COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.980   1.009   0.201  1.00  0.00           C  
HETATM    2  C   UNL     1       8.270   1.748   0.465  1.00  0.00           C  
HETATM    3  C   UNL     1       9.712   1.264   0.637  1.00  0.00           C  
HETATM    4  C   UNL     1       9.184  -0.656  -0.867  1.00  0.00           C  
HETATM    5  C   UNL     1       7.758  -0.116  -0.996  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.693   2.297   0.025  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.630   0.916   0.054  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.460   0.297   0.087  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.386  -1.028   0.115  1.00  0.00           C  
HETATM   10  S   UNL     1       0.199  -1.795   0.157  1.00  0.00           S  
HETATM   11  C   UNL     1       1.259  -0.327   0.146  1.00  0.00           C  
HETATM   12  C   UNL     1       2.704  -0.751   0.180  1.00  0.00           C  
HETATM   13  N   UNL     1       3.679   0.180   0.178  1.00  0.00           N  
HETATM   14  C   UNL     1       5.085  -0.232   0.211  1.00  0.00           C  
HETATM   15  N   UNL     1       7.390   0.596   0.234  1.00  0.00           N  
HETATM   16  C   UNL     1      10.146   0.510  -0.622  1.00  0.00           C  
HETATM   17  O   UNL     1       2.991  -1.929   0.209  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.465  -1.789   0.112  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.691  -1.245   0.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.819   0.140   0.054  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.213   0.578   0.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.091  -0.423   0.023  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.598  -0.258   0.010  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.011   0.733  -1.076  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.042   2.139  -0.484  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.958   2.271   0.584  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.589   2.052  -0.020  1.00  0.00           C  
HETATM   28  S   UNL     1      -5.282  -1.983   0.075  1.00  0.00           S  
HETATM   29  H   UNL     1       5.792   1.586  -0.704  1.00  0.00           H  
HETATM   30  H   UNL     1       5.761   1.622   1.076  1.00  0.00           H  
HETATM   31  H   UNL     1       7.953   2.273   1.365  1.00  0.00           H  
HETATM   32  H   UNL     1       8.214   2.424  -0.389  1.00  0.00           H  
HETATM   33  H   UNL     1      10.367   2.121   0.793  1.00  0.00           H  
HETATM   34  H   UNL     1       9.771   0.599   1.499  1.00  0.00           H  
HETATM   35  H   UNL     1       9.235  -1.352  -0.029  1.00  0.00           H  
HETATM   36  H   UNL     1       9.463  -1.172  -1.785  1.00  0.00           H  
HETATM   37  H   UNL     1       7.704   0.568  -1.842  1.00  0.00           H  
HETATM   38  H   UNL     1       7.069  -0.946  -1.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.478   2.740  -0.334  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.952   2.824   0.365  1.00  0.00           H  
HETATM   41  H   UNL     1       1.070   0.250  -0.759  1.00  0.00           H  
HETATM   42  H   UNL     1       1.039   0.286   1.021  1.00  0.00           H  
HETATM   43  H   UNL     1       3.450   1.122   0.155  1.00  0.00           H  
HETATM   44  H   UNL     1       5.305  -0.845  -0.663  1.00  0.00           H  
HETATM   45  H   UNL     1       5.274  -0.809   1.116  1.00  0.00           H  
HETATM   46  H   UNL     1      10.124   1.185  -1.477  1.00  0.00           H  
HETATM   47  H   UNL     1      11.157   0.125  -0.486  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.065  -1.224  -0.185  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.929   0.113   0.980  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.291   0.697  -1.894  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.001   0.472  -1.449  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.864   2.869  -1.274  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.018   2.322  -0.035  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.000   3.268   1.022  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.122   1.526   1.362  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.846   2.629   0.530  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.611   2.391  -1.056  1.00  0.00           H  
CONECT    1   15   14   29   30                                       
CONECT    2    3   15   31   32                                       
CONECT    3   16    2   33   34                                       
CONECT    4   16    5   35   36                                       
CONECT    5    4   15   37   38                                       
CONECT    6    7   39   40                                            
CONECT    7   20    8    8    6                                       
CONECT    8    7    7    9                                            
CONECT    9   18   18    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   41   42                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   43                                            
CONECT   14   13    1   44   45                                       
CONECT   15    2    5    1                                            
CONECT   16    3    4   46   47                                       
CONECT   17   12   12                                                 
CONECT   18   19    9    9                                            
CONECT   19   28   20   20   18                                       
CONECT   20   21   19   19    7                                       
CONECT   21   22   22   27   20                                       
CONECT   22   23   28   21   21                                       
CONECT   23   24   22   48   49                                       
CONECT   24   25   23   50   51                                       
CONECT   25   24   26   52   53                                       
CONECT   26   25   27   54   55                                       
CONECT   27   26   21   56   57                                       
CONECT   28   22   19                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
