COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.217  -4.299  -0.842  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.474  -3.789  -2.214  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.363  -2.836  -2.463  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.172  -2.101  -1.119  1.00  0.00           C  
HETATM    5  N   UNL     1       1.254  -1.845  -0.874  1.00  0.00           N  
HETATM    6  C   UNL     1       1.679  -0.587  -1.503  1.00  0.00           C  
HETATM    7  C   UNL     1       3.143  -0.360  -1.232  1.00  0.00           C  
HETATM    8  C   UNL     1       4.092  -0.850  -2.109  1.00  0.00           C  
HETATM    9  C   UNL     1       5.441  -0.642  -1.861  1.00  0.00           C  
HETATM   10  O   UNL     1       6.374  -1.125  -2.723  1.00  0.00           O  
HETATM   11  C   UNL     1       5.837   0.060  -0.732  1.00  0.00           C  
HETATM   12  C   UNL     1       4.884   0.551   0.146  1.00  0.00           C  
HETATM   13  O   UNL     1       5.269   1.240   1.252  1.00  0.00           O  
HETATM   14  C   UNL     1       3.535   0.344  -0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.735  -3.063  -0.053  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.857  -2.440   0.654  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.745  -2.134   2.277  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.071  -1.903   2.734  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.900  -3.139   2.819  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.884  -0.608   2.462  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.592   0.561   2.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.923   1.759   2.827  1.00  0.00           C  
HETATM   23  C   UNL     1       0.470   1.791   2.752  1.00  0.00           C  
HETATM   24  C   UNL     1       1.193   3.071   2.907  1.00  0.00           C  
HETATM   25  N   UNL     1       2.539   3.098   2.833  1.00  0.00           N  
HETATM   26  O   UNL     1       0.574   4.099   3.101  1.00  0.00           O  
HETATM   27  C   UNL     1       1.178   0.608   2.529  1.00  0.00           C  
HETATM   28  C   UNL     1       0.498  -0.584   2.391  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.078  -2.089  -0.076  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.925  -0.716  -0.679  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.519  -0.580  -1.993  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.379   0.680  -2.546  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.646   1.802  -1.784  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.493   3.175  -2.387  1.00  0.00           C  
HETATM   35  F   UNL     1      -3.704   3.568  -2.966  1.00  0.00           F  
HETATM   36  F   UNL     1      -2.138   4.086  -1.387  1.00  0.00           F  
HETATM   37  F   UNL     1      -1.495   3.146  -3.367  1.00  0.00           F  
HETATM   38  C   UNL     1      -3.053   1.666  -0.470  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.197   0.406   0.081  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.135  -4.694  -0.406  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.443  -5.065  -0.860  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.463  -4.541  -2.887  1.00  0.00           H  
HETATM   43  H   UNL     1       0.546  -3.373  -2.734  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.636  -2.129  -3.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.730  -1.164  -1.117  1.00  0.00           H  
HETATM   46  H   UNL     1       1.456  -1.841   0.114  1.00  0.00           H  
HETATM   47  H   UNL     1       1.513  -0.646  -2.579  1.00  0.00           H  
HETATM   48  H   UNL     1       1.100   0.239  -1.091  1.00  0.00           H  
HETATM   49  H   UNL     1       3.783  -1.397  -2.987  1.00  0.00           H  
HETATM   50  H   UNL     1       6.611  -0.510  -3.431  1.00  0.00           H  
HETATM   51  H   UNL     1       6.887   0.222  -0.538  1.00  0.00           H  
HETATM   52  H   UNL     1       5.347   2.193   1.115  1.00  0.00           H  
HETATM   53  H   UNL     1       2.792   0.730   0.572  1.00  0.00           H  
HETATM   54  H   UNL     1       0.047  -3.346   0.652  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.670   0.535   2.740  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.477   2.670   2.999  1.00  0.00           H  
HETATM   57  H   UNL     1       3.033   2.278   2.679  1.00  0.00           H  
HETATM   58  H   UNL     1       3.013   3.938   2.935  1.00  0.00           H  
HETATM   59  H   UNL     1       2.256   0.626   2.470  1.00  0.00           H  
HETATM   60  H   UNL     1       1.044  -1.500   2.224  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.249  -2.817  -0.869  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.925  -2.093   0.610  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.311  -1.457  -2.588  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.061   0.786  -3.572  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.262   2.543   0.124  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.518   0.299   1.107  1.00  0.00           H  
CONECT    1    2   15   40   41                                       
CONECT    2    1    3   42                                            
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   15   45                                       
CONECT    5    4    6   46                                            
CONECT    6    5    7   47   48                                       
CONECT    7    6    8    8   14                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   50                                                 
CONECT   11    9    9   12   51                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   52                                                 
CONECT   14    7   12   12   53                                       
CONECT   15    1    4   16   54                                       
CONECT   16   15   17   29                                            
CONECT   17   16   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   28                                       
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   56                                       
CONECT   23   22   22   24   27                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   57   58                                            
CONECT   26   24   24                                                 
CONECT   27   23   28   28   59                                       
CONECT   28   20   27   27   60                                       
CONECT   29   16   30   61   62                                       
CONECT   30   29   31   31   39                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   34   38                                       
CONECT   34   33   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   33   39   39   65                                       
CONECT   39   30   38   38   66                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
