COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.498   1.353   1.623  1.00  0.00           C  
HETATM    2  C   UNL     1       5.217   0.862   1.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.651   1.558  -0.053  1.00  0.00           C  
HETATM    4  N   UNL     1       7.635   0.961   0.780  1.00  0.00           N  
HETATM    5  C   UNL     1       5.316   2.805  -0.575  1.00  0.00           C  
HETATM    6  C   UNL     1       4.613  -0.286   1.478  1.00  0.00           C  
HETATM    7  N   UNL     1       1.677  -0.497  -0.724  1.00  0.00           N  
HETATM    8  C   UNL     1       3.439  -0.740   0.909  1.00  0.00           C  
HETATM    9  C   UNL     1       2.865  -0.041  -0.145  1.00  0.00           C  
HETATM   10  C   UNL     1       3.477   1.110  -0.626  1.00  0.00           C  
HETATM   11  C   UNL     1       0.817  -1.241   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.771  -2.243   1.265  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.371  -1.836  -0.647  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.606  -1.628  -2.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.716  -2.185  -2.609  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.755  -2.156   0.133  1.00  0.00           N  
HETATM   17  O   UNL     1       1.019  -1.423   1.185  1.00  0.00           O  
HETATM   18  F   UNL     1       4.510   3.385  -1.561  1.00  0.00           F  
HETATM   19  F   UNL     1       5.495   3.712   0.474  1.00  0.00           F  
HETATM   20  F   UNL     1       6.560   2.475  -1.124  1.00  0.00           F  
HETATM   21  C   UNL     1       8.890   1.532   1.288  1.00  0.00           C  
HETATM   22  C   UNL     1      10.035   1.167   0.340  1.00  0.00           C  
HETATM   23  N   UNL     1      10.131  -0.295   0.233  1.00  0.00           N  
HETATM   24  C   UNL     1      11.267  -0.688  -0.610  1.00  0.00           C  
HETATM   25  C   UNL     1      11.488  -2.198  -0.499  1.00  0.00           C  
HETATM   26  C   UNL     1       7.731  -0.502   0.673  1.00  0.00           C  
HETATM   27  C   UNL     1       8.876  -0.867  -0.275  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.260  -2.612   0.098  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.371  -3.166  -0.515  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.599  -2.949  -1.868  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.809  -3.553  -2.532  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.239  -3.922   0.207  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.422  -3.367   0.565  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.911  -1.610   0.480  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.502  -3.453   1.731  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.306  -4.058   1.391  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.227  -0.346   0.013  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.501   0.275   0.385  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.358   1.091   1.697  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.467   2.156   1.564  1.00  0.00           C  
HETATM   41  N   UNL     1      -8.775   2.288   0.132  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.898   1.378  -0.627  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.707   3.105  -0.398  1.00  0.00           C  
HETATM   44  O   UNL     1      -9.877   3.132  -1.599  1.00  0.00           O  
HETATM   45  C   UNL     1     -10.538   3.984   0.500  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.511   4.805  -0.348  1.00  0.00           C  
HETATM   47  H   UNL     1       6.467   2.440   1.709  1.00  0.00           H  
HETATM   48  H   UNL     1       6.612   0.914   2.614  1.00  0.00           H  
HETATM   49  H   UNL     1       5.060  -0.830   2.298  1.00  0.00           H  
HETATM   50  H   UNL     1       1.471  -0.278  -1.646  1.00  0.00           H  
HETATM   51  H   UNL     1       2.969  -1.637   1.283  1.00  0.00           H  
HETATM   52  H   UNL     1       3.035   1.654  -1.448  1.00  0.00           H  
HETATM   53  H   UNL     1       0.081  -1.032  -2.589  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.896  -2.024  -3.661  1.00  0.00           H  
HETATM   55  H   UNL     1       8.798   2.617   1.347  1.00  0.00           H  
HETATM   56  H   UNL     1       9.097   1.131   2.280  1.00  0.00           H  
HETATM   57  H   UNL     1       9.841   1.592  -0.645  1.00  0.00           H  
HETATM   58  H   UNL     1      10.971   1.566   0.730  1.00  0.00           H  
HETATM   59  H   UNL     1      11.058  -0.427  -1.647  1.00  0.00           H  
HETATM   60  H   UNL     1      12.164  -0.164  -0.278  1.00  0.00           H  
HETATM   61  H   UNL     1      11.698  -2.459   0.538  1.00  0.00           H  
HETATM   62  H   UNL     1      10.591  -2.721  -0.831  1.00  0.00           H  
HETATM   63  H   UNL     1      12.331  -2.489  -1.125  1.00  0.00           H  
HETATM   64  H   UNL     1       7.925  -0.927   1.658  1.00  0.00           H  
HETATM   65  H   UNL     1       6.794  -0.900   0.282  1.00  0.00           H  
HETATM   66  H   UNL     1       8.669  -0.465  -1.267  1.00  0.00           H  
HETATM   67  H   UNL     1       8.967  -1.951  -0.334  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.082  -2.780   1.150  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.646  -2.857  -2.465  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.587  -3.754  -3.579  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.071  -4.485  -2.030  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.209  -3.961   2.370  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.063  -5.044   1.758  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.606   0.128  -0.562  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.287  -0.474   0.475  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.535   0.458   2.567  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.376   1.561   1.754  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.356   1.836   2.107  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.114   3.110   1.957  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.012   1.909  -0.976  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.437   0.944  -1.469  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.099   3.364   1.199  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.884   4.657   1.056  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.950   5.426  -1.047  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.165   4.133  -0.904  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.112   5.441   0.302  1.00  0.00           H  
CONECT    1    2    4   47   48                                       
CONECT    2    3    1    6    6                                       
CONECT    3    5   10   10    2                                       
CONECT    4    1   26   21                                            
CONECT    5   20   19   18    3                                       
CONECT    6    2    2    8   49                                       
CONECT    7   11    9   50                                            
CONECT    8    9    9    6   51                                       
CONECT    9   10    7    8    8                                       
CONECT   10    3    3    9   52                                       
CONECT   11   17   17   13    7                                       
CONECT   12   35   35   34                                            
CONECT   13   11   28   14   14                                       
CONECT   14   13   13   15   53                                       
CONECT   15   30   30   14   54                                       
CONECT   16   34   34   33                                            
CONECT   17   11   11                                                 
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    4   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   27   22   24                                            
CONECT   24   23   25   59   60                                       
CONECT   25   24   61   62   63                                       
CONECT   26    4   27   64   65                                       
CONECT   27   26   23   66   67                                       
CONECT   28   29   29   13   68                                       
CONECT   29   32   28   28   30                                       
CONECT   30   29   31   15   15                                       
CONECT   31   30   69   70   71                                       
CONECT   32   33   29                                                 
CONECT   33   36   36   16   32                                       
CONECT   34   12   37   16   16                                       
CONECT   35   12   12   36   72                                       
CONECT   36   35   33   33   73                                       
CONECT   37   34   38   74                                            
CONECT   38   37   39   42   75                                       
CONECT   39   38   40   76   77                                       
CONECT   40   39   41   78   79                                       
CONECT   41   42   40   43                                            
CONECT   42   38   41   80   81                                       
CONECT   43   41   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   82   83                                       
CONECT   46   45   84   85   86                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
