COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.151   2.267   0.113  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.720   1.616   1.230  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.443   1.732   2.390  1.00  0.00           N  
HETATM    4  N   UNL     1      -6.631   0.880   1.228  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.894   0.738   0.120  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.284   1.382  -1.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.458   2.171  -1.044  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.836   2.749  -2.049  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.370   1.069  -2.010  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.463   0.291  -1.496  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.745   0.058  -0.181  1.00  0.00           N  
HETATM   12  P   UNL     1       1.618  -2.002  -0.628  1.00  0.00           P  
HETATM   13  P   UNL     1       4.012  -0.255  -0.622  1.00  0.00           P  
HETATM   14  P   UNL     1       6.186   1.699  -0.058  1.00  0.00           P  
HETATM   15  C   UNL     1      -3.960  -0.768   0.740  1.00  0.00           C  
HETATM   16  O   UNL     1       1.451  -1.830  -2.089  1.00  0.00           O  
HETATM   17  O   UNL     1       3.765   0.397  -1.927  1.00  0.00           O  
HETATM   18 CL   UNL     1       3.405   2.286   0.771  1.00  0.00          Cl  
HETATM   19  O   UNL     1       6.733   2.791   0.992  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.543  -2.194   0.790  1.00  0.00           C  
HETATM   21  O   UNL     1       2.205  -3.470  -0.324  1.00  0.00           O  
HETATM   22  O   UNL     1       5.108  -1.421  -0.804  1.00  0.00           O  
HETATM   23 CL   UNL     1       4.933   0.186   2.157  1.00  0.00          Cl  
HETATM   24  O   UNL     1       7.281   0.534  -0.240  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.366  -3.100   0.352  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.313  -4.286   1.148  1.00  0.00           O  
HETATM   27  O   UNL     1       2.640  -0.890  -0.070  1.00  0.00           O  
HETATM   28  C   UNL     1       4.632   0.980   0.567  1.00  0.00           C  
HETATM   29  O   UNL     1       5.938   2.352  -1.363  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.139  -2.194   0.627  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.607  -0.876   0.268  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.958  -2.605  -0.255  1.00  0.00           C  
HETATM   33  O   UNL     1       0.191  -1.833   0.098  1.00  0.00           O  
HETATM   34  H   UNL     1      -8.961   2.799   0.147  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.250   2.271   2.407  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.149   1.275   3.193  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.614  -0.111  -2.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.974  -0.327   1.737  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.858  -2.441   1.804  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.377  -2.290   0.096  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.439  -3.347  -0.707  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.101  -4.842   1.079  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.863  -2.230   1.681  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.745  -3.663  -0.107  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.207  -2.427  -1.301  1.00  0.00           H  
HETATM   46  H   UNL     1       7.559   3.215   0.724  1.00  0.00           H  
HETATM   47  H   UNL     1       2.340  -3.653   0.615  1.00  0.00           H  
HETATM   48  H   UNL     1       5.320  -1.892   0.013  1.00  0.00           H  
HETATM   49  H   UNL     1       7.493   0.062   0.577  1.00  0.00           H  
CONECT    1    2    7   34                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   35   36                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    1    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   37                                       
CONECT   11    5   10   15                                            
CONECT   12   16   16   21   27                                       
CONECT   12   33                                                      
CONECT   13   17   17   22   27                                       
CONECT   13   28                                                      
CONECT   14   19   24   28   29                                       
CONECT   14   29                                                      
CONECT   15   11   20   31   38                                       
CONECT   16   12   12                                                 
CONECT   17   13   13                                                 
CONECT   18   28                                                      
CONECT   19   14   46                                                 
CONECT   20   15   25   39   40                                       
CONECT   21   12   47                                                 
CONECT   22   13   48                                                 
CONECT   23   28                                                      
CONECT   24   14   49                                                 
CONECT   25   20   26   30   41                                       
CONECT   26   25   42                                                 
CONECT   27   12   13                                                 
CONECT   28   13   14   18   23                                       
CONECT   29   14   14                                                 
CONECT   30   25   31   32   43                                       
CONECT   31   15   30                                                 
CONECT   32   30   33   44   45                                       
CONECT   33   12   32                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   30                                                      
CONECT   44   32                                                      
CONECT   45   32                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
