COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.969  -2.743  -0.350  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.689  -1.624   0.620  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.606  -1.319   1.609  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.350  -0.293   2.497  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.175   0.431   2.398  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.259   0.127   1.409  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.513  -0.905   0.524  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.343  -1.292  -0.736  1.00  0.00           S  
HETATM    9  O   UNL     1      -1.596  -2.404  -0.262  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.063  -1.305  -1.961  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.284  -0.023  -0.829  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.499   1.040  -1.814  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.247   2.179  -1.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.551   3.204  -0.558  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.236   4.249   0.034  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.618   4.268   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.315   3.242  -0.599  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.629   2.200  -1.195  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.132   0.037   0.074  1.00  0.00           C  
HETATM   20  C   UNL     1       1.089  -0.575  -0.616  1.00  0.00           C  
HETATM   21  N   UNL     1       2.241  -0.514   0.287  1.00  0.00           N  
HETATM   22  C   UNL     1       3.080   0.596   0.271  1.00  0.00           C  
HETATM   23  C   UNL     1       4.174   0.652   1.129  1.00  0.00           C  
HETATM   24  C   UNL     1       5.006   1.749   1.117  1.00  0.00           C  
HETATM   25  C   UNL     1       4.750   2.808   0.241  1.00  0.00           C  
HETATM   26  C   UNL     1       5.614   3.950   0.224  1.00  0.00           C  
HETATM   27  N   UNL     1       6.298   4.857   0.212  1.00  0.00           N  
HETATM   28  C   UNL     1       3.650   2.749  -0.620  1.00  0.00           C  
HETATM   29  C   UNL     1       2.826   1.646  -0.607  1.00  0.00           C  
HETATM   30  C   UNL     1       2.511  -1.623   1.205  1.00  0.00           C  
HETATM   31  C   UNL     1       3.411  -2.627   0.531  1.00  0.00           C  
HETATM   32  C   UNL     1       4.752  -2.697   0.631  1.00  0.00           C  
HETATM   33  N   UNL     1       5.170  -3.727  -0.119  1.00  0.00           N  
HETATM   34  C   UNL     1       4.140  -4.298  -0.679  1.00  0.00           C  
HETATM   35  N   UNL     1       3.021  -3.646  -0.295  1.00  0.00           N  
HETATM   36  C   UNL     1       1.648  -3.968  -0.691  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.412  -2.335  -1.258  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.037  -3.252  -0.596  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.661  -3.452   0.105  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.524  -1.884   1.686  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.066  -0.055   3.269  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.975   1.233   3.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.341   0.692   1.331  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.536   1.398  -2.179  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.081   0.649  -2.649  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.471   3.189  -0.541  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.692   5.049   0.512  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.154   5.084   0.475  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.394   3.257  -0.615  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.173   1.401  -1.677  1.00  0.00           H  
HETATM   51  H   UNL     1       0.077   1.077   0.327  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.353  -0.521   0.983  1.00  0.00           H  
HETATM   53  H   UNL     1       0.880  -1.614  -0.870  1.00  0.00           H  
HETATM   54  H   UNL     1       1.310  -0.016  -1.526  1.00  0.00           H  
HETATM   55  H   UNL     1       4.371  -0.166   1.806  1.00  0.00           H  
HETATM   56  H   UNL     1       5.855   1.791   1.783  1.00  0.00           H  
HETATM   57  H   UNL     1       3.450   3.565  -1.298  1.00  0.00           H  
HETATM   58  H   UNL     1       1.979   1.598  -1.275  1.00  0.00           H  
HETATM   59  H   UNL     1       2.999  -1.241   2.102  1.00  0.00           H  
HETATM   60  H   UNL     1       1.572  -2.104   1.480  1.00  0.00           H  
HETATM   61  H   UNL     1       5.380  -2.038   1.213  1.00  0.00           H  
HETATM   62  H   UNL     1       4.175  -5.153  -1.338  1.00  0.00           H  
HETATM   63  H   UNL     1       1.395  -3.423  -1.601  1.00  0.00           H  
HETATM   64  H   UNL     1       1.564  -5.039  -0.873  1.00  0.00           H  
HETATM   65  H   UNL     1       0.963  -3.680   0.107  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    7   43                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   19                                            
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   49                                       
CONECT   18   13   17   17   50                                       
CONECT   19   11   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   30   22                                            
CONECT   22   21   29   29   23                                       
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   25   56                                       
CONECT   25   24   28   28   26                                       
CONECT   26   25   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28   25   25   29   57                                       
CONECT   29   22   22   28   58                                       
CONECT   30   21   31   59   60                                       
CONECT   31   30   35   32   32                                       
CONECT   32   31   31   33   61                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   35   62                                       
CONECT   35   31   34   36                                            
CONECT   36   35   63   64   65                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
