COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.940  -0.740   8.350  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.887  -1.381   7.804  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.772  -0.700   7.479  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.682   0.623   7.700  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.728   1.311   8.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.860   0.654   8.583  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.951  -1.354   8.640  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.831  -1.291   6.987  1.00  0.00           O  
HETATM    9  C   UNL     1       0.775   0.696   8.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.454   1.337   7.340  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.168   1.181   5.934  1.00  0.00           O  
HETATM   12  C   UNL     1       1.233   1.444   5.758  1.00  0.00           C  
HETATM   13  C   UNL     1       1.934   1.117   7.091  1.00  0.00           C  
HETATM   14  C   UNL     1       1.793   0.558   4.644  1.00  0.00           C  
HETATM   15  O   UNL     1       2.604   2.269   7.607  1.00  0.00           O  
HETATM   16  O   UNL     1       0.962   1.235   9.342  1.00  0.00           O  
HETATM   17  O   UNL     1       1.132   0.863   3.414  1.00  0.00           O  
HETATM   18  P   UNL     1       1.768  -0.100   2.293  1.00  0.00           P  
HETATM   19  O   UNL     1       1.545  -1.513   2.672  1.00  0.00           O  
HETATM   20  O   UNL     1       3.349   0.180   2.177  1.00  0.00           O  
HETATM   21  O   UNL     1       1.065   0.190   0.874  1.00  0.00           O  
HETATM   22  P   UNL     1       1.745  -0.802  -0.194  1.00  0.00           P  
HETATM   23  O   UNL     1       1.087  -0.563  -1.644  1.00  0.00           O  
HETATM   24  O   UNL     1       1.523  -2.204   0.223  1.00  0.00           O  
HETATM   25  O   UNL     1       3.327  -0.509  -0.269  1.00  0.00           O  
HETATM   26  C   UNL     1       1.729  -1.469  -2.544  1.00  0.00           C  
HETATM   27  C   UNL     1       1.754  -0.859  -3.947  1.00  0.00           C  
HETATM   28  C   UNL     1       0.316  -0.578  -4.398  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.501  -1.867  -4.258  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.356  -2.400  -2.831  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.196  -3.670  -2.676  1.00  0.00           C  
HETATM   32  C   UNL     1       3.842   0.378  -4.156  1.00  0.00           C  
HETATM   33  N   UNL     1       2.514   0.392  -3.924  1.00  0.00           N  
HETATM   34  O   UNL     1       0.309  -0.151  -5.761  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.878  -1.594  -4.529  1.00  0.00           O  
HETATM   36  O   UNL     1       1.012  -2.702  -2.565  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.067  -4.166  -1.342  1.00  0.00           O  
HETATM   38  O   UNL     1       4.407  -0.669  -4.383  1.00  0.00           O  
HETATM   39  C   UNL     1       4.624   1.666  -4.132  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.706   0.847  -5.876  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.894   1.216  -7.349  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.934   0.339  -5.351  1.00  0.00           O  
HETATM   43  P   UNL     1      -3.121   1.067  -6.160  1.00  0.00           P  
HETATM   44  O   UNL     1      -3.122   0.598  -7.563  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.534   0.710  -5.474  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.895   2.660  -6.126  1.00  0.00           O  
HETATM   47  C   UNL     1      -0.296   2.072  -5.100  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.094   3.151  -5.080  1.00  0.00           O  
HETATM   49  O   UNL     1       0.750   2.082  -4.496  1.00  0.00           O  
HETATM   50  F   UNL     1      -1.123   0.054  -8.095  1.00  0.00           F  
HETATM   51  H   UNL     1      -2.934  -2.336   7.641  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.648   2.374   8.423  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.693   1.184   9.020  1.00  0.00           H  
HETATM   54  H   UNL     1       0.679  -0.389   8.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.534   2.392   7.601  1.00  0.00           H  
HETATM   56  H   UNL     1       1.384   2.494   5.507  1.00  0.00           H  
HETATM   57  H   UNL     1       2.638   0.295   6.959  1.00  0.00           H  
HETATM   58  H   UNL     1       1.628  -0.489   4.895  1.00  0.00           H  
HETATM   59  H   UNL     1       2.862   0.741   4.537  1.00  0.00           H  
HETATM   60  H   UNL     1       2.969   2.018   8.466  1.00  0.00           H  
HETATM   61  H   UNL     1       1.739   0.797   9.716  1.00  0.00           H  
HETATM   62  H   UNL     1       3.450   1.109   1.928  1.00  0.00           H  
HETATM   63  H   UNL     1       3.428   0.411  -0.544  1.00  0.00           H  
HETATM   64  H   UNL     1       2.750  -1.650  -2.209  1.00  0.00           H  
HETATM   65  H   UNL     1       2.223  -1.558  -4.640  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.116   0.199  -3.769  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.132  -2.610  -4.965  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.705  -1.647  -2.126  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.242  -3.441  -2.880  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.846  -4.425  -3.380  1.00  0.00           H  
HETATM   71  H   UNL     1       2.062   1.230  -3.742  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.354  -2.429  -4.425  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.611  -4.964  -1.288  1.00  0.00           H  
HETATM   74  H   UNL     1       5.674   1.458  -4.339  1.00  0.00           H  
HETATM   75  H   UNL     1       4.231   2.344  -4.890  1.00  0.00           H  
HETATM   76  H   UNL     1       4.533   2.129  -3.149  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.747   1.886  -7.449  1.00  0.00           H  
HETATM   78  H   UNL     1       0.003   1.712  -7.717  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.216   1.164  -5.988  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.902   2.924  -5.195  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.831   3.937  -4.582  1.00  0.00           H  
CONECT    1    2    6    7    7                                       
CONECT    2    1    3   51                                            
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   10                                            
CONECT    5    4    6    6   52                                       
CONECT    6    1    5    5   53                                       
CONECT    7    1    1                                                 
CONECT    8    3    3                                                 
CONECT    9   10   13   16   54                                       
CONECT   10    4    9   11   55                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   56                                       
CONECT   13    9   12   15   57                                       
CONECT   14   12   17   58   59                                       
CONECT   15   13   60                                                 
CONECT   16    9   61                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   62                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24   24                                       
CONECT   22   25                                                      
CONECT   23   22   26                                                 
CONECT   24   22   22                                                 
CONECT   25   22   63                                                 
CONECT   26   23   27   36   64                                       
CONECT   27   26   28   33   65                                       
CONECT   28   27   29   34   66                                       
CONECT   29   28   30   35   67                                       
CONECT   30   29   31   36   68                                       
CONECT   31   30   37   69   70                                       
CONECT   32   33   38   38   39                                       
CONECT   33   27   32   71                                            
CONECT   34   28   40                                                 
CONECT   35   29   72                                                 
CONECT   36   26   30                                                 
CONECT   37   31   73                                                 
CONECT   38   32   32                                                 
CONECT   39   32   74   75   76                                       
CONECT   40   34   41   42   47                                       
CONECT   41   40   50   77   78                                       
CONECT   42   40   43                                                 
CONECT   43   42   44   44   45                                       
CONECT   43   46                                                      
CONECT   44   43   43                                                 
CONECT   45   43   79                                                 
CONECT   46   43   80                                                 
CONECT   47   40   48   49   49                                       
CONECT   48   47   81                                                 
CONECT   49   47   47                                                 
CONECT   50   41                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   20                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   48                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
