COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.489   0.731  -1.827  1.00  0.00           O  
HETATM    2  C   UNL     1       1.312   1.131  -1.024  1.00  0.00           C  
HETATM    3  C   UNL     1       1.064   2.372  -0.271  1.00  0.00           C  
HETATM    4  C   UNL     1       2.062   2.909   0.547  1.00  0.00           C  
HETATM    5  C   UNL     1       1.827   4.070   1.248  1.00  0.00           C  
HETATM    6  C   UNL     1       0.600   4.713   1.149  1.00  0.00           C  
HETATM    7  F   UNL     1       0.380   5.852   1.842  1.00  0.00           F  
HETATM    8  C   UNL     1      -0.399   4.194   0.343  1.00  0.00           C  
HETATM    9  F   UNL     1      -1.589   4.825   0.252  1.00  0.00           F  
HETATM   10  C   UNL     1      -0.175   3.025  -0.376  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.173   2.504  -1.190  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.878   1.363  -0.790  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.610   0.776   0.439  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.308  -0.350   0.832  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.272  -0.893   0.003  1.00  0.00           C  
HETATM   16  I   UNL     1      -4.327  -2.601   0.604  1.00  0.00           I  
HETATM   17  C   UNL     1      -2.852   0.819  -1.620  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.119   1.390  -2.815  1.00  0.00           F  
HETATM   19  C   UNL     1      -3.543  -0.312  -1.223  1.00  0.00           C  
HETATM   20  N   UNL     1       2.447   0.434  -0.820  1.00  0.00           N  
HETATM   21  C   UNL     1       3.088  -0.746  -1.420  1.00  0.00           C  
HETATM   22  C   UNL     1       3.771  -0.995  -0.068  1.00  0.00           C  
HETATM   23  C   UNL     1       3.594   0.523   0.096  1.00  0.00           C  
HETATM   24  O   UNL     1       2.999  -1.781   0.842  1.00  0.00           O  
HETATM   25  C   UNL     1       5.229  -1.446  -0.175  1.00  0.00           C  
HETATM   26  C   UNL     1       5.301  -2.756  -0.963  1.00  0.00           C  
HETATM   27  C   UNL     1       6.760  -3.214  -1.050  1.00  0.00           C  
HETATM   28  C   UNL     1       7.322  -3.374   0.365  1.00  0.00           C  
HETATM   29  C   UNL     1       7.191  -2.046   1.114  1.00  0.00           C  
HETATM   30  N   UNL     1       5.778  -1.652   1.171  1.00  0.00           N  
HETATM   31  H   UNL     1       3.019   2.414   0.628  1.00  0.00           H  
HETATM   32  H   UNL     1       2.600   4.483   1.880  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.382   2.931  -2.036  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.857   1.199   1.088  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.099  -0.807   1.788  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.296  -0.738  -1.868  1.00  0.00           H  
HETATM   37  H   UNL     1       2.382  -1.528  -1.701  1.00  0.00           H  
HETATM   38  H   UNL     1       3.786  -0.501  -2.220  1.00  0.00           H  
HETATM   39  H   UNL     1       4.426   1.103  -0.304  1.00  0.00           H  
HETATM   40  H   UNL     1       3.319   0.823   1.108  1.00  0.00           H  
HETATM   41  H   UNL     1       2.091  -1.471   0.957  1.00  0.00           H  
HETATM   42  H   UNL     1       5.809  -0.680  -0.690  1.00  0.00           H  
HETATM   43  H   UNL     1       4.710  -3.519  -0.456  1.00  0.00           H  
HETATM   44  H   UNL     1       4.908  -2.599  -1.967  1.00  0.00           H  
HETATM   45  H   UNL     1       5.655  -0.829   1.742  1.00  0.00           H  
HETATM   46  H   UNL     1       6.811  -4.169  -1.573  1.00  0.00           H  
HETATM   47  H   UNL     1       7.343  -2.469  -1.592  1.00  0.00           H  
HETATM   48  H   UNL     1       6.763  -4.147   0.893  1.00  0.00           H  
HETATM   49  H   UNL     1       8.373  -3.659   0.309  1.00  0.00           H  
HETATM   50  H   UNL     1       7.577  -2.161   2.127  1.00  0.00           H  
HETATM   51  H   UNL     1       7.762  -1.278   0.593  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   20                                       
CONECT    3    2    4   10   10                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   10                                       
CONECT    9    8                                                      
CONECT   10    3    3    8   11                                       
CONECT   11   10   12   33                                            
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15                                                      
CONECT   17   12   12   18   19                                       
CONECT   18   17                                                      
CONECT   19   15   15   17   36                                       
CONECT   20    2   21   23                                            
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   24   25                                       
CONECT   23   20   22   39   40                                       
CONECT   24   22   41                                                 
CONECT   25   22   26   30   42                                       
CONECT   26   25   27   43   44                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   25   29   45                                            
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   30                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
