COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.444  -1.789   5.221  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.059  -1.656   4.750  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.032  -0.818   3.498  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.303   0.281   3.455  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.136   1.170   1.942  1.00  0.00           S  
HETATM    6  C   UNL     1      -2.148   0.130   0.853  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.153   0.722  -0.557  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.815   0.741  -1.083  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.004  -0.158  -1.492  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.092   0.587  -2.040  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.017  -0.582  -2.611  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.651  -0.541  -3.891  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.918   0.505  -2.504  1.00  0.00           C  
HETATM   14  N   UNL     1       0.353   0.012  -3.038  1.00  0.00           N  
HETATM   15  C   UNL     1       1.290  -0.706  -2.357  1.00  0.00           C  
HETATM   16  N   UNL     1       2.296  -0.977  -3.137  1.00  0.00           N  
HETATM   17  C   UNL     1       2.069  -0.451  -4.365  1.00  0.00           C  
HETATM   18  C   UNL     1       2.782  -0.425  -5.575  1.00  0.00           C  
HETATM   19  N   UNL     1       4.016  -1.041  -5.684  1.00  0.00           N  
HETATM   20  N   UNL     1       2.242   0.202  -6.614  1.00  0.00           N  
HETATM   21  C   UNL     1       1.064   0.792  -6.521  1.00  0.00           C  
HETATM   22  N   UNL     1       0.361   0.793  -5.407  1.00  0.00           N  
HETATM   23  C   UNL     1       0.818   0.185  -4.317  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.613   0.777   4.699  1.00  0.00           C  
HETATM   25  C   UNL     1       0.772   0.137   4.804  1.00  0.00           C  
HETATM   26  C   UNL     1       1.472   0.640   6.068  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858   0.000   6.173  1.00  0.00           C  
HETATM   28  C   UNL     1       3.558   0.503   7.436  1.00  0.00           C  
HETATM   29  N   UNL     1       4.888  -0.111   7.537  1.00  0.00           N  
HETATM   30  H   UNL     1      -3.414  -2.354   6.056  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.743  -0.868   5.504  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.652  -2.644   4.535  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.457  -1.175   5.522  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.609  -1.118   2.635  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.732  -0.876   0.823  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.169   0.090   1.234  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.556   1.734  -0.533  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.374  -1.034  -0.958  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.548   0.002  -2.660  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.605  -1.572  -2.415  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.321  -1.239  -3.893  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.225   1.413  -3.022  1.00  0.00           H  
HETATM   43  H   UNL     1       1.209  -1.006  -1.323  1.00  0.00           H  
HETATM   44  H   UNL     1       4.499  -1.016  -6.525  1.00  0.00           H  
HETATM   45  H   UNL     1       4.400  -1.497  -4.918  1.00  0.00           H  
HETATM   46  H   UNL     1       0.662   1.292  -7.389  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.204   0.509   5.574  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.509   1.861   4.650  1.00  0.00           H  
HETATM   49  H   UNL     1       1.364   0.406   3.929  1.00  0.00           H  
HETATM   50  H   UNL     1       0.668  -0.946   4.854  1.00  0.00           H  
HETATM   51  H   UNL     1       0.880   0.371   6.943  1.00  0.00           H  
HETATM   52  H   UNL     1       1.576   1.724   6.018  1.00  0.00           H  
HETATM   53  H   UNL     1       3.449   0.268   5.298  1.00  0.00           H  
HETATM   54  H   UNL     1       2.754  -1.083   6.222  1.00  0.00           H  
HETATM   55  H   UNL     1       2.966   0.234   8.311  1.00  0.00           H  
HETATM   56  H   UNL     1       3.662   1.587   7.387  1.00  0.00           H  
HETATM   57  H   UNL     1       5.311   0.247   8.380  1.00  0.00           H  
HETATM   58  H   UNL     1       4.741  -1.098   7.684  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3   32   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   35   36                                       
CONECT    7    6    8    9   37                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   38                                       
CONECT   10    9   39                                                 
CONECT   11    9   12   13   40                                       
CONECT   12   11   41                                                 
CONECT   13    8   11   14   42                                       
CONECT   14   13   15   23                                            
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   20                                       
CONECT   19   18   44   45                                            
CONECT   20   18   21   21                                            
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23                                            
CONECT   23   14   17   22   22                                       
CONECT   24    4   25   47   48                                       
CONECT   25   24   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   29   55   56                                       
CONECT   29   28   57   58                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
