COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.574  -2.703  -1.796  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.604   0.269  -3.323  1.00  0.00           C  
HETATM    3  N   UNL     1       2.105   0.722   0.710  1.00  0.00           N  
HETATM    4  C   UNL     1       1.324   1.790   0.642  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.045   1.635   0.745  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.957  -1.175   1.153  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.614  -1.263  -0.068  1.00  0.00           C  
HETATM    8  C   UNL     1       6.537  -1.085   0.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.963   2.827   0.672  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.067  -1.034   2.276  1.00  0.00           C  
HETATM   11  C   UNL     1       4.732  -2.176   1.423  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.724  -1.121   1.062  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.120  -0.404  -2.620  1.00  0.00           O  
HETATM   14  S   UNL     1      -3.357  -0.018  -2.037  1.00  0.00           S  
HETATM   15  O   UNL     1      -3.415   1.002  -1.049  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.880  -1.378  -1.251  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.685  -1.061   2.321  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.002  -1.235  -0.109  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.451  -1.211   1.204  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.924   0.144   1.023  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.558   0.348   0.916  1.00  0.00           C  
HETATM   22  F   UNL     1      -0.205   3.990   0.498  1.00  0.00           F  
HETATM   23  F   UNL     1      -1.839   2.676  -0.408  1.00  0.00           F  
HETATM   24  F   UNL     1      -1.698   2.923   1.858  1.00  0.00           F  
HETATM   25  N   UNL     1       0.283  -0.680   0.976  1.00  0.00           N  
HETATM   26  C   UNL     1       1.590  -0.488   0.874  1.00  0.00           C  
HETATM   27  N   UNL     1       2.440  -1.580   0.939  1.00  0.00           N  
HETATM   28  C   UNL     1       3.812  -1.414   0.715  1.00  0.00           C  
HETATM   29  C   UNL     1       4.259  -0.486  -0.218  1.00  0.00           C  
HETATM   30  C   UNL     1       5.609  -0.327  -0.433  1.00  0.00           C  
HETATM   31  C   UNL     1       6.404   0.572  -1.352  1.00  0.00           C  
HETATM   32  C   UNL     1       6.083  -2.015   1.204  1.00  0.00           C  
HETATM   33  N   UNL     1       7.835  -0.740  -0.117  1.00  0.00           N  
HETATM   34  C   UNL     1       7.846   0.214  -1.063  1.00  0.00           C  
HETATM   35  O   UNL     1       8.827   0.700  -1.584  1.00  0.00           O  
HETATM   36  H   UNL     1      -4.370  -3.010  -2.474  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.629  -2.663  -2.339  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.494  -3.422  -0.980  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.695  -0.621  -3.946  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.565   0.484  -2.855  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.302   1.116  -3.939  1.00  0.00           H  
HETATM   42  H   UNL     1       1.754   2.772   0.509  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.634  -0.945   3.191  1.00  0.00           H  
HETATM   44  H   UNL     1       4.387  -2.898   2.148  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.804  -1.100   1.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.175  -0.993   3.270  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.516  -1.302  -1.057  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.129  -1.600   2.169  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.076  -1.855   0.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.532   0.899   0.979  1.00  0.00           H  
HETATM   51  H   UNL     1       2.084  -2.460   1.140  1.00  0.00           H  
HETATM   52  H   UNL     1       3.549   0.110  -0.772  1.00  0.00           H  
HETATM   53  H   UNL     1       6.160   0.365  -2.394  1.00  0.00           H  
HETATM   54  H   UNL     1       6.217   1.620  -1.116  1.00  0.00           H  
HETATM   55  H   UNL     1       6.793  -2.611   1.759  1.00  0.00           H  
HETATM   56  H   UNL     1       8.635  -1.148   0.250  1.00  0.00           H  
CONECT    1   16   36   37   38                                       
CONECT    2   14   39   40   41                                       
CONECT    3    4    4   26                                            
CONECT    4    3    3    5   42                                       
CONECT    5    4    9   21   21                                       
CONECT    6    7    7   17   19                                       
CONECT    7    6    6   16   18                                       
CONECT    8   30   30   32   33                                       
CONECT    9    5   22   23   24                                       
CONECT   10   12   17   17   43                                       
CONECT   11   28   32   32   44                                       
CONECT   12   10   18   18   45                                       
CONECT   13   14   14                                                 
CONECT   14    2   13   13   15                                       
CONECT   14   15   16                                                 
CONECT   15   14   14                                                 
CONECT   16    1    7   14                                            
CONECT   17    6   10   10   46                                       
CONECT   18    7   12   12   47                                       
CONECT   19    6   20   48   49                                       
CONECT   20   19   21   50                                            
CONECT   21    5    5   20   25                                       
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   21   26   26                                            
CONECT   26    3   25   25   27                                       
CONECT   27   26   28   51                                            
CONECT   28   11   27   29   29                                       
CONECT   29   28   28   30   52                                       
CONECT   30    8    8   29   31                                       
CONECT   31   30   34   53   54                                       
CONECT   32    8   11   11   55                                       
CONECT   33    8   34   56                                            
CONECT   34   31   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
