COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.078  -1.184  -0.350  1.00  0.00           C  
HETATM    2  C   UNL     1       4.840  -2.115   1.865  1.00  0.00           C  
HETATM    3  C   UNL     1       6.167  -2.479   1.874  1.00  0.00           C  
HETATM    4  C   UNL     1       6.972  -2.204   0.773  1.00  0.00           C  
HETATM    5  C   UNL     1       7.290  -1.270  -1.499  1.00  0.00           C  
HETATM    6  C   UNL     1       8.600  -1.654  -1.437  1.00  0.00           C  
HETATM    7  C   UNL     1       9.091  -2.301  -0.293  1.00  0.00           C  
HETATM    8  C   UNL     1       4.288  -1.467   0.756  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.213  -4.074  -1.977  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.303  -1.469   0.884  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.017   4.851   0.048  1.00  0.00           N  
HETATM   12  C   UNL     1       1.139   5.235   0.872  1.00  0.00           C  
HETATM   13  C   UNL     1       1.973   6.258   0.093  1.00  0.00           C  
HETATM   14  N   UNL     1       1.110   7.371  -0.325  1.00  0.00           N  
HETATM   15  C   UNL     1       0.061   6.915  -1.246  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.852   5.919  -0.522  1.00  0.00           C  
HETATM   17  C   UNL     1       1.042   0.041   0.397  1.00  0.00           C  
HETATM   18  N   UNL     1       0.696  -1.063   1.107  1.00  0.00           N  
HETATM   19  C   UNL     1       1.840  -1.774   1.340  1.00  0.00           C  
HETATM   20  C   UNL     1       2.856  -1.079   0.762  1.00  0.00           C  
HETATM   21  N   UNL     1       2.330   0.026   0.195  1.00  0.00           N  
HETATM   22  C   UNL     1       6.424  -1.552  -0.347  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.972  -3.273   2.205  1.00  0.00          Cl  
HETATM   24  N   UNL     1       8.306  -2.562   0.766  1.00  0.00           N  
HETATM   25  O   UNL     1      10.263  -2.635  -0.258  1.00  0.00           O  
HETATM   26  O   UNL     1       6.803  -0.644  -2.596  1.00  0.00           O  
HETATM   27  C   UNL     1       0.092   1.107  -0.084  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.849  -2.188  -0.205  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.467  -0.571   1.530  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.170  -0.391   1.094  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.697  -1.116  -0.004  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.551  -2.017  -0.660  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.091  -2.745  -1.762  1.00  0.00           N  
HETATM   34 CL   UNL     1      -8.054   0.330   2.892  1.00  0.00          Cl  
HETATM   35  N   UNL     1      -5.640  -4.336  -3.122  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.165  -3.265  -3.647  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.403  -2.252  -2.885  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.317  -0.929  -0.474  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.470  -0.138   0.217  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.096   0.048  -0.251  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.717  -0.511  -1.264  1.00  0.00           O  
HETATM   42  N   UNL     1      -1.250   0.837   0.439  1.00  0.00           N  
HETATM   43  C   UNL     1       0.567   2.475   0.412  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.301   3.553  -0.183  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.256   3.254  -0.869  1.00  0.00           O  
HETATM   46  C   UNL     1       1.902   8.454  -0.924  1.00  0.00           C  
HETATM   47  H   UNL     1       4.652  -0.688  -1.210  1.00  0.00           H  
HETATM   48  H   UNL     1       4.220  -2.331   2.723  1.00  0.00           H  
HETATM   49  H   UNL     1       6.584  -2.979   2.736  1.00  0.00           H  
HETATM   50  H   UNL     1       9.258  -1.459  -2.270  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.690  -4.787  -1.321  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.316  -1.604   1.232  1.00  0.00           H  
HETATM   53  H   UNL     1       0.792   5.680   1.805  1.00  0.00           H  
HETATM   54  H   UNL     1       1.743   4.354   1.089  1.00  0.00           H  
HETATM   55  H   UNL     1       2.772   6.637   0.731  1.00  0.00           H  
HETATM   56  H   UNL     1       2.404   5.781  -0.787  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.527   7.770  -1.580  1.00  0.00           H  
HETATM   58  H   UNL     1       0.519   6.429  -2.108  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.558   5.492  -1.234  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.394   6.426   0.276  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.199  -1.303   1.396  1.00  0.00           H  
HETATM   62  H   UNL     1       8.682  -3.011   1.539  1.00  0.00           H  
HETATM   63  H   UNL     1       7.457  -0.508  -3.295  1.00  0.00           H  
HETATM   64  H   UNL     1       0.065   1.105  -1.173  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.507  -2.886  -0.702  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.522   0.310   1.599  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.981  -1.424  -1.373  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.805   0.357   1.116  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.529   1.227   1.282  1.00  0.00           H  
HETATM   70  H   UNL     1       0.499   2.511   1.499  1.00  0.00           H  
HETATM   71  H   UNL     1       1.602   2.632   0.107  1.00  0.00           H  
HETATM   72  H   UNL     1       2.433   8.076  -1.798  1.00  0.00           H  
HETATM   73  H   UNL     1       1.239   9.265  -1.225  1.00  0.00           H  
HETATM   74  H   UNL     1       2.622   8.825  -0.194  1.00  0.00           H  
CONECT    1    8    8   22   47                                       
CONECT    2    8    3    3   48                                       
CONECT    3    2    2    4   49                                       
CONECT    4   22   22    3   24                                       
CONECT    5   26   22    6    6                                       
CONECT    6    5    5    7   50                                       
CONECT    7    6   24   25   25                                       
CONECT    8   20    1    1    2                                       
CONECT    9   35   35   33   51                                       
CONECT   10   28   29   29   52                                       
CONECT   11   12   16   44                                            
CONECT   12   13   11   53   54                                       
CONECT   13   14   12   55   56                                       
CONECT   14   46   13   15                                            
CONECT   15   14   16   57   58                                       
CONECT   16   15   11   59   60                                       
CONECT   17   18   27   21   21                                       
CONECT   18   19   17   61                                            
CONECT   19   23   18   20   20                                       
CONECT   20   19   19   21    8                                       
CONECT   21   17   17   20                                            
CONECT   22    1    5    4    4                                       
CONECT   23   19                                                      
CONECT   24    4    7   62                                            
CONECT   25    7    7                                                 
CONECT   26    5   63                                                 
CONECT   27   43   42   17   64                                       
CONECT   28   32   32   10   65                                       
CONECT   29   10   10   30   34                                       
CONECT   30   31   31   29   66                                       
CONECT   31   32   38   30   30                                       
CONECT   32   33   28   28   31                                       
CONECT   33    9   37   32                                            
CONECT   34   29                                                      
CONECT   35    9    9   36                                            
CONECT   36   35   37   37                                            
CONECT   37   36   36   33                                            
CONECT   38   39   39   31   67                                       
CONECT   39   38   38   40   68                                       
CONECT   40   42   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   27   40   69                                            
CONECT   43   44   27   70   71                                       
CONECT   44   43   11   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   14   72   73   74                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   42                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
CONECT   72   46                                                      
CONECT   73   46                                                      
CONECT   74   46                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
