COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.011  -1.367  -0.171  1.00  0.00           C  
HETATM    2  C   UNL     1       7.277  -2.166   0.908  1.00  0.00           C  
HETATM    3  C   UNL     1       5.830  -1.919   0.803  1.00  0.00           C  
HETATM    4  C   UNL     1       4.676  -1.722   0.718  1.00  0.00           C  
HETATM    5  C   UNL     1       3.268  -1.482   0.615  1.00  0.00           C  
HETATM    6  C   UNL     1       2.775  -0.627  -0.374  1.00  0.00           C  
HETATM    7  C   UNL     1       1.422  -0.397  -0.472  1.00  0.00           C  
HETATM    8  C   UNL     1       2.386  -2.107   1.501  1.00  0.00           C  
HETATM    9  C   UNL     1       1.033  -1.876   1.402  1.00  0.00           C  
HETATM   10  C   UNL     1       0.541  -1.017   0.416  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.912  -0.769   0.310  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.895  -1.713   0.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.723  -3.210   0.163  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.533   0.449   0.310  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.881   1.684   0.407  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.183   2.704  -0.488  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.369   2.448  -1.729  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -0.538   3.922  -0.389  1.00  0.00           C  
HETATM   19  C   UNL     1       0.408   4.127   0.601  1.00  0.00           C  
HETATM   20 CL   UNL     1       1.221   5.656   0.719  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.710   3.113   1.493  1.00  0.00           C  
HETATM   22  C   UNL     1       0.064   1.895   1.402  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.804   0.292   0.203  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.106  -0.990   0.131  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.461  -1.564   0.002  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.608  -2.769  -0.056  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.534  -0.750  -0.053  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.787  -1.281  -0.173  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.631  -0.898   0.967  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.975  -1.625   0.874  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.662  -1.252  -0.442  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.742  -1.616  -1.610  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.405  -0.889  -1.446  1.00  0.00           C  
HETATM   34  H   UNL     1       7.661  -1.678  -1.155  1.00  0.00           H  
HETATM   35  H   UNL     1       7.813  -0.304  -0.033  1.00  0.00           H  
HETATM   36  H   UNL     1       7.476  -3.229   0.771  1.00  0.00           H  
HETATM   37  H   UNL     1       7.628  -1.855   1.892  1.00  0.00           H  
HETATM   38  H   UNL     1       3.457  -0.148  -1.061  1.00  0.00           H  
HETATM   39  H   UNL     1       1.041   0.264  -1.237  1.00  0.00           H  
HETATM   40  H   UNL     1       2.766  -2.771   2.263  1.00  0.00           H  
HETATM   41  H   UNL     1       0.351  -2.359   2.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.762  -3.606   1.178  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.522  -3.653  -0.431  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.760  -3.453  -0.285  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.771   4.715  -1.084  1.00  0.00           H  
HETATM   46  H   UNL     1       1.449   3.275   2.264  1.00  0.00           H  
HETATM   47  H   UNL     1       0.301   1.105   2.099  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.417   0.212  -0.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.133  -1.173   1.896  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.799   0.178   0.949  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.809  -2.702   0.905  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.607  -1.330   1.712  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.600  -1.800  -0.532  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.864  -0.181  -0.456  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.573  -2.692  -1.618  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.208  -1.314  -2.548  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.574   0.188  -1.452  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.742  -1.158  -2.269  1.00  0.00           H  
HETATM   59  O   UNL     1       9.416  -1.607  -0.068  1.00  0.00           O  
HETATM   60  N   UNL     1      10.191  -0.910  -1.027  1.00  0.00           N1+
HETATM   61  O   UNL     1       9.646  -0.185  -1.840  1.00  0.00           O  
HETATM   62  O   UNL     1      11.402  -1.035  -1.038  1.00  0.00           O1-
CONECT    1    2   34   35   59                                       
CONECT    2    3    1   36   37                                       
CONECT    3    2    4    4    4                                       
CONECT    4    3    3    3    5                                       
CONECT    5    6    4    8    8                                       
CONECT    6    7    7    5   38                                       
CONECT    7    6    6   10   39                                       
CONECT    8    5    5    9   40                                       
CONECT    9   10   10    8   41                                       
CONECT   10    7   11    9    9                                       
CONECT   11   14   10   12   12                                       
CONECT   12   11   11   24   13                                       
CONECT   13   12   42   43   44                                       
CONECT   14   15   23   11                                            
CONECT   15   22   22   16   14                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16                                                      
CONECT   18   19   16   16   45                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19                                                      
CONECT   21   19   19   22   46                                       
CONECT   22   21   15   15   47                                       
CONECT   23   14   24   24                                            
CONECT   24   23   23   12   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   48                                            
CONECT   28   27   33   29                                            
CONECT   29   28   30   49   50                                       
CONECT   30   29   31   51   52                                       
CONECT   31   32   30   53   54                                       
CONECT   32   33   31   55   56                                       
CONECT   33   28   32   57   58                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59    1   60                                                 
CONECT   60   59   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
