COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.043   3.096   0.369  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.868   2.206   1.329  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.852   1.370   1.340  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.946   1.391   0.367  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.088   2.320  -0.678  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.190   3.192  -0.646  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.382   4.127  -1.647  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.047   2.132  -1.524  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.294   1.170  -1.076  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.806   0.680   0.089  1.00  0.00           N  
HETATM   11  P   UNL     1       1.045  -2.224  -0.735  1.00  0.00           P  
HETATM   12  P   UNL     1       3.542  -0.703  -1.222  1.00  0.00           P  
HETATM   13  C   UNL     1       9.302   1.410   2.417  1.00  0.00           C  
HETATM   14  C   UNL     1       8.588   2.273   1.409  1.00  0.00           C  
HETATM   15  C   UNL     1       7.912   1.640   0.220  1.00  0.00           C  
HETATM   16  C   UNL     1       6.554   1.079   0.645  1.00  0.00           C  
HETATM   17  C   UNL     1       5.868   0.436  -0.562  1.00  0.00           C  
HETATM   18  O   UNL     1       8.557   3.472   1.554  1.00  0.00           O  
HETATM   19  O   UNL     1       7.723   2.624  -0.799  1.00  0.00           O  
HETATM   20  O   UNL     1       6.743   0.095   1.664  1.00  0.00           O  
HETATM   21  O   UNL     1       4.552   0.016  -0.194  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.243  -0.405   0.895  1.00  0.00           C  
HETATM   23  O   UNL     1       0.688  -2.192  -2.238  1.00  0.00           O  
HETATM   24  O   UNL     1       3.168   0.283  -2.351  1.00  0.00           O1-
HETATM   25  C   UNL     1      -4.909  -1.757   0.531  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.108  -1.954   1.283  1.00  0.00           O  
HETATM   27  O   UNL     1       1.535  -3.638  -0.353  1.00  0.00           O1-
HETATM   28  O   UNL     1       4.227  -1.948  -1.831  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.821  -2.777   0.949  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.106  -3.309   2.245  1.00  0.00           O  
HETATM   31  O   UNL     1       2.210  -1.153  -0.438  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.521  -1.951   0.979  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.853  -0.615   0.566  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.498  -2.555   0.014  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.259  -1.854   0.134  1.00  0.00           O  
HETATM   36  H   UNL     1      -8.586   2.163   2.135  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.147   4.723  -1.613  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.753   4.187  -2.382  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.395   0.812  -1.556  1.00  0.00           H  
HETATM   40  H   UNL     1      10.344   1.290   2.119  1.00  0.00           H  
HETATM   41  H   UNL     1       9.257   1.884   3.398  1.00  0.00           H  
HETATM   42  H   UNL     1       8.823   0.433   2.464  1.00  0.00           H  
HETATM   43  H   UNL     1       8.535   0.833  -0.165  1.00  0.00           H  
HETATM   44  H   UNL     1       5.931   1.886   1.030  1.00  0.00           H  
HETATM   45  H   UNL     1       5.804   1.162  -1.373  1.00  0.00           H  
HETATM   46  H   UNL     1       6.446  -0.427  -0.892  1.00  0.00           H  
HETATM   47  H   UNL     1       7.177   3.373  -0.526  1.00  0.00           H  
HETATM   48  H   UNL     1       7.289  -0.654   1.391  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.361  -0.193   1.958  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.108  -1.817  -0.539  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.561  -2.786   1.091  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.749  -3.580   0.216  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.943  -3.789   2.297  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.115  -1.935   1.991  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.346  -3.606   0.258  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.867  -2.468  -1.007  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   37   38                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   39                                       
CONECT   10    4    9   22                                            
CONECT   11   23   23   27   31                                       
CONECT   11   35                                                      
CONECT   12   21   24   28   28                                       
CONECT   12   31                                                      
CONECT   13   14   40   41   42                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   16   19   43                                       
CONECT   16   15   17   20   44                                       
CONECT   17   16   21   45   46                                       
CONECT   18   14   14                                                 
CONECT   19   15   47                                                 
CONECT   20   16   48                                                 
CONECT   21   12   17                                                 
CONECT   22   10   25   33   49                                       
CONECT   23   11   11                                                 
CONECT   24   12                                                      
CONECT   25   22   26   29   50                                       
CONECT   26   25   51                                                 
CONECT   27   11                                                      
CONECT   28   12   12                                                 
CONECT   29   25   30   32   52                                       
CONECT   30   29   53                                                 
CONECT   31   11   12                                                 
CONECT   32   29   33   34   54                                       
CONECT   33   22   32                                                 
CONECT   34   32   35   55   56                                       
CONECT   35   11   34                                                 
CONECT   36    2                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
