COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.239  -0.342   1.273  1.00  0.00           C  
HETATM    2  C   UNL     1       1.592   0.122   2.323  1.00  0.00           C  
HETATM    3  C   UNL     1       4.361   0.910   0.442  1.00  0.00           C  
HETATM    4  C   UNL     1       4.783   0.850  -0.871  1.00  0.00           C  
HETATM    5  C   UNL     1       4.578   3.136  -1.033  1.00  0.00           C  
HETATM    6  C   UNL     1       4.702   4.383  -1.869  1.00  0.00           C  
HETATM    7  N   UNL     1       4.879   1.971  -1.571  1.00  0.00           N  
HETATM    8  N   UNL     1       4.167   3.239   0.214  1.00  0.00           N  
HETATM    9  C   UNL     1       4.045   2.159   0.981  1.00  0.00           C  
HETATM   10  N   UNL     1       3.612   2.272   2.292  1.00  0.00           N  
HETATM   11  N   UNL     1       3.088  -1.123   0.812  1.00  0.00           N1+
HETATM   12  C   UNL     1       3.204  -2.064  -0.087  1.00  0.00           C  
HETATM   13  S   UNL     1       1.618  -2.771  -0.380  1.00  0.00           S  
HETATM   14  C   UNL     1       0.922  -1.708   0.764  1.00  0.00           C  
HETATM   15  C   UNL     1       1.884  -0.924   1.278  1.00  0.00           C  
HETATM   16  C   UNL     1       4.456  -2.467  -0.746  1.00  0.00           C  
HETATM   17  O   UNL     1       4.431  -3.377  -1.741  1.00  0.00           O  
HETATM   18  O   UNL     1       5.512  -1.979  -0.395  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.537  -1.661   1.140  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.269  -0.679   0.223  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.652  -0.635   0.579  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.724   0.297  -0.179  1.00  0.00           P  
HETATM   23  O   UNL     1      -5.197  -0.004   0.395  1.00  0.00           O  
HETATM   24  P   UNL     1      -6.687   0.247  -0.162  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.691   0.006  -1.630  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.357   1.845   0.066  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.731   0.213   1.063  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.753   1.625  -0.857  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.050  -0.859  -1.178  1.00  0.00           O1-
HETATM   30  H   UNL     1       5.146  -0.937   1.169  1.00  0.00           H  
HETATM   31  H   UNL     1       4.099  -0.072   2.319  1.00  0.00           H  
HETATM   32  H   UNL     1       1.442   1.087   1.839  1.00  0.00           H  
HETATM   33  H   UNL     1       0.691  -0.154   2.872  1.00  0.00           H  
HETATM   34  H   UNL     1       2.432   0.189   3.014  1.00  0.00           H  
HETATM   35  H   UNL     1       5.032  -0.099  -1.322  1.00  0.00           H  
HETATM   36  H   UNL     1       3.758   4.575  -2.379  1.00  0.00           H  
HETATM   37  H   UNL     1       4.946   5.229  -1.226  1.00  0.00           H  
HETATM   38  H   UNL     1       5.493   4.248  -2.608  1.00  0.00           H  
HETATM   39  H   UNL     1       3.315   3.130   2.632  1.00  0.00           H  
HETATM   40  H   UNL     1       3.606   1.492   2.869  1.00  0.00           H  
HETATM   41  H   UNL     1       5.278  -3.610  -2.144  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.972  -2.654   1.030  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.635  -1.334   2.175  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.833   0.314   0.333  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.170  -1.006  -0.812  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.360   2.107   0.997  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.650   0.357   0.800  1.00  0.00           H  
CONECT    1    3   11   30   31                                       
CONECT    2   15   32   33   34                                       
CONECT    3    9    1    4    4                                       
CONECT    4    3    3    7   35                                       
CONECT    5    8    6    7    7                                       
CONECT    6    5   36   37   38                                       
CONECT    7    5    5    4                                            
CONECT    8    9    9    5                                            
CONECT    9   10    8    8    3                                       
CONECT   10    9   39   40                                            
CONECT   11   12   12    1   15                                       
CONECT   12   16   11   11   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   19                                       
CONECT   15   11   14   14    2                                       
CONECT   16   18   18   17   12                                       
CONECT   17   16   41                                                 
CONECT   18   16   16                                                 
CONECT   19   14   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22                                                 
CONECT   22   23   25   25   21                                       
CONECT   22   26                                                      
CONECT   23   24   22                                                 
CONECT   24   28   28   29   23                                       
CONECT   24   27                                                      
CONECT   25   22   22                                                 
CONECT   26   22   46                                                 
CONECT   27   24   47                                                 
CONECT   28   24   24                                                 
CONECT   29   24                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
