COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.648   1.875   1.271  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.687   0.615   0.562  1.00  0.00           C  
HETATM    3  C   UNL     1       4.266  -0.287  -0.330  1.00  0.00           C  
HETATM    4  C   UNL     1       5.702  -0.170  -0.681  1.00  0.00           C  
HETATM    5  C   UNL     1       6.081   0.140  -1.985  1.00  0.00           C  
HETATM    6  C   UNL     1       7.419   0.248  -2.306  1.00  0.00           C  
HETATM    7  C   UNL     1       8.384   0.049  -1.334  1.00  0.00           C  
HETATM    8  C   UNL     1       8.014  -0.259  -0.037  1.00  0.00           C  
HETATM    9  C   UNL     1       6.678  -0.363   0.295  1.00  0.00           C  
HETATM   10  C   UNL     1       6.277  -0.698   1.709  1.00  0.00           C  
HETATM   11  C   UNL     1       6.048  -2.206   1.830  1.00  0.00           C  
HETATM   12  C   UNL     1       2.348   0.501   0.884  1.00  0.00           C  
HETATM   13  C   UNL     1       1.582  -0.502   0.320  1.00  0.00           C  
HETATM   14  C   UNL     1       2.150  -1.396  -0.570  1.00  0.00           C  
HETATM   15  C   UNL     1       3.489  -1.299  -0.891  1.00  0.00           C  
HETATM   16  C   UNL     1       0.123  -0.623   0.676  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.677   0.178  -0.260  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.109   0.085   0.057  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.907   0.931  -0.937  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.376   0.835  -0.612  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.194   1.897  -0.379  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.454   1.396  -0.119  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.341   0.000  -0.209  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.048  -0.275  -0.518  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.680   1.975   0.183  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.784   1.177   0.394  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.682  -0.204   0.308  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.473  -0.799   0.008  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.380  -2.152  -0.076  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.575  -2.900   0.158  1.00  0.00           C  
HETATM   31  H   UNL     1       5.329   0.294  -2.745  1.00  0.00           H  
HETATM   32  H   UNL     1       7.714   0.488  -3.316  1.00  0.00           H  
HETATM   33  H   UNL     1       9.430   0.134  -1.589  1.00  0.00           H  
HETATM   34  H   UNL     1       8.771  -0.409   0.718  1.00  0.00           H  
HETATM   35  H   UNL     1       7.068  -0.394   2.393  1.00  0.00           H  
HETATM   36  H   UNL     1       5.357  -0.170   1.960  1.00  0.00           H  
HETATM   37  H   UNL     1       6.968  -2.734   1.579  1.00  0.00           H  
HETATM   38  H   UNL     1       5.758  -2.449   2.852  1.00  0.00           H  
HETATM   39  H   UNL     1       5.256  -2.510   1.145  1.00  0.00           H  
HETATM   40  H   UNL     1       1.900   1.196   1.579  1.00  0.00           H  
HETATM   41  H   UNL     1       1.547  -2.178  -1.008  1.00  0.00           H  
HETATM   42  H   UNL     1       3.931  -1.997  -1.586  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.182  -1.667   0.612  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.034  -0.260   1.691  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.370   1.140  -0.267  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.429  -0.955  -0.011  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.281   0.453   1.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.587   1.970  -0.869  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.734   0.563  -1.948  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.939   2.833  -0.392  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.768   3.049   0.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.736   1.631   0.629  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.555  -0.817   0.476  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.332  -2.613  -0.572  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.362  -3.965   0.060  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.942  -2.694   1.163  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3   12    1                                       
CONECT    3   15    4    2    2                                       
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6   31                                       
CONECT    6    7    7    5   32                                       
CONECT    7    8    6    6   33                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8    4                                       
CONECT   10   11    9   35   36                                       
CONECT   11   10   37   38   39                                       
CONECT   12    2   13   13   40                                       
CONECT   13   14   12   12   16                                       
CONECT   14   15   15   13   41                                       
CONECT   15   14   14    3   42                                       
CONECT   16   13   17   43   44                                       
CONECT   17   16   18   45                                            
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   50                                            
CONECT   22   21   23   23   25                                       
CONECT   23   24   22   22   28                                       
CONECT   24   20   20   23                                            
CONECT   25   22   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   28   28   26   53                                       
CONECT   28   23   29   27   27                                       
CONECT   29   28   30                                                 
CONECT   30   29   54   55   56                                       
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
