COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1      -2.798   0.514  -5.386  1.00  0.00           I  
HETATM    2  C   UNL     1      -1.386  -0.054  -3.947  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.183   0.623  -3.855  1.00  0.00           C  
HETATM    4  C   UNL     1       0.750   0.251  -2.908  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.658  -1.107  -3.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.724  -1.488  -2.145  1.00  0.00           C  
HETATM    7  F   UNL     1      -0.990  -2.516  -1.310  1.00  0.00           F  
HETATM    8  C   UNL     1       0.482  -0.805  -2.047  1.00  0.00           C  
HETATM    9  N   UNL     1       1.426  -1.183  -1.087  1.00  0.00           N  
HETATM   10  C   UNL     1       2.639  -0.500  -0.994  1.00  0.00           C  
HETATM   11  C   UNL     1       3.502  -0.458  -2.081  1.00  0.00           C  
HETATM   12  F   UNL     1       3.170  -1.085  -3.231  1.00  0.00           F  
HETATM   13  C   UNL     1       4.708   0.215  -1.984  1.00  0.00           C  
HETATM   14  F   UNL     1       5.547   0.250  -3.042  1.00  0.00           F  
HETATM   15  C   UNL     1       5.055   0.861  -0.806  1.00  0.00           C  
HETATM   16  C   UNL     1       4.206   0.833   0.279  1.00  0.00           C  
HETATM   17  C   UNL     1       2.990   0.152   0.196  1.00  0.00           C  
HETATM   18  C   UNL     1       2.078   0.118   1.356  1.00  0.00           C  
HETATM   19  O   UNL     1       2.290   0.700   2.557  1.00  0.00           O  
HETATM   20  C   UNL     1       1.209   0.418   3.310  1.00  0.00           C  
HETATM   21  N   UNL     1       0.396  -0.302   2.576  1.00  0.00           N  
HETATM   22  N   UNL     1       0.911  -0.475   1.410  1.00  0.00           N  
HETATM   23  N   UNL     1       0.997   0.815   4.617  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.235   0.428   5.308  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.220   0.992   6.731  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.455   0.604   7.424  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.411  -0.855   7.579  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.584  -1.313   8.447  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.465  -0.752   9.754  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.551   0.665   9.613  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.377   1.174   8.776  1.00  0.00           C  
HETATM   32  H   UNL     1       0.025   1.444  -4.524  1.00  0.00           H  
HETATM   33  H   UNL     1       1.688   0.781  -2.837  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.597  -1.633  -3.166  1.00  0.00           H  
HETATM   35  H   UNL     1       1.238  -1.921  -0.486  1.00  0.00           H  
HETATM   36  H   UNL     1       5.996   1.388  -0.740  1.00  0.00           H  
HETATM   37  H   UNL     1       4.482   1.337   1.193  1.00  0.00           H  
HETATM   38  H   UNL     1       1.663   1.350   5.076  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.302  -0.658   5.349  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.094   0.825   4.769  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.152   2.079   6.690  1.00  0.00           H  
HETATM   42  H   UNL     1       0.639   0.594   7.270  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.479  -1.327   6.599  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.474  -1.142   8.056  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.581  -2.401   8.518  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.520  -0.983   7.995  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.521   1.130  10.599  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.488   0.924   9.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.440   0.872   9.244  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.419   2.261   8.714  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    8    8   33                                       
CONECT    5    2    6    6   34                                       
CONECT    6    5    5    7    8                                       
CONECT    7    6                                                      
CONECT    8    4    4    6    9                                       
CONECT    9    8   10   35                                            
CONECT   10    9   11   11   17                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11                                                      
CONECT   13   11   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13   16   36                                       
CONECT   16   15   17   17   37                                       
CONECT   17   10   16   16   18                                       
CONECT   18   17   19   22   22                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22                                            
CONECT   22   18   18   21                                            
CONECT   23   20   24   38                                            
CONECT   24   23   25   39   40                                       
CONECT   25   24   26   41   42                                       
CONECT   26   25   27   31                                            
CONECT   27   26   28   43   44                                       
CONECT   28   27   29   45   46                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   47   48                                       
CONECT   31   26   30   49   50                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
