COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.754  -0.233   0.475  1.00  0.00           C  
HETATM    2  C   UNL     1       3.923  -0.786  -0.299  1.00  0.00           C  
HETATM    3  C   UNL     1       4.854   0.020  -0.744  1.00  0.00           C  
HETATM    4  N   UNL     1       0.770  -4.985   1.880  1.00  0.00           N  
HETATM    5  C   UNL     1       4.850   1.472  -0.340  1.00  0.00           C  
HETATM    6  C   UNL     1       0.799  -0.043  -1.006  1.00  0.00           C  
HETATM    7  N   UNL     1       1.209  -2.908   0.959  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.103  -3.147  -1.200  1.00  0.00           O  
HETATM    9  C   UNL     1       0.910  -1.878   0.144  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.252  -1.934  -0.632  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.719  -4.061   0.302  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -3.958   1.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.081  -3.065  -0.539  1.00  0.00           C  
HETATM   14 CL   UNL     1      -7.658   1.656   1.620  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -6.168   1.729   0.733  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.576   0.566   0.291  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.582   2.960   0.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.399   3.038  -0.236  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.782   1.876  -0.687  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.378   0.629  -0.423  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.495  -0.376  -1.020  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.627   1.632  -1.396  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.471   0.286  -1.582  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.323  -0.359  -2.315  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.291  -0.757  -1.353  1.00  0.00           N  
HETATM   26  N   UNL     1       1.503  -0.703  -0.126  1.00  0.00           N1+
HETATM   27  P   UNL     1       6.474   1.912   0.363  1.00  0.00           P  
HETATM   28  O   UNL     1       7.539   1.572  -0.607  1.00  0.00           O  
HETATM   29  O   UNL     1       6.514   3.491   0.673  1.00  0.00           O  
HETATM   30  O   UNL     1       6.708   1.091   1.727  1.00  0.00           O  
HETATM   31  H   UNL     1       2.810  -0.572   1.509  1.00  0.00           H  
HETATM   32  H   UNL     1       2.783   0.857   0.448  1.00  0.00           H  
HETATM   33  H   UNL     1       3.992  -1.847  -0.486  1.00  0.00           H  
HETATM   34  H   UNL     1       5.625  -0.356  -1.401  1.00  0.00           H  
HETATM   35  H   UNL     1       1.581  -4.927   2.409  1.00  0.00           H  
HETATM   36  H   UNL     1       0.202  -5.768   1.947  1.00  0.00           H  
HETATM   37  H   UNL     1       4.653   2.092  -1.215  1.00  0.00           H  
HETATM   38  H   UNL     1       4.074   1.640   0.406  1.00  0.00           H  
HETATM   39  H   UNL     1       1.054   0.930  -1.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.275  -4.851   0.382  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.036  -0.389   0.496  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.057   3.865   0.815  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.953   4.000  -0.437  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.641  -1.446  -1.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.013   2.313  -1.713  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.681  -1.240  -2.848  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.901   0.351  -3.026  1.00  0.00           H  
HETATM   48  H   UNL     1       7.351   3.797   1.049  1.00  0.00           H  
HETATM   49  H   UNL     1       6.045   1.265   2.410  1.00  0.00           H  
CONECT    1    2   26   31   32                                       
CONECT    2    3    3    1   33                                       
CONECT    3    2    2    5   34                                       
CONECT    4   12   35   36                                            
CONECT    5    3   27   37   38                                       
CONECT    6   26   26   25   39                                       
CONECT    7   12   12    9                                            
CONECT    8   13   13                                                 
CONECT    9    7   26   10   10                                       
CONECT   10    9    9   13   25                                       
CONECT   11   12   13   40                                            
CONECT   12    4    7    7   11                                       
CONECT   13   11   10    8    8                                       
CONECT   14   15                                                      
CONECT   15   17   17   16   14                                       
CONECT   16   20   20   15   41                                       
CONECT   17   18   15   15   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   16   16                                       
CONECT   21   23   23   20   44                                       
CONECT   22   23   19   45                                            
CONECT   23   24   22   21   21                                       
CONECT   24   25   23   46   47                                       
CONECT   25    6   10   24                                            
CONECT   26    1    9    6    6                                       
CONECT   27    5   28   28   29                                       
CONECT   27   30                                                      
CONECT   28   27   27                                                 
CONECT   29   27   48                                                 
CONECT   30   27   49                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
