COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.071  -1.109  -0.260  1.00  0.00           O  
HETATM    2  C   UNL     1       6.928  -0.856   0.073  1.00  0.00           C  
HETATM    3  N   UNL     1       6.601   0.382   0.497  1.00  0.00           N  
HETATM    4  C   UNL     1       5.336   0.661   0.864  1.00  0.00           C  
HETATM    5  N   UNL     1       4.378  -0.283   0.817  1.00  0.00           N  
HETATM    6  C   UNL     1       4.669  -1.551   0.393  1.00  0.00           C  
HETATM    7  C   UNL     1       5.928  -1.856   0.013  1.00  0.00           C  
HETATM    8  O   UNL     1       5.056   1.781   1.245  1.00  0.00           O  
HETATM    9  C   UNL     1       3.011   0.051   1.224  1.00  0.00           C  
HETATM   10  C   UNL     1       2.225   0.549   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1       0.797   0.897   0.435  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.135   1.489  -1.005  1.00  0.00           S  
HETATM   13  N   UNL     1      -1.592   1.974  -0.384  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.858   3.266   0.274  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.381   3.492   0.103  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.930   2.050   0.264  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.835   1.190  -0.402  1.00  0.00           C  
HETATM   18  O   UNL     1       0.442   2.682  -1.517  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.464   0.407  -1.865  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.644  -0.107   0.387  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.998   0.182   1.629  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.988  -0.735   0.655  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.181  -1.496   1.792  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.414  -2.072   2.037  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.453  -1.887   1.145  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.260  -1.125   0.007  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.029  -0.545  -0.235  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.794  -1.061  -0.411  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.702  -1.672   0.177  1.00  0.00           C  
HETATM   30  C   UNL     1       0.078  -2.547  -0.556  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.234  -2.811  -1.876  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.326  -2.200  -2.464  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.109  -1.329  -1.730  1.00  0.00           C  
HETATM   34  H   UNL     1       7.279   1.074   0.537  1.00  0.00           H  
HETATM   35  H   UNL     1       3.894  -2.302   0.358  1.00  0.00           H  
HETATM   36  H   UNL     1       6.170  -2.852  -0.328  1.00  0.00           H  
HETATM   37  H   UNL     1       2.526  -0.837   1.631  1.00  0.00           H  
HETATM   38  H   UNL     1       3.038   0.831   1.985  1.00  0.00           H  
HETATM   39  H   UNL     1       2.709   1.437  -0.397  1.00  0.00           H  
HETATM   40  H   UNL     1       2.197  -0.231  -0.751  1.00  0.00           H  
HETATM   41  H   UNL     1       0.312   0.010   0.841  1.00  0.00           H  
HETATM   42  H   UNL     1       0.824   1.678   1.195  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.598   3.214   1.332  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.298   4.063  -0.216  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.769   4.147   0.883  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.608   3.889  -0.886  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.038   1.794   1.318  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.878   1.938  -0.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.115   0.962  -1.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.126   0.589   1.533  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.369  -1.641   2.490  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.564  -2.667   2.926  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.416  -2.338   1.336  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.072  -0.980  -0.690  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.879   0.053  -1.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.459  -1.466   1.209  1.00  0.00           H  
HETATM   57  H   UNL     1       0.931  -3.024  -0.097  1.00  0.00           H  
HETATM   58  H   UNL     1       0.376  -3.494  -2.449  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.569  -2.407  -3.496  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.964  -0.855  -2.188  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   34                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    9                                            
CONECT    6    5    7    7   35                                       
CONECT    7    2    6    6   36                                       
CONECT    8    4    4                                                 
CONECT    9    5   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   18   18                                       
CONECT   12   19   19                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   13   16   20   49                                       
CONECT   18   12   12                                                 
CONECT   19   12   12                                                 
CONECT   20   17   21   22   28                                       
CONECT   21   20   50                                                 
CONECT   22   20   23   23   27                                       
CONECT   23   22   22   24   51                                       
CONECT   24   23   25   25   52                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   22   26   26   55                                       
CONECT   28   20   29   29   33                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31   57                                       
CONECT   31   30   30   32   58                                       
CONECT   32   31   33   33   59                                       
CONECT   33   28   32   32   60                                       
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
