COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.170   1.590  -1.191  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.619  -0.753  -0.867  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.246  -0.806  -0.998  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.518   0.365  -1.161  1.00  0.00           C  
HETATM    5  C   UNL     1       0.602  -0.638  -0.591  1.00  0.00           C  
HETATM    6  C   UNL     1       0.617  -2.457   0.823  1.00  0.00           C  
HETATM    7  C   UNL     1       1.999  -2.477   0.771  1.00  0.00           C  
HETATM    8  C   UNL     1       2.649  -1.525  -0.014  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.737  -0.436   1.888  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.139   0.150   0.603  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.755  -0.721  -0.517  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.229  -0.817  -0.584  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.573   1.496   0.438  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.047   1.400   0.370  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.663   0.528  -0.749  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.271   0.473  -0.887  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.543   1.644  -1.055  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.124   0.310  -1.294  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.043  -1.535   0.139  1.00  0.00           N  
HETATM   20 CL   UNL     1       2.904  -3.667   1.654  1.00  0.00          Cl  
HETATM   21  O   UNL     1       4.002  -1.508  -0.095  1.00  0.00           O  
HETATM   22  C   UNL     1       4.588  -0.496  -0.789  1.00  0.00           C  
HETATM   23  C   UNL     1       5.018  -0.705  -2.090  1.00  0.00           C  
HETATM   24  C   UNL     1       5.613   0.325  -2.794  1.00  0.00           C  
HETATM   25  C   UNL     1       5.780   1.565  -2.205  1.00  0.00           C  
HETATM   26  C   UNL     1       5.353   1.781  -0.909  1.00  0.00           C  
HETATM   27  C   UNL     1       4.751   0.754  -0.197  1.00  0.00           C  
HETATM   28  N   UNL     1       4.318   0.971   1.117  1.00  0.00           N  
HETATM   29  C   UNL     1       3.842   2.178   1.479  1.00  0.00           C  
HETATM   30  C   UNL     1       3.507   2.445   2.886  1.00  0.00           C  
HETATM   31  C   UNL     1       3.037   3.637   3.243  1.00  0.00           C  
HETATM   32  O   UNL     1       3.689   3.048   0.642  1.00  0.00           O  
HETATM   33  N   UNL     1       1.925  -0.627  -0.671  1.00  0.00           N  
HETATM   34  H   UNL     1      -1.604   2.500  -1.318  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.186  -1.663  -0.741  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.739  -1.760  -0.982  1.00  0.00           H  
HETATM   37  H   UNL     1       0.082  -3.185   1.416  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.655  -0.569   1.904  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.033   0.228   2.699  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.224  -1.403   2.015  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.176  -1.715  -0.365  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.135  -0.303  -1.449  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.852  -1.260   0.337  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.941  -1.440  -1.432  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.951   1.939  -0.484  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.861   2.118   1.285  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.626   2.394   0.218  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.668   0.982   1.303  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.051   2.597  -1.079  1.00  0.00           H  
HETATM   50  H   UNL     1       0.332   0.936  -1.878  1.00  0.00           H  
HETATM   51  H   UNL     1       4.890  -1.672  -2.553  1.00  0.00           H  
HETATM   52  H   UNL     1       5.948   0.161  -3.808  1.00  0.00           H  
HETATM   53  H   UNL     1       6.246   2.367  -2.760  1.00  0.00           H  
HETATM   54  H   UNL     1       5.485   2.751  -0.451  1.00  0.00           H  
HETATM   55  H   UNL     1       4.360   0.251   1.766  1.00  0.00           H  
HETATM   56  H   UNL     1       3.642   1.673   3.629  1.00  0.00           H  
HETATM   57  H   UNL     1       2.902   4.409   2.500  1.00  0.00           H  
HETATM   58  H   UNL     1       2.791   3.833   4.277  1.00  0.00           H  
CONECT    1   17    4    4   34                                       
CONECT    2   16    3    3   35                                       
CONECT    3    2    2    4   36                                       
CONECT    4    1    1    3   18                                       
CONECT    5   18   33   33   19                                       
CONECT    6   19   19    7   37                                       
CONECT    7    8    8    6   20                                       
CONECT    8   33   21    7    7                                       
CONECT    9   10   38   39   40                                       
CONECT   10    9   13   11                                            
CONECT   11   10   12   41   42                                       
CONECT   12   11   15   43   44                                       
CONECT   13   10   14   45   46                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   12   16                                            
CONECT   16   15   17   17    2                                       
CONECT   17   16   16    1   49                                       
CONECT   18    4    5   50                                            
CONECT   19    5    6    6                                            
CONECT   20    7                                                      
CONECT   21   22    8                                                 
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   51                                       
CONECT   24   25   23   23   52                                       
CONECT   25   26   26   24   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   22   22                                       
CONECT   28   29   27   55                                            
CONECT   29   32   32   30   28                                       
CONECT   30   29   31   31   56                                       
CONECT   31   30   30   57   58                                       
CONECT   32   29   29                                                 
CONECT   33    5    5    8                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
