COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.260   0.697  -0.426  1.00  0.00           C  
HETATM    2  C   UNL     1       6.250  -1.012  -0.021  1.00  0.00           C  
HETATM    3  C   UNL     1       7.156  -0.074   0.346  1.00  0.00           C  
HETATM    4  O   UNL     1       2.373   3.811   0.229  1.00  0.00           O  
HETATM    5  C   UNL     1       2.170   1.322   0.195  1.00  0.00           C  
HETATM    6  C   UNL     1       0.108   1.768   1.479  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.300   1.589   0.903  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.700   0.114   0.992  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.062   0.214   1.513  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.445   0.031   0.943  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.098   1.098   0.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.365   0.928  -0.171  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.977  -0.309  -0.113  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.358  -0.495  -0.688  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.729  -0.730   0.163  1.00  0.00           C  
HETATM   16  C   UNL     1       0.686  -0.577   0.731  1.00  0.00           C  
HETATM   17  C   UNL     1       2.715   2.670  -0.020  1.00  0.00           C  
HETATM   18  C   UNL     1       3.872   2.011  -0.671  1.00  0.00           C  
HETATM   19  O   UNL     1       4.901   2.397  -1.193  1.00  0.00           O  
HETATM   20  N   UNL     1       3.612  -0.603  -0.689  1.00  0.00           N  
HETATM   21  S   UNL     1       5.093  -0.942  -1.348  1.00  0.00           S  
HETATM   22  O   UNL     1       5.451   0.187  -2.133  1.00  0.00           O  
HETATM   23  O   UNL     1       5.006  -2.259  -1.875  1.00  0.00           O  
HETATM   24  C   UNL     1       6.453  -2.063   0.902  1.00  0.00           C  
HETATM   25  C   UNL     1       5.708  -3.372   0.958  1.00  0.00           C  
HETATM   26  N   UNL     1       7.411  -1.676   1.695  1.00  0.00           N  
HETATM   27  O   UNL     1       7.814  -0.575   1.401  1.00  0.00           O  
HETATM   28  C   UNL     1       7.380   1.267  -0.304  1.00  0.00           C  
HETATM   29  N   UNL     1       1.023   0.852   0.784  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.063  -0.056   0.471  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.058  -1.207   1.001  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.324  -1.377   0.472  1.00  0.00           C  
HETATM   33  F   UNL     1     -10.069   0.706  -0.590  1.00  0.00           F  
HETATM   34  F   UNL     1      -9.257  -0.868  -2.033  1.00  0.00           F  
HETATM   35  F   UNL     1     -10.030  -1.494   0.024  1.00  0.00           F  
HETATM   36  H   UNL     1       0.437   2.796   1.328  1.00  0.00           H  
HETATM   37  H   UNL     1       0.101   1.539   2.544  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.006   2.192   1.474  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.310   1.907  -0.140  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.666  -0.209   2.032  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.949   1.239   1.868  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.917  -0.476   2.343  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.620   2.066   0.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.876   1.763  -0.629  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.028  -1.777   0.208  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.744  -0.391  -0.872  1.00  0.00           H  
HETATM   47  H   UNL     1       0.725  -0.999   1.735  1.00  0.00           H  
HETATM   48  H   UNL     1       1.396  -1.097   0.087  1.00  0.00           H  
HETATM   49  H   UNL     1       2.994  -1.323  -0.490  1.00  0.00           H  
HETATM   50  H   UNL     1       6.221  -4.109   0.341  1.00  0.00           H  
HETATM   51  H   UNL     1       5.670  -3.725   1.989  1.00  0.00           H  
HETATM   52  H   UNL     1       4.694  -3.229   0.586  1.00  0.00           H  
HETATM   53  H   UNL     1       6.809   2.028   0.227  1.00  0.00           H  
HETATM   54  H   UNL     1       8.441   1.516  -0.266  1.00  0.00           H  
HETATM   55  H   UNL     1       7.054   1.226  -1.343  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.188  -0.977   0.080  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.545  -2.043   1.455  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.802  -2.345   0.517  1.00  0.00           H  
CONECT    1    5    5   20   18                                       
CONECT    2    3    3   21   24                                       
CONECT    3   28    2    2   27                                       
CONECT    4   17   17                                                 
CONECT    5   29    1    1   17                                       
CONECT    6    7   29   36   37                                       
CONECT    7    8    6   38   39                                       
CONECT    8   30   15    7   40                                       
CONECT    9   10   30   41   42                                       
CONECT   10   11   11   31    9                                       
CONECT   11   12   10   10   43                                       
CONECT   12   13   13   11   44                                       
CONECT   13   14   12   12   32                                       
CONECT   14   35   33   34   13                                       
CONECT   15    8   16   45   46                                       
CONECT   16   15   29   47   48                                       
CONECT   17    5    4    4   18                                       
CONECT   18    1   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    1   21   49                                            
CONECT   21   20   22   22    2                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24    2   26   26   25                                       
CONECT   25   24   50   51   52                                       
CONECT   26   27   24   24                                            
CONECT   27    3   26                                                 
CONECT   28    3   53   54   55                                       
CONECT   29   16    6    5                                            
CONECT   30    9    8   56                                            
CONECT   31   32   32   10   57                                       
CONECT   32   13   31   31   58                                       
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
