COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.973  48.317  -1.231  1.00  0.00           C  
HETATM    2  C   UNL     1       0.529  45.844   0.971  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.479  46.864   1.421  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.069  49.395  -3.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.203  47.143  -3.463  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.778  45.753  -3.141  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.149  46.482  -4.281  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.749  50.208  -4.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.983  47.441  -0.597  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.772  46.191  -0.061  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.803  46.036   0.941  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.874  45.295   2.055  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.011  44.623   2.277  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.058  44.645   1.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.945  45.431   0.176  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.250  43.938   1.304  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.809  44.290   0.171  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.091  45.191  -0.552  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.232  47.085  -1.023  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.712  46.805   0.610  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.471  45.755  -1.844  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.201  44.019   3.514  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.807  48.273  -2.574  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.374  49.124  -0.523  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.482  50.795  -2.902  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.321  44.053   4.557  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.632  43.497   5.697  1.00  0.00           N  
HETATM   28  S   UNL     1      -1.831  44.936   4.557  1.00  0.00           S  
HETATM   29  C   UNL     1      -2.674  43.777   6.650  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.625  44.542   6.234  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.846  43.179   8.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.474  45.124   7.009  1.00  0.00           C  
HETATM   33  H   UNL     1       1.431  45.918   1.597  1.00  0.00           H  
HETATM   34  H   UNL     1       0.098  44.836   1.067  1.00  0.00           H  
HETATM   35  H   UNL     1       0.795  46.031  -0.080  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.038  47.867   1.327  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.735  46.673   2.474  1.00  0.00           H  
HETATM   38  H   UNL     1       1.010  49.237  -3.347  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.187  47.240  -3.944  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.459  44.911  -3.335  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.197  45.553  -2.228  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.366  46.177  -5.315  1.00  0.00           H  
HETATM   43  H   UNL     1       0.896  46.819  -4.209  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.184  50.561  -5.126  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.779  49.967  -4.551  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.759  43.898  -0.160  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.719  47.422  -1.926  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.693  46.455  -2.182  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.580  44.945  -2.580  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.427  46.290  -1.743  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.055  43.517   3.652  1.00  0.00           H  
HETATM   52  H   UNL     1       0.279  51.580  -2.785  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.316  50.986  -2.210  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.765  42.575   8.030  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.982  42.539   8.239  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.918  43.982   8.756  1.00  0.00           H  
HETATM   57  H   UNL     1       0.124  45.770   6.349  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.861  45.717   7.850  1.00  0.00           H  
HETATM   59  H   UNL     1       0.157  44.310   7.394  1.00  0.00           H  
CONECT    1   23    9   24   24                                       
CONECT    2    3   33   34   35                                       
CONECT    3   20    2   36   37                                       
CONECT    4    8   25   23   38                                       
CONECT    5    7    6   23   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    5    6   42   43                                       
CONECT    8    4   25   44   45                                       
CONECT    9    1   19   19   20                                       
CONECT   10   19   15   15   11                                       
CONECT   11   10   20   12   12                                       
CONECT   12   11   11   13                                            
CONECT   13   14   14   12   22                                       
CONECT   14   15   16   13   13                                       
CONECT   15   18   10   10   14                                       
CONECT   16   17   17   14                                            
CONECT   17   18   16   16   46                                       
CONECT   18   21   17   15                                            
CONECT   19    9    9   10   47                                       
CONECT   20    9   11    3                                            
CONECT   21   18   48   49   50                                       
CONECT   22   13   26   51                                            
CONECT   23    5    4    1                                            
CONECT   24    1    1                                                 
CONECT   25    8    4   52   53                                       
CONECT   26   22   28   27   27                                       
CONECT   27   26   26   29                                            
CONECT   28   26   30                                                 
CONECT   29   27   30   30   31                                       
CONECT   30   28   29   29   32                                       
CONECT   31   29   54   55   56                                       
CONECT   32   30   57   58   59                                       
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
