COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.739  -0.617  -1.439  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.243  -0.262  -2.488  1.00  0.00           O  
HETATM    3  O   UNL     1       9.064   1.079   1.086  1.00  0.00           O  
HETATM    4  C   UNL     1       8.168   0.184   0.626  1.00  0.00           C  
HETATM    5  O   UNL     1       8.497  -0.973   0.457  1.00  0.00           O  
HETATM    6  C   UNL     1       6.786   0.610   0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       5.854  -0.315  -0.143  1.00  0.00           C  
HETATM    8  C   UNL     1       6.405   1.940   0.521  1.00  0.00           C  
HETATM    9  C   UNL     1       5.112   2.335   0.242  1.00  0.00           C  
HETATM   10  C   UNL     1       4.191   1.418  -0.229  1.00  0.00           C  
HETATM   11  C   UNL     1       4.558   0.092  -0.421  1.00  0.00           C  
HETATM   12  N   UNL     1       3.620  -0.833  -0.893  1.00  0.00           N  
HETATM   13  C   UNL     1       2.320  -0.704  -0.561  1.00  0.00           C  
HETATM   14  O   UNL     1       1.942   0.283   0.034  1.00  0.00           O  
HETATM   15  C   UNL     1       1.338  -1.786  -0.928  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.017  -1.355  -0.576  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.598  -1.725   0.721  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.730  -2.697   0.489  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.557  -3.962   0.688  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.573  -4.869   0.356  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.119  -4.891  -1.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.088  -5.793   1.369  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.962  -2.214   0.059  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.054  -1.466  -1.199  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.156  -0.221  -1.111  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.217   0.355   0.305  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.200   1.497   0.340  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.778   2.781   0.053  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.529   1.259   0.656  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.947  -0.004   0.935  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.349  -0.193   1.139  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.432   2.312   0.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.005   3.595   0.406  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.680   3.830   0.086  1.00  0.00           C  
HETATM   35 CL   UNL     1      -3.145   5.443  -0.269  1.00  0.00          Cl  
HETATM   36  H   UNL     1       9.957   0.754   1.267  1.00  0.00           H  
HETATM   37  H   UNL     1       6.142  -1.346  -0.292  1.00  0.00           H  
HETATM   38  H   UNL     1       7.121   2.659   0.889  1.00  0.00           H  
HETATM   39  H   UNL     1       4.819   3.364   0.393  1.00  0.00           H  
HETATM   40  H   UNL     1       3.181   1.733  -0.446  1.00  0.00           H  
HETATM   41  H   UNL     1       3.905  -1.567  -1.460  1.00  0.00           H  
HETATM   42  H   UNL     1       1.391  -1.977  -2.000  1.00  0.00           H  
HETATM   43  H   UNL     1       1.582  -2.698  -0.384  1.00  0.00           H  
HETATM   44  H   UNL     1       0.165  -2.194   1.342  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.976  -0.832   1.220  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.555  -4.204  -1.633  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.044  -5.901  -1.407  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.166  -4.587  -0.979  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.924  -5.330   1.893  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.426  -6.710   0.885  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.298  -6.029   2.082  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.725  -2.098  -2.024  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.087  -1.159  -1.365  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.500   0.527  -1.825  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.538  -0.422   0.999  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.230   0.715   0.594  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.744   2.965  -0.198  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.546  -1.244   1.352  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.679   0.416   1.980  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.890   0.103   0.240  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.468   2.129   0.934  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.708   4.415   0.431  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.758  -2.372   0.590  1.00  0.00           H  
CONECT    1   25   16    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    4   36                                                 
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7    8                                       
CONECT    7    6    6   11   37                                       
CONECT    8    6    9    9   38                                       
CONECT    9    8    8   10   39                                       
CONECT   10   11   11    9   40                                       
CONECT   11    7   12   10   10                                       
CONECT   12   13   11   41                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   42   43                                       
CONECT   16   17    1   15                                            
CONECT   17   18   16   44   45                                       
CONECT   18   23   19   19   17                                       
CONECT   19   20   18   18                                            
CONECT   20   22   19   21                                            
CONECT   21   20   46   47   48                                       
CONECT   22   20   49   50   51                                       
CONECT   23   24   18   63                                            
CONECT   24   25   23   52   53                                       
CONECT   25   26   24    1   54                                       
CONECT   26   27   25   55   56                                       
CONECT   27   29   29   28   26                                       
CONECT   28   34   34   27   57                                       
CONECT   29   32   30   27   27                                       
CONECT   30   31   29                                                 
CONECT   31   30   58   59   60                                       
CONECT   32   33   33   29   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   33   35   28   28                                       
CONECT   35   34                                                      
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   23                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
