COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.179   1.627   0.201  1.00  0.00           C  
HETATM    2  C   UNL     1       5.001   0.543  -0.096  1.00  0.00           C  
HETATM    3  C   UNL     1       6.157   0.775  -0.865  1.00  0.00           C  
HETATM    4  N   UNL     1       6.418   2.011  -1.274  1.00  0.00           N  
HETATM    5  N   UNL     1       4.507   2.828  -0.250  1.00  0.00           N  
HETATM    6  O   UNL     1      -9.909  -0.431  -2.139  1.00  0.00           O  
HETATM    7  C   UNL     1     -10.173  -0.354  -0.962  1.00  0.00           C  
HETATM    8  O   UNL     1     -11.446  -0.472  -0.551  1.00  0.00           O  
HETATM    9  C   UNL     1      -9.075  -0.125   0.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.731  -0.028  -0.682  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.616   0.205   0.339  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.361   0.295  -0.339  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.259   0.502   0.428  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.010   0.607  -0.165  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.383   0.616   1.806  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.263   0.827   2.587  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.016   0.926   1.998  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.888   0.824   0.620  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.662   0.922   0.042  1.00  0.00           O  
HETATM   20  C   UNL     1       0.451   1.129   0.914  1.00  0.00           C  
HETATM   21  C   UNL     1       1.737   1.213   0.088  1.00  0.00           C  
HETATM   22  C   UNL     1       2.929   1.435   1.021  1.00  0.00           C  
HETATM   23  C   UNL     1       5.606   3.012  -0.966  1.00  0.00           C  
HETATM   24  N   UNL     1       5.908   4.285  -1.416  1.00  0.00           N  
HETATM   25  N   UNL     1       7.008  -0.267  -1.188  1.00  0.00           N  
HETATM   26  C   UNL     1       4.668  -0.819   0.384  1.00  0.00           C  
HETATM   27  C   UNL     1       4.288  -1.807  -0.522  1.00  0.00           C  
HETATM   28  C   UNL     1       3.978  -3.075  -0.068  1.00  0.00           C  
HETATM   29 CL   UNL     1       3.505  -4.307  -1.196  1.00  0.00          Cl  
HETATM   30  C   UNL     1       4.046  -3.364   1.284  1.00  0.00           C  
HETATM   31  C   UNL     1       4.422  -2.386   2.187  1.00  0.00           C  
HETATM   32  C   UNL     1       4.739  -1.118   1.744  1.00  0.00           C  
HETATM   33  H   UNL     1     -12.116  -0.618  -1.233  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.264   0.803   0.583  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.048  -0.956   0.748  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.542  -0.956  -1.222  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.758   0.804  -1.387  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.805   1.132   0.879  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.589  -0.627   1.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.911   0.518  -1.237  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.356   0.539   2.268  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.362   0.916   3.658  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.142   1.092   2.611  1.00  0.00           H  
HETATM   44  H   UNL     1       0.313   2.059   1.465  1.00  0.00           H  
HETATM   45  H   UNL     1       0.524   0.298   1.615  1.00  0.00           H  
HETATM   46  H   UNL     1       1.875   0.283  -0.464  1.00  0.00           H  
HETATM   47  H   UNL     1       1.664   2.044  -0.614  1.00  0.00           H  
HETATM   48  H   UNL     1       3.049   0.567   1.669  1.00  0.00           H  
HETATM   49  H   UNL     1       2.753   2.322   1.629  1.00  0.00           H  
HETATM   50  H   UNL     1       5.320   5.026  -1.206  1.00  0.00           H  
HETATM   51  H   UNL     1       6.709   4.436  -1.942  1.00  0.00           H  
HETATM   52  H   UNL     1       6.810  -1.166  -0.884  1.00  0.00           H  
HETATM   53  H   UNL     1       7.803  -0.097  -1.718  1.00  0.00           H  
HETATM   54  H   UNL     1       4.235  -1.582  -1.577  1.00  0.00           H  
HETATM   55  H   UNL     1       3.803  -4.356   1.635  1.00  0.00           H  
HETATM   56  H   UNL     1       4.472  -2.617   3.241  1.00  0.00           H  
HETATM   57  H   UNL     1       5.037  -0.357   2.451  1.00  0.00           H  
CONECT    1    5   22    2    2                                       
CONECT    2    1    1    3   26                                       
CONECT    3    4    4    2   25                                       
CONECT    4   23    3    3                                            
CONECT    5   23   23    1                                            
CONECT    6    7    7                                                 
CONECT    7    6    6    8    9                                       
CONECT    8    7   33                                                 
CONECT    9   10    7   34   35                                       
CONECT   10   11    9   36   37                                       
CONECT   11   12   10   38   39                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   15   12                                       
CONECT   14   18   13   13   40                                       
CONECT   15   16   16   13   41                                       
CONECT   16   17   15   15   42                                       
CONECT   17   18   18   16   43                                       
CONECT   18   19   17   17   14                                       
CONECT   19   20   18                                                 
CONECT   20   21   19   44   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   21    1   48   49                                       
CONECT   23   24    5    5    4                                       
CONECT   24   23   50   51                                            
CONECT   25    3   52   53                                            
CONECT   26    2   27   27   32                                       
CONECT   27   26   26   28   54                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28                                                      
CONECT   30   28   28   31   55                                       
CONECT   31   32   32   30   56                                       
CONECT   32   26   31   31   57                                       
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
