COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.014   0.426  -0.317  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.783  -0.151  -0.293  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.449  -0.754  -0.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.056   0.567  -0.558  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.721   0.908  -0.445  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.296   2.344  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.776  -0.064  -0.178  1.00  0.00           C  
HETATM    8  C   UNL     1       0.678   0.314  -0.056  1.00  0.00           C  
HETATM    9  C   UNL     1       1.505  -0.507  -1.048  1.00  0.00           C  
HETATM   10  C   UNL     1       2.987  -0.162  -0.877  1.00  0.00           C  
HETATM   11  C   UNL     1       2.655   0.352   1.468  1.00  0.00           C  
HETATM   12  C   UNL     1       1.164   0.023   1.367  1.00  0.00           C  
HETATM   13  C   UNL     1       4.852  -0.272   0.662  1.00  0.00           C  
HETATM   14  C   UNL     1       6.585   1.377   0.495  1.00  0.00           C  
HETATM   15  C   UNL     1       7.402   0.491  -0.450  1.00  0.00           C  
HETATM   16  C   UNL     1       7.105  -0.980  -0.144  1.00  0.00           C  
HETATM   17  C   UNL     1       5.599  -1.223  -0.276  1.00  0.00           C  
HETATM   18  C   UNL     1       6.827   2.826   0.161  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.161  -1.384  -0.022  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.496  -1.733  -0.129  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.842  -3.984   0.275  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.491  -3.984   1.764  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.324  -5.376  -0.136  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.341   1.987   0.366  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.674   1.702   0.140  1.00  0.00           C  
HETATM   26  N   UNL     1      -9.339   0.096  -0.559  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.049  -0.464  -0.523  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.801  -1.103  -0.517  1.00  0.00           N  
HETATM   29  N   UNL     1       3.404  -0.459   0.499  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.431   1.048   0.145  1.00  0.00           N  
HETATM   31  O   UNL     1       5.196   1.078   0.343  1.00  0.00           O  
HETATM   32  O   UNL     1       5.301  -2.575   0.078  1.00  0.00           O  
HETATM   33  O   UNL     1       7.809  -1.812  -1.068  1.00  0.00           O  
HETATM   34  O   UNL     1       8.795   0.748  -0.260  1.00  0.00           O  
HETATM   35  O   UNL     1       5.923   3.508  -0.259  1.00  0.00           O  
HETATM   36  O   UNL     1       8.047   3.359   0.330  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.876  -3.029   0.029  1.00  0.00           O  
HETATM   38 CL   UNL     1      -8.897   2.903   0.415  1.00  0.00          Cl  
HETATM   39  H   UNL     1      -3.793   1.329  -0.766  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.205   2.813   0.367  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.334   2.381  -1.124  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.041   2.877  -1.203  1.00  0.00           H  
HETATM   43  H   UNL     1       0.797   1.376  -0.271  1.00  0.00           H  
HETATM   44  H   UNL     1       1.354  -1.569  -0.857  1.00  0.00           H  
HETATM   45  H   UNL     1       1.192  -0.272  -2.065  1.00  0.00           H  
HETATM   46  H   UNL     1       3.580  -0.756  -1.573  1.00  0.00           H  
HETATM   47  H   UNL     1       3.139   0.897  -1.082  1.00  0.00           H  
HETATM   48  H   UNL     1       2.809   1.409   1.252  1.00  0.00           H  
HETATM   49  H   UNL     1       3.008   0.132   2.475  1.00  0.00           H  
HETATM   50  H   UNL     1       0.608   0.636   2.075  1.00  0.00           H  
HETATM   51  H   UNL     1       1.008  -1.031   1.596  1.00  0.00           H  
HETATM   52  H   UNL     1       5.132  -0.485   1.694  1.00  0.00           H  
HETATM   53  H   UNL     1       6.888   1.185   1.524  1.00  0.00           H  
HETATM   54  H   UNL     1       7.129   0.711  -1.482  1.00  0.00           H  
HETATM   55  H   UNL     1       7.424  -1.212   0.872  1.00  0.00           H  
HETATM   56  H   UNL     1       5.289  -1.038  -1.304  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.419  -2.141   0.187  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.958  -3.719  -0.307  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.375  -4.249   2.345  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.702  -4.712   1.951  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.147  -2.992   2.056  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.574  -5.376  -1.197  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.535  -6.104   0.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.207  -5.641   0.445  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.044   2.961   0.724  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.037   0.753  -0.410  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.567  -0.792  -0.876  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.050  -2.010  -0.753  1.00  0.00           H  
HETATM   69  H   UNL     1       5.741  -3.233  -0.476  1.00  0.00           H  
HETATM   70  H   UNL     1       8.769  -1.704  -1.042  1.00  0.00           H  
HETATM   71  H   UNL     1       9.054   1.664  -0.433  1.00  0.00           H  
HETATM   72  H   UNL     1       8.154   4.293   0.102  1.00  0.00           H  
CONECT    1   26   27   27   25                                       
CONECT    2   27   28   30   30                                       
CONECT    3   28    4    4   20                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   40   41   42                                       
CONECT    7    5    5    8   19                                       
CONECT    8    9    7   12   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   29   46   47                                       
CONECT   11   12   29   48   49                                       
CONECT   12   11    8   50   51                                       
CONECT   13   29   31   17   52                                       
CONECT   14   31   15   18   53                                       
CONECT   15   16   34   14   54                                       
CONECT   16   17   33   15   55                                       
CONECT   17   32   16   13   56                                       
CONECT   18   14   35   35   36                                       
CONECT   19    7   20   20   57                                       
CONECT   20   19   19   37    3                                       
CONECT   21   37   22   23   58                                       
CONECT   22   21   59   60   61                                       
CONECT   23   21   62   63   64                                       
CONECT   24   30   25   25   65                                       
CONECT   25   24   24   38    1                                       
CONECT   26    1   66   67                                            
CONECT   27    1    1    2                                            
CONECT   28    3    2   68                                            
CONECT   29   10   11   13                                            
CONECT   30    2    2   24                                            
CONECT   31   13   14                                                 
CONECT   32   17   69                                                 
CONECT   33   16   70                                                 
CONECT   34   15   71                                                 
CONECT   35   18   18                                                 
CONECT   36   18   72                                                 
CONECT   37   20   21                                                 
CONECT   38   25                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
