COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.688   1.192   1.314  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.285  -3.197  -0.338  1.00  0.00           N  
HETATM    3  C   UNL     1       0.058  -5.231   1.612  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.696  -4.332   0.666  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.146  -3.630  -0.412  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.144  -2.941  -1.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.007  -2.047  -2.217  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.849  -0.658  -1.780  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.924   0.145  -1.711  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.010  -0.309  -2.017  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.852   1.427  -1.319  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.073   2.234  -1.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.704   2.110   0.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.463   2.898   1.144  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.143   2.584   2.229  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.944   1.576   2.150  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.803   1.066   3.278  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.896   0.906   0.577  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.674   1.986  -0.966  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.617   3.148  -0.611  1.00  0.00           O  
HETATM   21  C   UNL     1       0.540   1.152  -1.022  1.00  0.00           C  
HETATM   22  C   UNL     1       1.791   1.655  -0.674  1.00  0.00           C  
HETATM   23  C   UNL     1       2.897   0.834  -0.744  1.00  0.00           C  
HETATM   24  S   UNL     1       4.484   1.463  -0.306  1.00  0.00           S  
HETATM   25  O   UNL     1       4.416   2.873  -0.472  1.00  0.00           O  
HETATM   26  O   UNL     1       5.437   0.647  -0.973  1.00  0.00           O  
HETATM   27  C   UNL     1       4.756  -0.180   1.825  1.00  0.00           C  
HETATM   28  C   UNL     1       3.407  -0.864   2.057  1.00  0.00           C  
HETATM   29  C   UNL     1       5.896  -0.521   2.786  1.00  0.00           C  
HETATM   30  C   UNL     1       5.919  -1.053   1.352  1.00  0.00           C  
HETATM   31  C   UNL     1       2.768  -0.483  -1.156  1.00  0.00           C  
HETATM   32  C   UNL     1       1.533  -0.994  -1.503  1.00  0.00           C  
HETATM   33  C   UNL     1       0.410  -0.185  -1.435  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.611  -2.660  -0.651  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.977  -4.074   0.712  1.00  0.00           N  
HETATM   36  H   UNL     1       4.768   1.941   1.925  1.00  0.00           H  
HETATM   37  H   UNL     1       0.424  -4.646   2.455  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.605  -6.016   1.974  1.00  0.00           H  
HETATM   39  H   UNL     1       0.902  -5.682   1.089  1.00  0.00           H  
HETATM   40  H   UNL     1       0.891  -3.637  -0.712  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.133  -2.348  -2.795  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.899  -2.133  -2.837  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.827   3.278  -1.464  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.772   1.880  -2.029  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.768   3.724   1.109  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.769   1.569   3.256  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.950  -0.009   3.166  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.310   1.267   4.229  1.00  0.00           H  
HETATM   49  H   UNL     1       1.895   2.681  -0.353  1.00  0.00           H  
HETATM   50  H   UNL     1       3.490  -1.556   2.895  1.00  0.00           H  
HETATM   51  H   UNL     1       2.651  -0.112   2.280  1.00  0.00           H  
HETATM   52  H   UNL     1       3.119  -1.413   1.160  1.00  0.00           H  
HETATM   53  H   UNL     1       6.596   0.276   3.039  1.00  0.00           H  
HETATM   54  H   UNL     1       5.686  -1.232   3.584  1.00  0.00           H  
HETATM   55  H   UNL     1       5.724  -2.116   1.206  1.00  0.00           H  
HETATM   56  H   UNL     1       6.635  -0.607   0.661  1.00  0.00           H  
HETATM   57  H   UNL     1       3.642  -1.116  -1.207  1.00  0.00           H  
HETATM   58  H   UNL     1       1.443  -2.022  -1.823  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.728  -1.684  -0.180  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.715  -2.557  -1.731  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.376  -3.339  -0.275  1.00  0.00           H  
CONECT    1   27   24   36                                            
CONECT    2   34    6   35                                            
CONECT    3    4   37   38   39                                       
CONECT    4    5   35   35    3                                       
CONECT    5    6    6    4   40                                       
CONECT    6    7    2    5    5                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   33                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   19                                            
CONECT   12   11   13   43   44                                       
CONECT   13   14   14   12   18                                       
CONECT   14   15   13   13   45                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   18   17                                       
CONECT   17   16   46   47   48                                       
CONECT   18   13   16                                                 
CONECT   19   11   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   33   33   19   22                                       
CONECT   22   21   23   23   49                                       
CONECT   23   31   22   22   24                                       
CONECT   24   23    1   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   28   30    1   29                                       
CONECT   28   27   50   51   52                                       
CONECT   29   27   30   53   54                                       
CONECT   30   27   29   55   56                                       
CONECT   31   32   32   23   57                                       
CONECT   32   33   31   31   58                                       
CONECT   33    8   32   21   21                                       
CONECT   34    2   59   60   61                                       
CONECT   35    2    4    4                                            
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   22                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
