COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.250  -2.768   1.533  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.664  -1.453   0.870  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.790  -0.436   1.866  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.602  -1.040  -0.150  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.009   0.255  -0.804  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.036   0.801  -0.474  1.00  0.00           O  
HETATM    7  O   UNL     1      -4.232   0.802  -1.752  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.259  -0.853   0.559  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.097  -1.166  -0.400  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.633  -1.570  -1.775  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.067   0.556   0.928  1.00  0.00           N  
HETATM   12  CA  UNL     1      -1.926   1.053   0.277  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   2.382   0.417  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.523   2.772  -0.254  1.00  0.00           O  
HETATM   15  OXT UNL     1      -2.055   3.216   1.297  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.324   0.129  -0.495  1.00  0.00           C  
HETATM   17  S   UNL     1       0.128   0.388  -1.459  1.00  0.00           S  
HETATM   18  C   UNL     1       1.273  -0.727  -0.609  1.00  0.00           C  
HETATM   19  C   UNL     1       2.615  -0.839  -1.379  1.00  0.00           C  
HETATM   20  C   UNL     1       1.736  -0.123   0.741  1.00  0.00           C  
HETATM   21  N   UNL     1       3.042  -0.762   1.012  1.00  0.00           N  
HETATM   22  C   UNL     1       3.623  -1.203  -0.269  1.00  0.00           C  
HETATM   23  C   UNL     1       4.950  -0.481  -0.514  1.00  0.00           C  
HETATM   24  N   UNL     1       5.855  -0.724   0.618  1.00  0.00           N  
HETATM   25  C   UNL     1       7.142  -0.044   0.417  1.00  0.00           C  
HETATM   26  O   UNL     1       7.996  -0.301   1.534  1.00  0.00           O  
HETATM   27  O   UNL     1       7.758  -0.534  -0.776  1.00  0.00           O  
HETATM   28  N   UNL     1       6.918   1.402   0.294  1.00  0.00           N  
HETATM   29  H   UNL     1      -6.007  -3.063   2.260  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.155  -3.544   0.774  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.294  -2.635   2.039  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.621  -1.587   0.364  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.448  -0.632   2.547  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.506  -1.816  -0.910  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.496   1.670  -2.089  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.206  -1.488   1.444  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.467  -1.955   0.010  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.281  -0.781  -2.158  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.799  -1.720  -2.460  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.202  -2.495  -1.685  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.638   1.063   1.526  1.00  0.00           H  
HETATM   42  HXT UNL     1      -1.668   4.102   1.322  1.00  0.00           H  
HETATM   43  H   UNL     1       0.823  -1.709  -0.464  1.00  0.00           H  
HETATM   44  H   UNL     1       2.565  -1.629  -2.128  1.00  0.00           H  
HETATM   45  H   UNL     1       2.874   0.113  -1.842  1.00  0.00           H  
HETATM   46  H   UNL     1       1.853   0.957   0.653  1.00  0.00           H  
HETATM   47  H   UNL     1       1.023  -0.364   1.529  1.00  0.00           H  
HETATM   48  H   UNL     1       3.662  -0.127   1.492  1.00  0.00           H  
HETATM   49  H   UNL     1       3.786  -2.281  -0.251  1.00  0.00           H  
HETATM   50  H   UNL     1       5.405  -0.858  -1.430  1.00  0.00           H  
HETATM   51  H   UNL     1       4.769   0.589  -0.612  1.00  0.00           H  
HETATM   52  H   UNL     1       5.430  -0.442   1.488  1.00  0.00           H  
HETATM   53  H   UNL     1       8.865   0.118   1.469  1.00  0.00           H  
HETATM   54  H   UNL     1       7.936  -1.484  -0.765  1.00  0.00           H  
HETATM   55  H   UNL     1       6.371   1.615  -0.526  1.00  0.00           H  
HETATM   56  H   UNL     1       6.483   1.773   1.125  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    4   32                                       
CONECT    3    2   33                                                 
CONECT    4    2    8    5   34                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   35                                                 
CONECT    8   11    4    9   36                                       
CONECT    9    8   16   10   37                                       
CONECT   10    9   38   39   40                                       
CONECT   11    8   12   41                                            
CONECT   12   11   16   16   13                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   42                                                 
CONECT   16    9   12   12   17                                       
CONECT   17   18   16                                                 
CONECT   18   20   19   17   43                                       
CONECT   19   22   18   44   45                                       
CONECT   20   21   18   46   47                                       
CONECT   21   20   22   48                                            
CONECT   22   21   23   19   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   52                                            
CONECT   25   26   24   28   27                                       
CONECT   26   25   53                                                 
CONECT   27   25   54                                                 
CONECT   28   25   55   56                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
