COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.824  -1.197  -0.044  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.794  -2.025  -0.581  1.00  0.00           C  
HETATM    3  F   UNL     1      -9.862  -3.320  -0.201  1.00  0.00           F  
HETATM    4  C   UNL     1     -10.696  -1.527  -1.506  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.628  -0.202  -1.896  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.662   0.628  -1.365  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.756   0.133  -0.435  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.777   0.973   0.106  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.563   0.478   0.421  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.291  -0.674   0.155  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.545   1.356   1.102  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.283   0.568   1.341  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.001   0.930   0.918  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.200  -0.568   1.985  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.860  -0.976   1.992  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.136  -0.038   1.328  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.761  -0.061   1.109  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.155   0.967   0.416  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.866   1.986  -0.050  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.298   2.978  -0.716  1.00  0.00           C  
HETATM   21  N   UNL     1       0.990   3.027  -0.961  1.00  0.00           N  
HETATM   22  C   UNL     1       1.802   2.047  -0.535  1.00  0.00           C  
HETATM   23  C   UNL     1       3.180   2.069  -0.781  1.00  0.00           C  
HETATM   24  C   UNL     1       1.241   0.965   0.188  1.00  0.00           C  
HETATM   25  C   UNL     1       2.067  -0.068   0.649  1.00  0.00           C  
HETATM   26  C   UNL     1       3.406  -0.022   0.403  1.00  0.00           C  
HETATM   27  C   UNL     1       3.966   1.035  -0.320  1.00  0.00           C  
HETATM   28  O   UNL     1       5.304   1.052  -0.556  1.00  0.00           O  
HETATM   29  C   UNL     1       6.065  -0.047  -0.053  1.00  0.00           C  
HETATM   30  C   UNL     1       7.540   0.146  -0.414  1.00  0.00           C  
HETATM   31  C   UNL     1       8.355  -1.031   0.125  1.00  0.00           C  
HETATM   32  N   UNL     1       9.771  -0.845  -0.221  1.00  0.00           N  
HETATM   33  C   UNL     1       9.971  -0.917  -1.675  1.00  0.00           C  
HETATM   34  C   UNL     1       9.453  -2.259  -2.195  1.00  0.00           C  
HETATM   35  C   UNL     1      10.616  -1.824   0.476  1.00  0.00           C  
HETATM   36  C   UNL     1      12.075  -1.366   0.423  1.00  0.00           C  
HETATM   37  O   UNL     1      12.222  -0.155   1.168  1.00  0.00           O  
HETATM   38  H   UNL     1      -8.124  -1.585   0.681  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.453  -2.174  -1.924  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.333   0.184  -2.619  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.610   1.663  -1.671  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.971   1.911   0.255  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.323   2.214   0.468  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.944   1.702   2.056  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.743   1.820   0.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.511  -1.784   2.400  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.229  -0.800   1.444  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.922   3.783  -1.074  1.00  0.00           H  
HETATM   49  H   UNL     1       3.623   2.888  -1.327  1.00  0.00           H  
HETATM   50  H   UNL     1       1.644  -0.896   1.197  1.00  0.00           H  
HETATM   51  H   UNL     1       4.041  -0.820   0.760  1.00  0.00           H  
HETATM   52  H   UNL     1       5.960  -0.097   1.031  1.00  0.00           H  
HETATM   53  H   UNL     1       5.701  -0.975  -0.496  1.00  0.00           H  
HETATM   54  H   UNL     1       7.645   0.196  -1.497  1.00  0.00           H  
HETATM   55  H   UNL     1       7.903   1.073   0.030  1.00  0.00           H  
HETATM   56  H   UNL     1       8.250  -1.081   1.209  1.00  0.00           H  
HETATM   57  H   UNL     1       7.991  -1.958  -0.318  1.00  0.00           H  
HETATM   58  H   UNL     1       9.426  -0.105  -2.157  1.00  0.00           H  
HETATM   59  H   UNL     1      11.033  -0.826  -1.900  1.00  0.00           H  
HETATM   60  H   UNL     1      10.297  -1.904   1.515  1.00  0.00           H  
HETATM   61  H   UNL     1      10.522  -2.795  -0.009  1.00  0.00           H  
HETATM   62  H   UNL     1       8.372  -2.309  -2.061  1.00  0.00           H  
HETATM   63  H   UNL     1       9.692  -2.355  -3.254  1.00  0.00           H  
HETATM   64  H   UNL     1       9.925  -3.070  -1.641  1.00  0.00           H  
HETATM   65  H   UNL     1      12.713  -2.137   0.854  1.00  0.00           H  
HETATM   66  H   UNL     1      12.364  -1.193  -0.613  1.00  0.00           H  
HETATM   67  H   UNL     1      13.123   0.194   1.178  1.00  0.00           H  
CONECT    1    2    7    7   38                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   42                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   43   44                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   16   16   45                                       
CONECT   14   12   12   15                                            
CONECT   15   14   16   46                                            
CONECT   16   13   13   15   17                                       
CONECT   17   16   18   47                                            
CONECT   18   17   19   24   24                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   24                                       
CONECT   23   22   27   27   49                                       
CONECT   24   18   18   22   25                                       
CONECT   25   24   26   26   50                                       
CONECT   26   25   25   27   51                                       
CONECT   27   23   23   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   52   53                                       
CONECT   30   29   31   54   55                                       
CONECT   31   30   32   56   57                                       
CONECT   32   31   33   35                                            
CONECT   33   32   34   58   59                                       
CONECT   34   33   62   63   64                                       
CONECT   35   32   36   60   61                                       
CONECT   36   35   37   65   66                                       
CONECT   37   36   67                                                 
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
