COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.122   0.621   0.738  1.00  0.00           C  
HETATM    2  CA  UNL     1      -5.857  -0.618   0.233  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.022  -1.902   1.188  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.119  -0.798   0.836  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.625   0.424   0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.504   1.587   0.525  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.781   0.384  -0.108  1.00  0.00           C  
HETATM    8  C   UNL     1       0.724   0.525   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1       1.207   1.860  -0.439  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412   2.997   0.208  1.00  0.00           C  
HETATM   11  C   UNL     1       0.845   4.333  -0.400  1.00  0.00           C  
HETATM   12  C   UNL     1       2.626  -0.935   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       3.211  -2.165  -0.556  1.00  0.00           C  
HETATM   14  C   UNL     1       4.540  -2.536   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1       5.483  -1.330   0.049  1.00  0.00           C  
HETATM   16  C   UNL     1       4.810  -0.132   0.724  1.00  0.00           C  
HETATM   17  C   UNL     1       5.720   1.093   0.615  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.663  -0.741  -1.257  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.332  -1.814   0.892  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.586  -2.893   1.743  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.982   2.795  -0.029  1.00  0.00           O  
HETATM   22  O   UNL     1       0.190   5.403   0.283  1.00  0.00           O  
HETATM   23  O   UNL     1       0.999   1.875  -1.852  1.00  0.00           O  
HETATM   24  O   UNL     1       1.413  -0.549  -0.508  1.00  0.00           O  
HETATM   25  O   UNL     1       3.565   0.140   0.077  1.00  0.00           O  
HETATM   26  O   UNL     1       5.146   2.179   1.345  1.00  0.00           O  
HETATM   27  O   UNL     1       5.766  -1.013  -1.315  1.00  0.00           O  
HETATM   28  O   UNL     1       5.130  -3.638  -0.583  1.00  0.00           O  
HETATM   29  O   UNL     1       2.298  -3.259  -0.442  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.839  -1.508  -1.697  1.00  0.00           O  
HETATM   31  OXT UNL     1      -6.405   0.001  -2.094  1.00  0.00           O  
HETATM   32  S   UNL     1      -1.384  -1.104   0.752  1.00  0.00           S  
HETATM   33  H   UNL     1      -5.430   1.488   0.154  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.370   0.786   1.787  1.00  0.00           H  
HETATM   35  HA  UNL     1      -6.920  -0.522   0.452  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.350   1.582   1.605  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.992   0.331  -1.176  1.00  0.00           H  
HETATM   38  H   UNL     1       0.924   0.495   1.207  1.00  0.00           H  
HETATM   39  H   UNL     1       2.268   1.987  -0.223  1.00  0.00           H  
HETATM   40  H   UNL     1       0.601   3.008   1.282  1.00  0.00           H  
HETATM   41  H   UNL     1       1.925   4.445  -0.299  1.00  0.00           H  
HETATM   42  H   UNL     1       0.575   4.356  -1.456  1.00  0.00           H  
HETATM   43  H   UNL     1       2.418  -1.173   1.186  1.00  0.00           H  
HETATM   44  H   UNL     1       3.381  -1.940  -1.609  1.00  0.00           H  
HETATM   45  H   UNL     1       4.364  -2.809   1.149  1.00  0.00           H  
HETATM   46  H   UNL     1       6.411  -1.567   0.569  1.00  0.00           H  
HETATM   47  H   UNL     1       4.631  -0.360   1.775  1.00  0.00           H  
HETATM   48  H   UNL     1       6.700   0.855   1.029  1.00  0.00           H  
HETATM   49  H   UNL     1       5.826   1.375  -0.432  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.930  -2.545   1.116  1.00  0.00           H  
HETATM   51  H   UNL     1       0.418   6.281  -0.050  1.00  0.00           H  
HETATM   52  H   UNL     1       1.283   2.693  -2.283  1.00  0.00           H  
HETATM   53  H   UNL     1       5.671   2.991   1.320  1.00  0.00           H  
HETATM   54  H   UNL     1       6.189  -1.730  -1.806  1.00  0.00           H  
HETATM   55  H   UNL     1       4.583  -4.436  -0.591  1.00  0.00           H  
HETATM   56  H   UNL     1       1.432  -3.091  -0.838  1.00  0.00           H  
HETATM   57  HXT UNL     1      -6.244  -0.113  -3.041  1.00  0.00           H  
HETATM   58  O   UNL     1      -2.891   1.485   0.225  1.00  0.00           O  
CONECT    1    2    5   33   34                                       
CONECT    2    1   18   19   35                                       
CONECT    3    4   19   20   20                                       
CONECT    4    3    5    5   32                                       
CONECT    5    1    4    4   58                                       
CONECT    6    7   21   36   58                                       
CONECT    7    6    8   32   37                                       
CONECT    8    7    9   24   38                                       
CONECT    9    8   10   23   39                                       
CONECT   10    9   11   21   40                                       
CONECT   11   10   22   41   42                                       
CONECT   12   13   24   25   43                                       
CONECT   13   12   14   29   44                                       
CONECT   14   13   15   28   45                                       
CONECT   15   14   16   27   46                                       
CONECT   16   15   17   25   47                                       
CONECT   17   16   26   48   49                                       
CONECT   18    2   30   30   31                                       
CONECT   19    2    3   50                                            
CONECT   20    3    3                                                 
CONECT   21    6   10                                                 
CONECT   22   11   51                                                 
CONECT   23    9   52                                                 
CONECT   24    8   12                                                 
CONECT   25   12   16                                                 
CONECT   26   17   53                                                 
CONECT   27   15   54                                                 
CONECT   28   14   55                                                 
CONECT   29   13   56                                                 
CONECT   30   18   18                                                 
CONECT   31   18   57                                                 
CONECT   32    4    7                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58    5    6                                                 
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
