COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.852  -4.030   0.759  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.253  -3.196   1.244  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.498  -2.144   1.856  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.171  -1.924   1.482  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.088  -1.330   2.825  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.355  -0.318   3.411  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.038  -0.109   3.039  1.00  0.00           C  
HETATM    8  C   UNL     1       0.550  -0.909   2.075  1.00  0.00           C  
HETATM    9  C   UNL     1       1.983  -0.670   1.673  1.00  0.00           C  
HETATM   10  C   UNL     1       2.028   0.324   0.511  1.00  0.00           C  
HETATM   11  C   UNL     1       3.448   0.469   0.028  1.00  0.00           C  
HETATM   12  O   UNL     1       3.991   1.553   0.058  1.00  0.00           O  
HETATM   13  N   UNL     1       4.115  -0.607  -0.436  1.00  0.00           N  
HETATM   14  C   UNL     1       3.577  -1.975  -0.534  1.00  0.00           C  
HETATM   15  C   UNL     1       4.420  -2.655  -1.641  1.00  0.00           C  
HETATM   16  C   UNL     1       5.824  -2.048  -1.380  1.00  0.00           C  
HETATM   17  C   UNL     1       5.498  -0.607  -0.936  1.00  0.00           C  
HETATM   18  N   UNL     1       1.530   1.625   0.962  1.00  0.00           N  
HETATM   19  S   UNL     1       0.663   2.584  -0.073  1.00  0.00           S  
HETATM   20  O   UNL     1       0.300   3.744   0.663  1.00  0.00           O  
HETATM   21  O   UNL     1       1.399   2.632  -1.288  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.839   1.735  -0.435  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.901   0.866  -1.507  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.079   0.195  -1.798  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.102  -0.735  -2.984  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.310  -1.666  -2.893  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.511  -0.852  -2.648  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.494  -0.319  -1.283  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.194   0.393  -1.012  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.131   1.268   0.064  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.223   1.467   0.834  1.00  0.00           F  
HETATM   32  C   UNL     1      -1.954   1.934   0.355  1.00  0.00           C  
HETATM   33  H   UNL     1       0.290  -2.547   0.730  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.115  -1.491   3.116  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.809   0.312   4.160  1.00  0.00           H  
HETATM   36  H   UNL     1       0.531   0.684   3.500  1.00  0.00           H  
HETATM   37  H   UNL     1       2.535  -0.263   2.521  1.00  0.00           H  
HETATM   38  H   UNL     1       2.435  -1.612   1.364  1.00  0.00           H  
HETATM   39  H   UNL     1       1.403  -0.042  -0.304  1.00  0.00           H  
HETATM   40  H   UNL     1       3.701  -2.500   0.413  1.00  0.00           H  
HETATM   41  H   UNL     1       2.525  -1.950  -0.820  1.00  0.00           H  
HETATM   42  H   UNL     1       4.433  -3.737  -1.514  1.00  0.00           H  
HETATM   43  H   UNL     1       4.055  -2.385  -2.632  1.00  0.00           H  
HETATM   44  H   UNL     1       6.339  -2.593  -0.589  1.00  0.00           H  
HETATM   45  H   UNL     1       6.419  -2.045  -2.294  1.00  0.00           H  
HETATM   46  H   UNL     1       5.587   0.073  -1.782  1.00  0.00           H  
HETATM   47  H   UNL     1       6.179  -0.303  -0.140  1.00  0.00           H  
HETATM   48  H   UNL     1       1.708   1.926   1.867  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.027   0.709  -2.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.164  -0.149  -3.901  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.188  -1.328  -2.996  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.423  -2.213  -3.830  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.171  -2.369  -2.071  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.589  -0.109  -3.326  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.320   0.381  -1.158  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.606  -1.139  -0.574  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.908   2.610   1.196  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    8   33                                       
CONECT    5    3    6    6   34                                       
CONECT    6    5    5    7   35                                       
CONECT    7    8    8    6   36                                       
CONECT    8    4    9    7    7                                       
CONECT    9    8   10   37   38                                       
CONECT   10   18    9   11   39                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   17   14                                            
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   17   15   44   45                                       
CONECT   17   13   16   46   47                                       
CONECT   18   19   10   48                                            
CONECT   19   21   21   18   20                                       
CONECT   19   20   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   32   32   19                                       
CONECT   23   24   24   22   49                                       
CONECT   24   25   23   23   29                                       
CONECT   25   26   24   50   51                                       
CONECT   26   25   27   52   53                                       
CONECT   27   26   28   54                                            
CONECT   28   27   29   55   56                                       
CONECT   29   24   28   30   30                                       
CONECT   30   29   29   32   31                                       
CONECT   31   30                                                      
CONECT   32   22   22   30   57                                       
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
