COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.804  -0.180   0.444  1.00  0.00           O  
HETATM    2  C   UNL     1       4.841   1.171  -0.280  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.711   1.607  -0.126  1.00  0.00           N  
HETATM    4  C   UNL     1       3.232  -2.315  -0.007  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.257   0.424  -1.216  1.00  0.00           N  
HETATM    6  C   UNL     1       3.382  -0.849  -0.420  1.00  0.00           C  
HETATM    7  C   UNL     1       2.350   1.304  -0.198  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.307  -0.975   0.606  1.00  0.00           N1+
HETATM    9  C   UNL     1      -0.384   1.355  -0.300  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.474   0.054  -1.647  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.395   0.773  -0.982  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.890   0.686  -1.145  1.00  0.00           C  
HETATM   13  C   UNL     1       1.890  -2.852  -0.510  1.00  0.00           C  
HETATM   14  N   UNL     1       4.325  -3.103  -0.591  1.00  0.00           N  
HETATM   15  C   UNL     1       1.740  -4.317  -0.097  1.00  0.00           C  
HETATM   16  C   UNL     1       4.724  -0.312   0.085  1.00  0.00           C  
HETATM   17  O   UNL     1       2.319  -0.082   0.148  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.537   0.423   0.216  1.00  0.00           C  
HETATM   19  C   UNL     1       3.650   1.928   0.317  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.019   0.682   0.126  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.009  -1.865  -0.328  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.867  -1.263   0.569  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.816  -1.194   1.967  1.00  0.00           C  
HETATM   24  O   UNL     1       0.827  -2.085   0.058  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.468   1.871  -0.307  1.00  0.00           O  
HETATM   26  O   UNL     1       3.709   3.300  -0.078  1.00  0.00           O  
HETATM   27  O   UNL     1       6.057   1.700   0.252  1.00  0.00           O  
HETATM   28  O   UNL     1       4.794  -0.461   1.505  1.00  0.00           O  
HETATM   29  S   UNL     1       0.936   2.146   0.557  1.00  0.00           S  
HETATM   30  H   UNL     1       4.838   1.283  -1.364  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.100   2.248   0.488  1.00  0.00           H  
HETATM   32  H   UNL     1       3.269  -2.392   1.080  1.00  0.00           H  
HETATM   33  H   UNL     1       3.345  -0.772  -1.507  1.00  0.00           H  
HETATM   34  H   UNL     1       2.299   1.409  -1.281  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.679  -0.695  -2.398  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.266   1.625  -1.551  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.135  -0.128  -1.827  1.00  0.00           H  
HETATM   38  H   UNL     1       1.853  -2.775  -1.597  1.00  0.00           H  
HETATM   39  H   UNL     1       4.312  -3.048  -1.599  1.00  0.00           H  
HETATM   40  H   UNL     1       5.218  -2.810  -0.224  1.00  0.00           H  
HETATM   41  H   UNL     1       1.777  -4.394   0.989  1.00  0.00           H  
HETATM   42  H   UNL     1       0.784  -4.699  -0.456  1.00  0.00           H  
HETATM   43  H   UNL     1       2.551  -4.902  -0.531  1.00  0.00           H  
HETATM   44  H   UNL     1       5.538  -0.867  -0.381  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.097   1.085   0.962  1.00  0.00           H  
HETATM   46  H   UNL     1       3.682   1.859   1.404  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.704  -2.895  -0.147  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.085  -1.773  -0.179  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.760  -1.587  -1.352  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.535  -1.320  -0.468  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.325  -0.468   1.081  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.674  -2.214   1.065  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.584  -0.326   2.585  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.896  -1.337   1.932  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.344  -2.079   2.392  1.00  0.00           H  
HETATM   56  H   UNL     1       0.799  -2.107   1.024  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.426   1.990  -0.347  1.00  0.00           H  
HETATM   58  H   UNL     1       2.984   3.840   0.264  1.00  0.00           H  
HETATM   59  H   UNL     1       6.193   2.639   0.064  1.00  0.00           H  
HETATM   60  H   UNL     1       5.620  -0.141   1.893  1.00  0.00           H  
CONECT    1   20   20                                                 
CONECT    2   16   19   27   30                                       
CONECT    3    9   11   31                                            
CONECT    4   13    6   14   32                                       
CONECT    5   10    9    9                                            
CONECT    6    4   17   16   33                                       
CONECT    7   17   29   19   34                                       
CONECT    8   23   18   22   21                                       
CONECT    9    5    5   29    3                                       
CONECT   10    5   11   11   35                                       
CONECT   11   10   10    3   12                                       
CONECT   12   11   18   36   37                                       
CONECT   13   15   24    4   38                                       
CONECT   14    4   39   40                                            
CONECT   15   13   41   42   43                                       
CONECT   16    6    2   28   44                                       
CONECT   17    6    7                                                 
CONECT   18   20   12    8   45                                       
CONECT   19    7    2   26   46                                       
CONECT   20    1    1   25   18                                       
CONECT   21    8   47   48   49                                       
CONECT   22    8   50   51   52                                       
CONECT   23    8   53   54   55                                       
CONECT   24   13   56                                                 
CONECT   25   20   57                                                 
CONECT   26   19   58                                                 
CONECT   27    2   59                                                 
CONECT   28   16   60                                                 
CONECT   29    7    9                                                 
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
