COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.321  -1.570  -1.049  1.00  0.00           C  
HETATM    2  C   UNL     1       6.902  -2.284  -3.801  1.00  0.00           C  
HETATM    3  C   UNL     1       7.115  -3.134  -2.742  1.00  0.00           C  
HETATM    4  N   UNL     1       6.218  -2.923  -1.724  1.00  0.00           N1+
HETATM    5  C   UNL     1       5.337  -1.973  -1.932  1.00  0.00           C  
HETATM    6  C   UNL     1       7.623  -2.169  -5.085  1.00  0.00           C  
HETATM    7  O   UNL     1       0.090  -4.310   2.143  1.00  0.00           O1-
HETATM    8  P   UNL     1       0.267  -2.935   1.535  1.00  0.00           P  
HETATM    9  O   UNL     1      -0.902  -2.232   0.879  1.00  0.00           O  
HETATM   10  O   UNL     1       0.890  -1.950   2.680  1.00  0.00           O  
HETATM   11  O   UNL     1       1.532  -2.990   0.505  1.00  0.00           O  
HETATM   12  C   UNL     1       1.906  -1.813  -0.201  1.00  0.00           C  
HETATM   13  C   UNL     1       3.082  -2.132  -1.069  1.00  0.00           C  
HETATM   14  O   UNL     1       4.684  -0.569  -0.157  1.00  0.00           O  
HETATM   15  C   UNL     1       6.243  -3.703  -0.495  1.00  0.00           C  
HETATM   16  C   UNL     1       7.137  -3.049   0.551  1.00  0.00           C  
HETATM   17  C   UNL     1       7.220  -3.915   1.778  1.00  0.00           C  
HETATM   18  N   UNL     1       7.977  -4.961   1.828  1.00  0.00           N  
HETATM   19  N   UNL     1       6.446  -3.597   2.861  1.00  0.00           N  
HETATM   20  C   UNL     1       5.900  -2.422   2.921  1.00  0.00           C  
HETATM   21  C   UNL     1       5.054  -2.069   4.112  1.00  0.00           C  
HETATM   22  N   UNL     1       6.017  -1.414   1.994  1.00  0.00           N  
HETATM   23  C   UNL     1       6.601  -1.689   0.875  1.00  0.00           C  
HETATM   24  C   UNL     1       8.132  -4.184  -2.580  1.00  0.00           C  
HETATM   25  S   UNL     1       5.570  -1.249  -3.464  1.00  0.00           S  
HETATM   26  C   UNL     1       8.800  -1.184  -5.045  1.00  0.00           C  
HETATM   27  O   UNL     1       9.756  -1.626  -4.089  1.00  0.00           O  
HETATM   28  P   UNL     1      11.111  -0.743  -3.856  1.00  0.00           P  
HETATM   29  O   UNL     1      11.945  -1.431  -2.797  1.00  0.00           O1-
HETATM   30  O   UNL     1      11.714  -0.380  -5.196  1.00  0.00           O  
HETATM   31  O   UNL     1      10.453   0.602  -3.203  1.00  0.00           O  
HETATM   32  P   UNL     1       9.569   0.805  -1.846  1.00  0.00           P  
HETATM   33  O   UNL     1       8.235   0.113  -2.020  1.00  0.00           O1-
HETATM   34  O   UNL     1      10.438   0.523  -0.640  1.00  0.00           O  
HETATM   35  O   UNL     1       9.332   2.417  -1.946  1.00  0.00           O  
HETATM   36  H   UNL     1       4.390  -0.807   0.725  1.00  0.00           H  
HETATM   37  H   UNL     1       2.891  -2.918  -1.801  1.00  0.00           H  
HETATM   38  H   UNL     1       2.098  -1.026   0.530  1.00  0.00           H  
HETATM   39  H   UNL     1       1.063  -1.505  -0.828  1.00  0.00           H  
HETATM   40  H   UNL     1       0.890  -0.983   2.517  1.00  0.00           H  
HETATM   41  H   UNL     1       8.003  -3.156  -5.411  1.00  0.00           H  
HETATM   42  H   UNL     1       6.933  -1.841  -5.884  1.00  0.00           H  
HETATM   43  H   UNL     1       9.297  -1.138  -6.019  1.00  0.00           H  
HETATM   44  H   UNL     1       8.467  -0.177  -4.772  1.00  0.00           H  
HETATM   45  H   UNL     1       8.650   2.751  -2.568  1.00  0.00           H  
HETATM   46  H   UNL     1       9.001  -4.007  -3.238  1.00  0.00           H  
HETATM   47  H   UNL     1       8.510  -4.245  -1.543  1.00  0.00           H  
HETATM   48  H   UNL     1       7.738  -5.189  -2.816  1.00  0.00           H  
HETATM   49  H   UNL     1       5.225  -3.797  -0.109  1.00  0.00           H  
HETATM   50  H   UNL     1       6.604  -4.710  -0.718  1.00  0.00           H  
HETATM   51  H   UNL     1       8.145  -2.919   0.140  1.00  0.00           H  
HETATM   52  H   UNL     1       6.697  -0.903   0.109  1.00  0.00           H  
HETATM   53  H   UNL     1       8.465  -5.065   0.933  1.00  0.00           H  
HETATM   54  H   UNL     1       5.646  -2.174   5.017  1.00  0.00           H  
HETATM   55  H   UNL     1       4.196  -2.735   4.155  1.00  0.00           H  
HETATM   56  H   UNL     1       4.707  -1.043   4.016  1.00  0.00           H  
CONECT    1   14   13   13    5                                       
CONECT    2    3    3   25    6                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4   25                                       
CONECT    6    2   41   42   26                                       
CONECT    7    8                                                      
CONECT    8    7   11    9    9                                       
CONECT    8   10                                                      
CONECT    9    8    8                                                 
CONECT   10    8   40                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   38   39                                       
CONECT   13    1    1   12   37                                       
CONECT   14    1   36                                                 
CONECT   15    4   49   50   16                                       
CONECT   16   15   51   23   17                                       
CONECT   17   16   19   18   18                                       
CONECT   18   17   17   53                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   22   21                                       
CONECT   21   20   54   55   56                                       
CONECT   22   20   23   23                                            
CONECT   23   16   22   22   52                                       
CONECT   24    3   46   47   48                                       
CONECT   25    2    5                                                 
CONECT   26    6   43   44   27                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   28                                                      
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34   34                                       
CONECT   32   35                                                      
CONECT   33   32                                                      
CONECT   34   32   32                                                 
CONECT   35   32   45                                                 
CONECT   36   14                                                      
CONECT   37   13                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   10                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   35                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   23                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
