COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.672   1.171   1.165  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.897   2.314  -0.499  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.453   1.830  -1.768  1.00  0.00           O  
HETATM    4 CL   UNL     1      -2.132  -3.197  -2.025  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -3.005  -2.126  -0.973  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.242  -2.497  -0.480  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.937  -1.643   0.358  1.00  0.00           C  
HETATM    8 CL   UNL     1      -6.490  -2.108   0.978  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -4.393  -0.418   0.702  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.459  -0.904  -0.624  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.156  -0.048   0.209  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.564   1.286   0.584  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.145   1.161   0.702  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.560   2.058   1.648  1.00  0.00           C  
HETATM   15  C   UNL     1       0.868   2.399   1.214  1.00  0.00           C  
HETATM   16  C   UNL     1       0.839   3.034  -0.153  1.00  0.00           C  
HETATM   17  C   UNL     1       0.930   4.408  -0.278  1.00  0.00           C  
HETATM   18  C   UNL     1       0.903   4.990  -1.531  1.00  0.00           C  
HETATM   19  C   UNL     1       0.785   4.200  -2.659  1.00  0.00           C  
HETATM   20  C   UNL     1       0.694   2.826  -2.533  1.00  0.00           C  
HETATM   21  C   UNL     1       0.726   2.243  -1.281  1.00  0.00           C  
HETATM   22  C   UNL     1       1.760   0.541   2.489  1.00  0.00           C  
HETATM   23  C   UNL     1       0.359   0.146   2.962  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.524   1.395   3.028  1.00  0.00           C  
HETATM   25  C   UNL     1       3.009   1.439   0.619  1.00  0.00           C  
HETATM   26  C   UNL     1       3.712   0.133   0.350  1.00  0.00           C  
HETATM   27  N   UNL     1       3.736  -0.505  -0.851  1.00  0.00           N  
HETATM   28  C   UNL     1       4.478  -1.658  -0.689  1.00  0.00           C  
HETATM   29  C   UNL     1       4.888  -1.669   0.655  1.00  0.00           C  
HETATM   30  N   UNL     1       4.390  -0.544   1.230  1.00  0.00           N  
HETATM   31  C   UNL     1       4.849  -2.696  -1.533  1.00  0.00           C  
HETATM   32  C   UNL     1       5.617  -3.731  -1.045  1.00  0.00           C  
HETATM   33  C   UNL     1       6.022  -3.742   0.282  1.00  0.00           C  
HETATM   34  C   UNL     1       5.666  -2.729   1.127  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.395   3.255  -0.273  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.974   2.475  -0.528  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.632   2.433  -2.503  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.667  -3.453  -0.749  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.935   0.249   1.356  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.491  -0.616  -1.005  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.980   1.613   1.537  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.153   2.971   1.699  1.00  0.00           H  
HETATM   43  H   UNL     1       1.309   3.094   1.928  1.00  0.00           H  
HETATM   44  H   UNL     1       1.022   5.025   0.603  1.00  0.00           H  
HETATM   45  H   UNL     1       0.974   6.064  -1.629  1.00  0.00           H  
HETATM   46  H   UNL     1       0.763   4.655  -3.638  1.00  0.00           H  
HETATM   47  H   UNL     1       0.601   2.208  -3.414  1.00  0.00           H  
HETATM   48  H   UNL     1       0.655   1.170  -1.183  1.00  0.00           H  
HETATM   49  H   UNL     1       2.387  -0.348   2.427  1.00  0.00           H  
HETATM   50  H   UNL     1       2.197   1.245   3.197  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.073  -0.569   2.261  1.00  0.00           H  
HETATM   52  H   UNL     1       0.424  -0.308   3.951  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.113   2.093   3.757  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.534   1.112   3.322  1.00  0.00           H  
HETATM   55  H   UNL     1       2.916   2.000  -0.310  1.00  0.00           H  
HETATM   56  H   UNL     1       3.586   2.020   1.339  1.00  0.00           H  
HETATM   57  H   UNL     1       3.310  -0.206  -1.670  1.00  0.00           H  
HETATM   58  H   UNL     1       4.536  -2.693  -2.566  1.00  0.00           H  
HETATM   59  H   UNL     1       5.907  -4.540  -1.700  1.00  0.00           H  
HETATM   60  H   UNL     1       6.624  -4.559   0.651  1.00  0.00           H  
HETATM   61  H   UNL     1       5.987  -2.747   2.159  1.00  0.00           H  
CONECT    1   15   22   25                                            
CONECT    2   12    3   35   36                                       
CONECT    3    2   37                                                 
CONECT    4    5                                                      
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   38                                       
CONECT    7    8    6    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7   11   39                                       
CONECT   10    5   11   11   40                                       
CONECT   11   10   10    9   12                                       
CONECT   12   11    2   13   41                                       
CONECT   13   12   14                                                 
CONECT   14   13   24   15   42                                       
CONECT   15   14   16    1   43                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   44                                       
CONECT   18   19   19   17   45                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   16   48                                       
CONECT   22   23    1   49   50                                       
CONECT   23   24   22   51   52                                       
CONECT   24   14   23   53   54                                       
CONECT   25    1   26   55   56                                       
CONECT   26   25   30   30   27                                       
CONECT   27   26   28   57                                            
CONECT   28   29   27   31   31                                       
CONECT   29   30   34   34   28                                       
CONECT   30   26   26   29                                            
CONECT   31   28   28   32   58                                       
CONECT   32   33   33   31   59                                       
CONECT   33   34   32   32   60                                       
CONECT   34   29   29   33   61                                       
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
