COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.178  -2.996  -0.759  1.00  0.00           C  
HETATM    2  C   UNL     1       6.003  -3.701   0.090  1.00  0.00           C  
HETATM    3  C   UNL     1       5.731  -3.744   1.447  1.00  0.00           C  
HETATM    4  C   UNL     1       4.630  -3.081   1.963  1.00  0.00           C  
HETATM    5  C   UNL     1       3.798  -2.367   1.128  1.00  0.00           C  
HETATM    6  C   UNL     1       4.062  -2.322  -0.247  1.00  0.00           C  
HETATM    7  C   UNL     1       3.178  -1.568  -1.144  1.00  0.00           C1-
HETATM    8  O   UNL     1       3.403  -1.577  -2.488  1.00  0.00           O  
HETATM    9  C   UNL     1       2.136  -0.861  -0.635  1.00  0.00           C  
HETATM   10  S   UNL     1       0.801  -1.410   0.418  1.00  0.00           S  
HETATM   11  C   UNL     1      -0.053   0.151   0.564  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.315   0.471   1.324  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.526   0.259   0.412  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.722   0.563   1.132  1.00  0.00           O  
HETATM   15  P   UNL     1      -4.949   0.319   0.118  1.00  0.00           P  
HETATM   16  O   UNL     1      -4.862   1.376  -1.093  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.878  -1.057  -0.421  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.341   0.516   0.903  1.00  0.00           O  
HETATM   19  P   UNL     1      -7.473  -0.234   0.039  1.00  0.00           P  
HETATM   20  O   UNL     1      -7.417  -1.815   0.337  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.924   0.337   0.443  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.233   0.006  -1.402  1.00  0.00           O  
HETATM   23  C   UNL     1       0.710   0.962  -0.169  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336   2.414  -0.317  1.00  0.00           C  
HETATM   25  N   UNL     1       1.827   0.481  -0.788  1.00  0.00           N1+
HETATM   26  C   UNL     1       2.674   1.360  -1.598  1.00  0.00           C  
HETATM   27  C   UNL     1       3.764   1.941  -0.735  1.00  0.00           C  
HETATM   28  C   UNL     1       3.568   3.122  -0.046  1.00  0.00           C  
HETATM   29  N   UNL     1       4.550   3.604   0.703  1.00  0.00           N  
HETATM   30  C   UNL     1       5.703   2.975   0.798  1.00  0.00           C  
HETATM   31  C   UNL     1       6.789   3.562   1.662  1.00  0.00           C  
HETATM   32  N   UNL     1       5.936   1.849   0.154  1.00  0.00           N  
HETATM   33  C   UNL     1       4.998   1.300  -0.613  1.00  0.00           C  
HETATM   34  N   UNL     1       5.244   0.113  -1.284  1.00  0.00           N  
HETATM   35  H   UNL     1       5.391  -2.963  -1.818  1.00  0.00           H  
HETATM   36  H   UNL     1       6.863  -4.221  -0.303  1.00  0.00           H  
HETATM   37  H   UNL     1       6.382  -4.298   2.108  1.00  0.00           H  
HETATM   38  H   UNL     1       4.425  -3.121   3.022  1.00  0.00           H  
HETATM   39  H   UNL     1       2.940  -1.850   1.531  1.00  0.00           H  
HETATM   40  H   UNL     1       2.762  -0.970  -2.883  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.394  -0.185   2.191  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.287   1.509   1.655  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.447   0.915  -0.455  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.554  -0.779   0.081  1.00  0.00           H  
HETATM   45  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.571  -0.137  -0.096  1.00  0.00           H  
HETATM   47  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.377   2.525  -1.133  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.114   2.769   0.610  1.00  0.00           H  
HETATM   50  H   UNL     1       1.230   2.999  -0.534  1.00  0.00           H  
HETATM   51  H   UNL     1       2.069   2.167  -2.012  1.00  0.00           H  
HETATM   52  H   UNL     1       3.120   0.787  -2.410  1.00  0.00           H  
HETATM   53  H   UNL     1       2.626   3.646  -0.116  1.00  0.00           H  
HETATM   54  H   UNL     1       6.696   3.174   2.677  1.00  0.00           H  
HETATM   55  H   UNL     1       7.764   3.289   1.257  1.00  0.00           H  
HETATM   56  H   UNL     1       6.694   4.648   1.678  1.00  0.00           H  
HETATM   57  H   UNL     1       4.612  -0.210  -1.945  1.00  0.00           H  
HETATM   58  H   UNL     1       6.049  -0.395  -1.093  1.00  0.00           H  
CONECT    1    2    6    6   35                                       
CONECT    2    1    3    3   36                                       
CONECT    3    2    2    4   37                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    9                                            
CONECT    8    7   40                                                 
CONECT    9    7   10   25   25                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   23   23                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   15   18                                                      
CONECT   16   15   15                                                 
CONECT   17   15   45                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   46                                                 
CONECT   22   19   47                                                 
CONECT   23   11   11   24   25                                       
CONECT   24   23   48   49   50                                       
CONECT   25    9    9   23   26                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   28   33                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   30   30                                            
CONECT   30   29   29   31   32                                       
CONECT   31   30   54   55   56                                       
CONECT   32   30   33   33                                            
CONECT   33   27   32   32   34                                       
CONECT   34   33   57   58                                            
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
