COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.636  -2.369  -0.889  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.629  -1.688  -0.826  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.716  -0.386  -0.488  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.970   0.229  -0.387  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.106   1.567  -0.700  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.363   2.174  -0.596  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.857   3.526  -0.839  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.134   3.535  -0.580  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.550   2.264  -0.171  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.472   1.416  -0.176  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.307   0.067   0.133  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.077  -0.515   0.023  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.365  -2.265  -1.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.765  -2.088  -2.299  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.450  -1.263  -3.357  1.00  0.00           C  
HETATM   16  N   UNL     1       0.454  -2.645  -2.565  1.00  0.00           N  
HETATM   17  C   UNL     1       1.137  -3.392  -1.687  1.00  0.00           C  
HETATM   18  O   UNL     1       2.216  -3.846  -2.015  1.00  0.00           O  
HETATM   19  N   UNL     1       0.666  -3.657  -0.452  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.639  -3.095  -0.065  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.433  -2.247   1.163  1.00  0.00           C  
HETATM   22  C   UNL     1       0.607  -1.343   1.208  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.293  -2.373   2.241  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.113  -1.599   3.372  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.070  -0.692   3.434  1.00  0.00           C  
HETATM   26  F   UNL     1       0.106   0.064   4.540  1.00  0.00           F  
HETATM   27  C   UNL     1       0.797  -0.557   2.346  1.00  0.00           C  
HETATM   28  C   UNL     1       1.913   0.409   2.403  1.00  0.00           C  
HETATM   29  O   UNL     1       2.142   1.014   3.432  1.00  0.00           O  
HETATM   30  N   UNL     1       2.677   0.621   1.313  1.00  0.00           N  
HETATM   31  C   UNL     1       3.856   1.486   1.401  1.00  0.00           C  
HETATM   32  C   UNL     1       4.462   1.651   0.031  1.00  0.00           C  
HETATM   33  C   UNL     1       4.122   2.743  -0.751  1.00  0.00           C  
HETATM   34  O   UNL     1       3.241   3.667  -0.284  1.00  0.00           O  
HETATM   35  C   UNL     1       2.936   4.766  -1.144  1.00  0.00           C  
HETATM   36  C   UNL     1       5.366   0.714  -0.446  1.00  0.00           C  
HETATM   37  O   UNL     1       5.705  -0.355   0.321  1.00  0.00           O  
HETATM   38  C   UNL     1       6.722  -1.221  -0.187  1.00  0.00           C  
HETATM   39  C   UNL     1       5.922   0.868  -1.708  1.00  0.00           C  
HETATM   40  C   UNL     1       5.577   1.955  -2.488  1.00  0.00           C  
HETATM   41  C   UNL     1       4.681   2.893  -2.013  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.910   0.125  -0.314  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.249   2.141  -1.021  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.270   4.368  -1.173  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.154  -0.519   0.456  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.959  -1.561   0.260  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.230  -0.208  -3.195  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.089  -1.562  -4.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.527  -1.422  -3.302  1.00  0.00           H  
HETATM   50  H   UNL     1       1.177  -4.200   0.168  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.293  -3.924   0.209  1.00  0.00           H  
HETATM   52  H   UNL     1       1.273  -1.244   0.364  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.109  -3.080   2.198  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.787  -1.703   4.209  1.00  0.00           H  
HETATM   55  H   UNL     1       2.447   0.200   0.470  1.00  0.00           H  
HETATM   56  H   UNL     1       3.563   2.461   1.789  1.00  0.00           H  
HETATM   57  H   UNL     1       4.589   1.035   2.071  1.00  0.00           H  
HETATM   58  H   UNL     1       2.503   4.392  -2.072  1.00  0.00           H  
HETATM   59  H   UNL     1       2.223   5.427  -0.651  1.00  0.00           H  
HETATM   60  H   UNL     1       3.849   5.318  -1.366  1.00  0.00           H  
HETATM   61  H   UNL     1       7.659  -0.670  -0.273  1.00  0.00           H  
HETATM   62  H   UNL     1       6.857  -2.062   0.494  1.00  0.00           H  
HETATM   63  H   UNL     1       6.427  -1.592  -1.168  1.00  0.00           H  
HETATM   64  H   UNL     1       6.626   0.138  -2.080  1.00  0.00           H  
HETATM   65  H   UNL     1       6.012   2.073  -3.470  1.00  0.00           H  
HETATM   66  H   UNL     1       4.416   3.744  -2.623  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.456   2.021   0.077  1.00  0.00           H  
HETATM   68  H   UNL     1       0.847  -2.492  -3.438  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   42                                            
CONECT    4    5    5    3   12                                       
CONECT    5    6    4    4   43                                       
CONECT    6    7    5   10   10                                       
CONECT    7    8    8    6   44                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   67                                            
CONECT   10    6    6    9   11                                       
CONECT   11   10   12   12   45                                       
CONECT   12    4   11   11   46                                       
CONECT   13   20    2   14   14                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   47   48   49                                       
CONECT   16   17   14   68                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   50                                            
CONECT   20   21   19   13   51                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21   27   52                                       
CONECT   23   24   24   21   53                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   22   28                                       
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   55                                            
CONECT   31   30   32   56   57                                       
CONECT   32   31   33   33   36                                       
CONECT   33   34   32   32   41                                       
CONECT   34   35   33                                                 
CONECT   35   34   58   59   60                                       
CONECT   36   32   37   39   39                                       
CONECT   37   38   36                                                 
CONECT   38   37   61   62   63                                       
CONECT   39   36   36   40   64                                       
CONECT   40   41   41   39   65                                       
CONECT   41   33   40   40   66                                       
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67    9                                                      
CONECT   68   16                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
