COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.958  -1.757  -0.339  1.00  0.00           C  
HETATM    2  C   UNL     1       4.643  -0.436   2.058  1.00  0.00           C  
HETATM    3  C   UNL     1       3.250   0.039   2.483  1.00  0.00           C  
HETATM    4  O   UNL     1       4.522  -1.885  -1.421  1.00  0.00           O  
HETATM    5  O   UNL     1       1.043   4.139  -2.127  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.487   1.324   1.142  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.853  -0.452  -0.603  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.019  -0.885  -1.612  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.959   0.675  -0.544  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.210  -0.954  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.106  -0.164   0.420  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.372  -0.638   0.695  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.754  -1.893   0.256  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.139  -2.405   0.560  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.872  -2.681  -0.462  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.605  -2.217  -0.749  1.00  0.00           C  
HETATM   17  C   UNL     1       4.304   0.649  -0.201  1.00  0.00           C  
HETATM   18  S   UNL     1       5.161  -1.928  -0.153  1.00  0.00           S  
HETATM   19  O   UNL     1       4.853  -2.947   0.789  1.00  0.00           O  
HETATM   20  C   UNL     1       7.521  -3.004  -1.023  1.00  0.00           C  
HETATM   21  N   UNL     1       4.688  -0.527   0.592  1.00  0.00           N  
HETATM   22  C   UNL     1       2.911   1.116   0.253  1.00  0.00           C  
HETATM   23  C   UNL     1       2.921   1.350   1.765  1.00  0.00           C  
HETATM   24  C   UNL     1       2.549   2.419  -0.463  1.00  0.00           C  
HETATM   25  CA  UNL     1       1.116   2.817  -0.105  1.00  0.00           C  
HETATM   26  C   UNL     1       0.797   4.181  -0.720  1.00  0.00           C  
HETATM   27  N   UNL     1       0.185   1.815  -0.631  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.056   1.643  -0.039  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.179   0.533   0.067  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.596   2.234   1.584  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.405   2.382   0.995  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.890  -0.186  -1.546  1.00  0.00           N  
HETATM   33  H   UNL     1       7.178  -0.878  -0.947  1.00  0.00           H  
HETATM   34  H   UNL     1       7.416  -1.643   0.643  1.00  0.00           H  
HETATM   35  H   UNL     1       5.393   0.276   2.403  1.00  0.00           H  
HETATM   36  H   UNL     1       4.843  -1.416   2.491  1.00  0.00           H  
HETATM   37  H   UNL     1       2.511  -0.717   2.218  1.00  0.00           H  
HETATM   38  H   UNL     1       3.235   0.200   3.561  1.00  0.00           H  
HETATM   39  H   UNL     1       0.861   4.972  -2.583  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.444   1.222   1.632  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.243  -1.658  -2.331  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.808   0.815   0.764  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.065  -0.029   1.255  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.817  -2.116  -0.243  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.115  -3.491   0.643  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.486  -1.977   1.500  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.177  -3.660  -0.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.918  -2.831  -1.313  1.00  0.00           H  
HETATM   49  H   UNL     1       5.027   1.450  -0.040  1.00  0.00           H  
HETATM   50  H   UNL     1       4.280   0.386  -1.258  1.00  0.00           H  
HETATM   51  H   UNL     1       7.063  -3.118  -2.006  1.00  0.00           H  
HETATM   52  H   UNL     1       8.600  -2.901  -1.136  1.00  0.00           H  
HETATM   53  H   UNL     1       7.301  -3.882  -0.416  1.00  0.00           H  
HETATM   54  H   UNL     1       2.175   0.350   0.008  1.00  0.00           H  
HETATM   55  H   UNL     1       1.941   1.704   2.085  1.00  0.00           H  
HETATM   56  H   UNL     1       3.675   2.097   2.012  1.00  0.00           H  
HETATM   57  H   UNL     1       3.234   3.207  -0.150  1.00  0.00           H  
HETATM   58  H   UNL     1       2.628   2.276  -1.541  1.00  0.00           H  
HETATM   59  HA  UNL     1       1.015   2.874   0.978  1.00  0.00           H  
HETATM   60  H1  UNL     1       1.430   4.942  -0.263  1.00  0.00           H  
HETATM   61  H2  UNL     1      -0.250   4.425  -0.540  1.00  0.00           H  
HETATM   62  H   UNL     1       0.438   1.272  -1.394  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.849   2.857   2.429  1.00  0.00           H  
CONECT    1   20   18   33   34                                       
CONECT    2    3   21   35   36                                       
CONECT    3   23    2   37   38                                       
CONECT    4   18   18                                                 
CONECT    5   26   39                                                 
CONECT    6   29   30   30   40                                       
CONECT    7    8    8   29   10                                       
CONECT    8   32    7    7   41                                       
CONECT    9   32   32   28   29                                       
CONECT   10    7   16   16   11                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   43                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13   44   45   46                                       
CONECT   15   16   13   13   47                                       
CONECT   16   10   10   15   48                                       
CONECT   17   22   21   49   50                                       
CONECT   18   21   19   19    1                                       
CONECT   18    4    4                                                 
CONECT   19   18   18                                                 
CONECT   20    1   51   52   53                                       
CONECT   21   17    2   18                                            
CONECT   22   24   23   17   54                                       
CONECT   23   22    3   55   56                                       
CONECT   24   25   22   57   58                                       
CONECT   25   26   24   27   59                                       
CONECT   26    5   25   60   61                                       
CONECT   27   25   28   62                                            
CONECT   28   27    9   31   31                                       
CONECT   29    9    7    6                                            
CONECT   30   31    6    6   63                                       
CONECT   31   28   28   30                                            
CONECT   32    9    9    8                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
