COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.501  -0.825  -0.935  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.186  -0.922  -0.790  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.359  -1.659  -1.812  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.322  -3.148  -1.461  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.582  -0.338   0.310  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.236  -0.417   0.490  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.452   0.679   0.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.980   0.442   0.361  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.141   1.616  -0.148  1.00  0.00           C  
HETATM   10  O   UNL     1       1.233   1.395   0.175  1.00  0.00           O  
HETATM   11  C   UNL     1       2.119   2.351  -0.209  1.00  0.00           C  
HETATM   12  C   UNL     1       1.675   3.479  -0.884  1.00  0.00           C  
HETATM   13  C   UNL     1       2.577   4.449  -1.273  1.00  0.00           C  
HETATM   14  C   UNL     1       3.468   2.203   0.077  1.00  0.00           C  
HETATM   15  C   UNL     1       4.367   3.177  -0.315  1.00  0.00           C  
HETATM   16  C   UNL     1       3.922   4.297  -0.991  1.00  0.00           C  
HETATM   17  C   UNL     1       3.953   0.982   0.815  1.00  0.00           C  
HETATM   18  C   UNL     1       4.191  -0.155  -0.181  1.00  0.00           C  
HETATM   19  S   UNL     1       4.775  -1.625   0.707  1.00  0.00           S  
HETATM   20  O   UNL     1       6.080  -1.408   1.226  1.00  0.00           O  
HETATM   21  O   UNL     1       3.741  -2.158   1.524  1.00  0.00           O  
HETATM   22  N   UNL     1       4.989  -2.764  -0.475  1.00  0.00           N  
HETATM   23  C   UNL     1       6.284  -2.884  -1.151  1.00  0.00           C  
HETATM   24  C   UNL     1       3.885  -3.652  -0.845  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.390   0.337   1.233  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.701   0.393   1.022  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.238  -0.180  -0.045  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.609  -0.102  -0.234  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.831   0.938   2.351  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.802  -1.530  -2.800  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.345  -1.260  -1.814  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.921  -3.273  -0.455  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.331  -3.556  -1.503  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.687  -3.673  -2.173  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.562   0.762  -1.067  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.792   1.601   0.486  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.870   0.359   1.442  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.640  -0.480  -0.112  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.251   1.699  -1.230  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.482   2.537   0.324  1.00  0.00           H  
HETATM   41  H   UNL     1       0.624   3.598  -1.105  1.00  0.00           H  
HETATM   42  H   UNL     1       2.232   5.327  -1.799  1.00  0.00           H  
HETATM   43  H   UNL     1       5.417   3.062  -0.092  1.00  0.00           H  
HETATM   44  H   UNL     1       4.626   5.057  -1.297  1.00  0.00           H  
HETATM   45  H   UNL     1       4.885   1.215   1.330  1.00  0.00           H  
HETATM   46  H   UNL     1       3.203   0.676   1.544  1.00  0.00           H  
HETATM   47  H   UNL     1       3.259  -0.388  -0.696  1.00  0.00           H  
HETATM   48  H   UNL     1       4.941   0.151  -0.910  1.00  0.00           H  
HETATM   49  H   UNL     1       6.912  -3.591  -0.609  1.00  0.00           H  
HETATM   50  H   UNL     1       6.130  -3.240  -2.169  1.00  0.00           H  
HETATM   51  H   UNL     1       6.772  -1.910  -1.176  1.00  0.00           H  
HETATM   52  H   UNL     1       3.010  -3.416  -0.240  1.00  0.00           H  
HETATM   53  H   UNL     1       3.645  -3.514  -1.900  1.00  0.00           H  
HETATM   54  H   UNL     1       4.177  -4.688  -0.672  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.016  -0.517  -1.010  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.162   0.367   0.411  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.873   0.892   2.499  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.398   1.403   2.986  1.00  0.00           H  
CONECT    1    2    2   27                                            
CONECT    2    1    1    3    5                                       
CONECT    3    4    2   30   31                                       
CONECT    4    3   32   33   34                                       
CONECT    5    2    6   25   25                                       
CONECT    6    7    5                                                 
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   14   14                                       
CONECT   12   13   13   11   41                                       
CONECT   13   12   12   16   42                                       
CONECT   14   11   11   15   17                                       
CONECT   15   16   16   14   43                                       
CONECT   16   15   15   13   44                                       
CONECT   17   14   18   45   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   24                                            
CONECT   23   22   49   50   51                                       
CONECT   24   22   52   53   54                                       
CONECT   25    5    5   26   29                                       
CONECT   26   27   27   25                                            
CONECT   27   26   26   28    1                                       
CONECT   28   27   55   56                                            
CONECT   29   25   57   58                                            
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
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
