COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.850  -2.461  -2.175  1.00  0.00           C  
HETATM    2  C   UNL     1       3.511  -1.983  -0.881  1.00  0.00           C  
HETATM    3  C   UNL     1       4.506  -0.861  -1.198  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.064  -1.006   0.557  1.00  0.00           N  
HETATM    5  C   UNL     1       2.903  -1.032   1.380  1.00  0.00           C  
HETATM    6  C   UNL     1       1.188  -1.406  -0.340  1.00  0.00           C  
HETATM    7  C   UNL     1       0.187  -0.793   0.558  1.00  0.00           C  
HETATM    8  C   UNL     1       0.337  -0.886   1.943  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.601  -0.311   2.775  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.689   0.356   2.240  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.843   0.452   0.869  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.909  -0.113   0.025  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.031   1.181   0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.196   0.231   0.181  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.878   2.414  -1.268  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.931   1.513  -1.360  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.774   0.205  -0.956  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.546  -0.215  -0.449  1.00  0.00           C  
HETATM   19  F   UNL     1      -3.377   2.243   1.137  1.00  0.00           F  
HETATM   20  F   UNL     1      -2.707   1.676  -0.972  1.00  0.00           F  
HETATM   21  N   UNL     1      -5.104  -1.933   0.476  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.320  -1.596  -0.003  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.213  -2.422  -0.064  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.656   2.021  -0.771  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.473   0.701  -0.355  1.00  0.00           C  
HETATM   26  O   UNL     1       0.846  -1.852  -1.418  1.00  0.00           O  
HETATM   27  N   UNL     1       2.481  -1.472   0.036  1.00  0.00           N  
HETATM   28  C   UNL     1       4.173  -0.234   1.203  1.00  0.00           C  
HETATM   29  N   UNL     1       4.795   0.501   2.071  1.00  0.00           N  
HETATM   30  N   UNL     1       5.848   1.009   1.527  1.00  0.00           N  
HETATM   31  C   UNL     1       5.936   0.615   0.282  1.00  0.00           C  
HETATM   32  C   UNL     1       7.019   0.982  -0.698  1.00  0.00           C  
HETATM   33  F   UNL     1       6.525   1.921  -1.610  1.00  0.00           F  
HETATM   34  F   UNL     1       8.107   1.529  -0.009  1.00  0.00           F  
HETATM   35  F   UNL     1       7.433  -0.164  -1.387  1.00  0.00           F  
HETATM   36  N   UNL     1       4.874  -0.179   0.042  1.00  0.00           N  
HETATM   37  H   UNL     1       3.615  -2.836  -2.856  1.00  0.00           H  
HETATM   38  H   UNL     1       2.143  -3.259  -1.949  1.00  0.00           H  
HETATM   39  H   UNL     1       2.323  -1.630  -2.643  1.00  0.00           H  
HETATM   40  H   UNL     1       4.037  -2.814  -0.412  1.00  0.00           H  
HETATM   41  H   UNL     1       5.399  -1.285  -1.659  1.00  0.00           H  
HETATM   42  H   UNL     1       4.047  -0.149  -1.884  1.00  0.00           H  
HETATM   43  H   UNL     1       2.130  -0.406   1.826  1.00  0.00           H  
HETATM   44  H   UNL     1       3.093  -1.899   2.012  1.00  0.00           H  
HETATM   45  H   UNL     1       1.185  -1.408   2.361  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.486  -0.383   3.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.420   0.804   2.896  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.029  -0.034  -1.045  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.021   3.435  -1.590  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.882   1.840  -1.753  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.598  -0.490  -1.030  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.949  -2.844   0.771  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.843   2.730  -0.703  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2   27    1    3   40                                       
CONECT    3    2   36   41   42                                       
CONECT    4   14   14   21                                            
CONECT    5   27   28   43   44                                       
CONECT    6   26   26    7   27                                       
CONECT    7    8    6   12   12                                       
CONECT    8    9    9    7   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10    9   11   11   47                                       
CONECT   11   10   10   12   13                                       
CONECT   12    7    7   11   48                                       
CONECT   13   11   14   19   20                                       
CONECT   14   25   13    4    4                                       
CONECT   15   16   16   24   49                                       
CONECT   16   15   15   17   50                                       
CONECT   17   16   18   18   51                                       
CONECT   18   17   17   25   22                                       
CONECT   19   13                                                      
CONECT   20   13                                                      
CONECT   21   22    4   52                                            
CONECT   22   18   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   15   25   25   53                                       
CONECT   25   24   24   18   14                                       
CONECT   26    6    6                                                 
CONECT   27    6    5    2                                            
CONECT   28    5   29   29   36                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31                                            
CONECT   31   36   30   30   32                                       
CONECT   32   31   34   33   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   28    3   31                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
