COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.730  -1.423  -0.638  1.00  0.00           C  
HETATM    2  C   UNL     1       3.254  -0.408  -1.621  1.00  0.00           C  
HETATM    3  O   UNL     1       3.502  -2.125  -0.022  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.413  -2.609   0.674  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.643  -1.888   0.263  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.407  -0.735   0.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.768  -0.795   0.472  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.353  -2.030   0.807  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.567  -3.183   0.864  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.231  -3.109   0.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.776  -1.759   1.031  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.962  -0.445   0.830  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.604   1.512   0.217  1.00  0.00           C  
HETATM   14  C   UNL     1       5.235   1.390  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       4.305   2.364  -0.366  1.00  0.00           C  
HETATM   16  C   UNL     1       3.977   3.366   0.524  1.00  0.00           C  
HETATM   17  C   UNL     1       4.569   3.407   1.774  1.00  0.00           C  
HETATM   18  C   UNL     1       5.492   2.445   2.140  1.00  0.00           C  
HETATM   19  C   UNL     1       5.829   1.436   1.259  1.00  0.00           C  
HETATM   20  N   UNL     1       4.718  -0.466  -1.648  1.00  0.00           N  
HETATM   21  N   UNL     1       5.524  -1.332  -2.407  1.00  0.00           N  
HETATM   22  N   UNL     1       6.749  -1.042  -2.129  1.00  0.00           N  
HETATM   23  N   UNL     1       6.800  -0.085  -1.275  1.00  0.00           N  
HETATM   24  C   UNL     1       5.586   0.309  -0.951  1.00  0.00           C  
HETATM   25  N   UNL     1       1.402  -1.546  -0.441  1.00  0.00           N  
HETATM   26  N   UNL     1       0.915  -2.486   0.477  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.836  -3.425   1.471  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.271  -1.829  -0.011  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.773   0.150   0.495  1.00  0.00           N  
HETATM   30 CL   UNL     1       6.988   0.229   1.720  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -5.232   1.922  -1.058  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.071   3.268  -1.329  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.281   4.205  -0.335  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.651   3.800   0.935  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.813   2.457   1.213  1.00  0.00           C  
HETATM   36 CL   UNL     1      -4.968   0.746  -2.307  1.00  0.00          Cl  
HETATM   37  H   UNL     1       2.864  -0.628  -2.615  1.00  0.00           H  
HETATM   38  H   UNL     1       2.936   0.590  -1.318  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.946   0.207  -0.058  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.014  -4.131   1.121  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.624  -4.001   0.634  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.531  -2.480   1.307  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.909   0.068   0.919  1.00  0.00           H  
HETATM   44  H   UNL     1       3.842   2.334  -1.341  1.00  0.00           H  
HETATM   45  H   UNL     1       3.257   4.121   0.244  1.00  0.00           H  
HETATM   46  H   UNL     1       4.309   4.194   2.466  1.00  0.00           H  
HETATM   47  H   UNL     1       5.951   2.482   3.117  1.00  0.00           H  
HETATM   48  H   UNL     1       0.784  -0.984  -0.934  1.00  0.00           H  
HETATM   49  H   UNL     1       1.533  -3.048   0.970  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.939  -1.225  -0.695  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.782   3.588  -2.320  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.155   5.256  -0.549  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.813   4.534   1.709  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.106   2.142   2.203  1.00  0.00           H  
CONECT    1    2   25    3    3                                       
CONECT    2   20    1   37   38                                       
CONECT    3    1    1                                                 
CONECT    4   28   27   27   26                                       
CONECT    5   10   10    6   28                                       
CONECT    6    7    7    5   39                                       
CONECT    7    8   29    6    6                                       
CONECT    8   11    9    9    7                                       
CONECT    9    8    8   10   40                                       
CONECT   10    9    5    5   41                                       
CONECT   11   12   12    8   42                                       
CONECT   12   11   11   29   43                                       
CONECT   13   29   31   31   35                                       
CONECT   14   19   24   15   15                                       
CONECT   15   14   14   16   44                                       
CONECT   16   17   17   15   45                                       
CONECT   17   18   16   16   46                                       
CONECT   18   19   19   17   47                                       
CONECT   19   30   18   18   14                                       
CONECT   20    2   21   24                                            
CONECT   21   20   22   22                                            
CONECT   22   21   21   23                                            
CONECT   23   24   24   22                                            
CONECT   24   20   14   23   23                                       
CONECT   25   26    1   48                                            
CONECT   26    4   25   49                                            
CONECT   27    4    4                                                 
CONECT   28    5    4   50                                            
CONECT   29   12    7   13                                            
CONECT   30   19                                                      
CONECT   31   36   13   13   32                                       
CONECT   32   31   33   33   51                                       
CONECT   33   32   32   34   52                                       
CONECT   34   35   35   33   53                                       
CONECT   35   13   34   34   54                                       
CONECT   36   31                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53   34                                                      
CONECT   54   35                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
