1.00  0.00           O  
HETATM   36  O   UNL     1       3.299   3.939  -0.893  1.00  0.00           O  
HETATM   37  O   UNL     1       0.818   4.296  -1.342  1.00  0.00           O  
HETATM   38  O   UNL     1       1.405   1.123   0.118  1.00  0.00           O  
HETATM   39  H   UNL     1      -8.749  -1.159  -0.305  1.00  0.00           H  
HETATM   40  H   UNL     1       2.827  -0.841  -0.988  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.710  -2.292   0.453  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.999  -2.885  -0.226  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.885   1.776   0.951  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.777   0.976   1.835  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.289  -0.723   1.634  1.00  0.00           H  
HETATM   46  H1  UNL     1      -1.377  -4.621  -0.637  1.00  0.00           H  
HETATM   47  H2  UNL     1      -1.514  -3.352  -1.703  1.00  0.00           H  
HETATM   48  HA  UNL     1       0.868  -3.023  -1.682  1.00  0.00           H  
HETATM   49  HXT UNL     1       3.068  -5.233   0.083  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.490  -3.048   1.051  1.00  0.00           H  
HETATM   51  H   UNL     1       1.034  -2.204   0.683  1.00  0.00           H  
HETATM   52  H   UNL     1       0.119  -0.013   1.199  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.439  -0.739   1.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.915  -0.329  -0.786  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.403   1.371  -0.584  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.170  -0.918  -1.110  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.689  -1.693  -0.596  1.00  0.00           H  
HETATM   58  H   UNL     1       2.788   2.413   1.010  1.00  0.00           H  
HETATM   59  H   UNL     1       7.458   2.651   1.970  1.00  0.00           H  
HETATM   60  H   UNL     1       3.124   2.180  -1.986  1.00  0.00           H  
HETATM   61  H   UNL     1       0.872   2.503  -2.393  1.00  0.00           H  
HETATM   62  H   UNL     1       0.208   2.784   0.543  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.562   0.676  -1.530  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.453   2.201  -1.309  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.956   0.226  -0.319  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.426   1.827  -0.119  1.00  0.00           H  
HETATM   67  H   UNL     1       7.395  -2.179  -0.157  1.00  0.00           H  
HETATM   68  H   UNL     1       8.748  -1.490   0.562  1.00  0.00           H  
HETATM   69  H   UNL     1       3.310   4.538  -1.653  1.00  0.00           H  
HETATM   70  H   UNL     1       1.278   4.846  -1.990  1.00  0.00           H  
CONECT    1    3   34   14   14                                       
CONECT    2   35   35   31   10                                       
CONECT    3   33    4    4    1                                       
CONECT    4   32    3    3   12                                       
CONECT    5   10    9    9   39                                       
CONECT    6   11   13    8    8                                       
CONECT    7   33   33   34   40                                       
CONECT    8    6    6    9   41                                       
CONECT    9    5    5    8   42                                       
CONECT   10    2   11   11    5                                       
CONECT   11   10   10    6   43                                       
CONECT   12    4   26   26                                            
CONECT   13   22    6   44   45                                       
CONECT   14    1    1   26                                            
CONECT   15   16   46   47                                            
CONECT   16   19   15   17   48                                       
CONECT   17   16   23   23   18                                       
CONECT   18   17   49                                                 
CONECT   19   24   16   50   51                                       
CONECT   20   21   24   52   53                                       
CONECT   21   30   22   20                                            
CONECT   22   21   13   54   55                                       
CONECT   23   17   17                                                 
CONECT   24   20   19   56   57                                       
CONECT   25   34   27   38   58                                       
CONECT   26   12   12   14   59                                       
CONECT   27   36   25   28   60                                       
CONECT   28   27   29   37   61                                       
CONECT   29   38   28   30   62                                       
CONECT   30   29   21   63   64                                       
CONECT   31    2   65   66                                            
CONECT   32    4   67   68                                            
CONECT   33    7    7    3                                            
CONECT   34    7    1   25                                            
CONECT   35    2    2                                                 
CONECT   36   27   69                                                 
CONECT   37   28   70                                                 
CONECT   38   25   29                                                 
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
