COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.386  -0.227  -1.181  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.477   0.784  -0.373  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.262   1.533   0.505  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.635   1.346   0.486  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.003   0.947  -0.390  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.065  -0.011  -0.818  1.00  0.00           C  
HETATM    7  C   UNL     1       1.170   0.588  -0.652  1.00  0.00           C  
HETATM    8  C   UNL     1       0.778  -3.908   1.238  1.00  0.00           C  
HETATM    9  C   UNL     1       0.797  -3.009   0.188  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.368  -2.373  -0.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.552  -2.635   0.464  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.571  -3.534   1.515  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.406  -4.170   1.902  1.00  0.00           C  
HETATM   14  C   UNL     1       2.482  -0.002  -0.956  1.00  0.00           C  
HETATM   15  C   UNL     1       4.862   0.096  -1.124  1.00  0.00           C  
HETATM   16  C   UNL     1       6.028   0.967  -0.651  1.00  0.00           C  
HETATM   17  C   UNL     1       6.674  -0.299   1.309  1.00  0.00           C  
HETATM   18  C   UNL     1       6.823   2.117   1.325  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.347  -1.394  -1.345  1.00  0.00           C  
HETATM   20  C   UNL     1       1.962   2.823   0.180  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.157   0.470  -0.359  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.071  -0.079  -1.195  1.00  0.00           N  
HETATM   23  N   UNL     1       0.930   1.837  -0.149  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.334   2.018  -0.014  1.00  0.00           N  
HETATM   25  N   UNL     1       6.085   0.953   0.817  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.970  -1.137  -2.045  1.00  0.00           N  
HETATM   27  O   UNL     1       3.609   0.688  -0.692  1.00  0.00           O  
HETATM   28  O   UNL     1       2.550  -1.113  -1.446  1.00  0.00           O  
HETATM   29 CL   UNL     1      -5.659   2.251   1.556  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -2.811   2.241   1.184  1.00  0.00           H  
HETATM   31  H   UNL     1       1.687  -4.408   1.537  1.00  0.00           H  
HETATM   32  H   UNL     1       1.722  -2.804  -0.331  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.462  -2.139   0.162  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.496  -3.739   2.034  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.422  -4.875   2.719  1.00  0.00           H  
HETATM   36  H   UNL     1       4.876   0.030  -2.212  1.00  0.00           H  
HETATM   37  H   UNL     1       4.958  -0.903  -0.698  1.00  0.00           H  
HETATM   38  H   UNL     1       6.961   0.574  -1.055  1.00  0.00           H  
HETATM   39  H   UNL     1       5.883   1.989  -1.000  1.00  0.00           H  
HETATM   40  H   UNL     1       6.705  -0.283   2.398  1.00  0.00           H  
HETATM   41  H   UNL     1       6.068  -1.142   0.975  1.00  0.00           H  
HETATM   42  H   UNL     1       7.687  -0.403   0.919  1.00  0.00           H  
HETATM   43  H   UNL     1       7.836   2.109   0.924  1.00  0.00           H  
HETATM   44  H   UNL     1       6.317   3.032   1.015  1.00  0.00           H  
HETATM   45  H   UNL     1       6.863   2.075   2.414  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.315  -1.402  -1.847  1.00  0.00           H  
HETATM   47  H   UNL     1       0.431  -1.679  -2.052  1.00  0.00           H  
HETATM   48  H   UNL     1       2.242   3.370  -0.721  1.00  0.00           H  
HETATM   49  H   UNL     1       1.574   3.521   0.922  1.00  0.00           H  
HETATM   50  H   UNL     1       2.837   2.314   0.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.933  -1.259  -2.043  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.418  -1.654  -2.652  1.00  0.00           H  
CONECT    1   26   22   22   21                                       
CONECT    2   22    5    3    3                                       
CONECT    3    2    2    4   30                                       
CONECT    4   21   21    3   29                                       
CONECT    5    6    2   24   24                                       
CONECT    6   19    7    7    5                                       
CONECT    7   14    6    6   23                                       
CONECT    8    9    9   13   31                                       
CONECT    9   10    8    8   32                                       
CONECT   10   19   11   11    9                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12    8   35                                       
CONECT   14   27   28   28    7                                       
CONECT   15   16   27   36   37                                       
CONECT   16   25   15   38   39                                       
CONECT   17   25   40   41   42                                       
CONECT   18   25   43   44   45                                       
CONECT   19    6   10   46   47                                       
CONECT   20   23   48   49   50                                       
CONECT   21    1    4    4                                            
CONECT   22    1    1    2                                            
CONECT   23    7   20   24                                            
CONECT   24    5    5   23                                            
CONECT   25   17   18   16                                            
CONECT   26    1   51   52                                            
CONECT   27   15   14                                                 
CONECT   28   14   14                                                 
CONECT   29    4                                                      
CONECT   30    3                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
