COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.244  -0.132  -1.764  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.573   0.884  -1.200  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.477   1.702  -1.762  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.973   1.230   0.139  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.051   0.210   0.526  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.423   0.443   1.788  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.461  -0.706   2.099  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.369  -0.710   1.117  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.559  -1.931   1.235  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.484  -1.934   0.145  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.532   0.490   1.255  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.457   0.487   0.166  1.00  0.00           C  
HETATM   13  N   UNL     1       0.353  -0.734   0.283  1.00  0.00           N  
HETATM   14  C   UNL     1       1.445  -0.738  -0.699  1.00  0.00           C  
HETATM   15  C   UNL     1       2.334   0.456  -0.467  1.00  0.00           C  
HETATM   16  C   UNL     1       2.842   1.160  -1.543  1.00  0.00           C  
HETATM   17  C   UNL     1       3.657   2.255  -1.331  1.00  0.00           C  
HETATM   18  C   UNL     1       3.966   2.648  -0.041  1.00  0.00           C  
HETATM   19 CL   UNL     1       4.990   4.024   0.227  1.00  0.00          Cl  
HETATM   20  C   UNL     1       3.458   1.943   1.036  1.00  0.00           C  
HETATM   21  C   UNL     1       2.638   0.851   0.823  1.00  0.00           C  
HETATM   22  C   UNL     1       2.252  -2.002  -0.548  1.00  0.00           C  
HETATM   23  C   UNL     1       2.713  -2.665  -1.670  1.00  0.00           C  
HETATM   24  C   UNL     1       3.453  -3.825  -1.531  1.00  0.00           C  
HETATM   25  C   UNL     1       3.732  -4.321  -0.271  1.00  0.00           C  
HETATM   26  C   UNL     1       3.270  -3.657   0.850  1.00  0.00           C  
HETATM   27  C   UNL     1       2.535  -2.495   0.712  1.00  0.00           C  
HETATM   28  H   UNL     1      -7.836   1.435  -2.619  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.451   2.184   0.067  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.766   1.305   0.884  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.868   1.381   1.751  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.183   0.502   2.567  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.049  -0.574   3.100  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.999  -1.653   2.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.084  -1.958   2.215  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.200  -2.805   1.116  1.00  0.00           H  
HETATM   37  H   UNL     1       0.136  -2.824   0.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.961  -1.934  -0.835  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.152   1.380   1.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.056   0.490   2.236  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.933   0.514  -0.815  1.00  0.00           H  
HETATM   42  H   UNL     1       0.183   1.361   0.284  1.00  0.00           H  
HETATM   43  H   UNL     1       1.029  -0.691  -1.705  1.00  0.00           H  
HETATM   44  H   UNL     1       2.601   0.853  -2.550  1.00  0.00           H  
HETATM   45  H   UNL     1       4.054   2.805  -2.172  1.00  0.00           H  
HETATM   46  H   UNL     1       3.695   2.251   2.044  1.00  0.00           H  
HETATM   47  H   UNL     1       2.241   0.301   1.663  1.00  0.00           H  
HETATM   48  H   UNL     1       2.495  -2.278  -2.654  1.00  0.00           H  
HETATM   49  H   UNL     1       3.813  -4.343  -2.407  1.00  0.00           H  
HETATM   50  H   UNL     1       4.309  -5.227  -0.163  1.00  0.00           H  
HETATM   51  H   UNL     1       3.487  -4.045   1.834  1.00  0.00           H  
HETATM   52  H   UNL     1       2.175  -1.976   1.588  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   28                                                 
CONECT    4    5    2   29   30                                       
CONECT    5    6    4                                                 
CONECT    6    7    5   31   32                                       
CONECT    7    8    6   33   34                                       
CONECT    8   11    7    9                                            
CONECT    9    8   10   35   36                                       
CONECT   10    9   13   37   38                                       
CONECT   11   12    8   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   10   14                                            
CONECT   14   13   15   22   43                                       
CONECT   15   21   14   16   16                                       
CONECT   16   15   15   17   44                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   20   17   17                                       
CONECT   19   18                                                      
CONECT   20   21   21   18   46                                       
CONECT   21   20   20   15   47                                       
CONECT   22   27   14   23   23                                       
CONECT   23   22   22   24   48                                       
CONECT   24   25   25   23   49                                       
CONECT   25   26   24   24   50                                       
CONECT   26   27   27   25   51                                       
CONECT   27   26   26   22   52                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
