COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.246  -1.041   1.347  1.00  0.00           C  
HETATM    2  C   UNL     1       3.464  -1.202  -0.990  1.00  0.00           C  
HETATM    3  C   UNL     1       5.175  -0.823   0.347  1.00  0.00           C  
HETATM    4  C   UNL     1       5.449  -1.912  -0.488  1.00  0.00           C  
HETATM    5  C   UNL     1       6.693  -2.572  -0.354  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.082   0.671  -2.469  1.00  0.00           O  
HETATM    7  P   UNL     1      -2.378   1.214  -0.982  1.00  0.00           P  
HETATM    8  O   UNL     1      -2.962   2.571  -1.060  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.412   0.225  -0.245  1.00  0.00           O  
HETATM   10  P   UNL     1      -4.997  -0.030  -0.370  1.00  0.00           P  
HETATM   11  O   UNL     1      -5.321  -0.459  -1.748  1.00  0.00           O  
HETATM   12  S   UNL     1      -6.038   1.763   0.076  1.00  0.00           S  
HETATM   13  O   UNL     1      -5.439  -1.179   0.668  1.00  0.00           O  
HETATM   14  P   UNL     1      -6.843  -1.879   1.030  1.00  0.00           P  
HETATM   15  O   UNL     1      -7.183  -3.001  -0.073  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.740  -2.568   2.482  1.00  0.00           O  
HETATM   17  O   UNL     1      -7.914  -0.859   1.043  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.002   1.270  -0.148  1.00  0.00           O  
HETATM   19  C   UNL     1       0.080   2.140  -0.488  1.00  0.00           C  
HETATM   20  C   UNL     1       1.227   1.939   0.505  1.00  0.00           C  
HETATM   21  C   UNL     1       2.355   2.948   0.213  1.00  0.00           C  
HETATM   22  O   UNL     1       2.582   3.786   1.348  1.00  0.00           O  
HETATM   23  C   UNL     1       3.594   2.062  -0.063  1.00  0.00           C  
HETATM   24  O   UNL     1       4.762   2.616   0.544  1.00  0.00           O  
HETATM   25  C   UNL     1       5.499   3.496  -0.307  1.00  0.00           C  
HETATM   26  C   UNL     1       3.197   0.727   0.617  1.00  0.00           C  
HETATM   27  O   UNL     1       1.781   0.622   0.352  1.00  0.00           O  
HETATM   28  N   UNL     1       3.919  -0.394   0.012  1.00  0.00           N  
HETATM   29  N   UNL     1       6.089  -0.426   1.239  1.00  0.00           N  
HETATM   30  N   UNL     1       8.153  -0.597   2.277  1.00  0.00           N  
HETATM   31  N   UNL     1       7.569  -2.110   0.566  1.00  0.00           N  
HETATM   32  O   UNL     1       6.974  -3.525  -1.061  1.00  0.00           O  
HETATM   33  N   UNL     1       4.365  -2.094  -1.282  1.00  0.00           N1+
HETATM   34  C   UNL     1       4.230  -3.131  -2.307  1.00  0.00           C  
HETATM   35  H   UNL     1       2.499  -1.115  -1.468  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.697  -0.216  -2.494  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.655   2.030   1.337  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.522  -3.704  -0.137  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.552  -3.010   2.766  1.00  0.00           H  
HETATM   40  H   UNL     1       0.427   1.912  -1.495  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.260   3.175  -0.446  1.00  0.00           H  
HETATM   42  H   UNL     1       0.862   2.072   1.524  1.00  0.00           H  
HETATM   43  H   UNL     1       2.112   3.549  -0.663  1.00  0.00           H  
HETATM   44  H   UNL     1       1.837   4.363   1.567  1.00  0.00           H  
HETATM   45  H   UNL     1       3.742   1.925  -1.134  1.00  0.00           H  
HETATM   46  H   UNL     1       6.371   3.874   0.227  1.00  0.00           H  
HETATM   47  H   UNL     1       5.824   2.954  -1.195  1.00  0.00           H  
HETATM   48  H   UNL     1       4.864   4.331  -0.603  1.00  0.00           H  
HETATM   49  H   UNL     1       3.384   0.772   1.689  1.00  0.00           H  
HETATM   50  H   UNL     1       7.936   0.160   2.843  1.00  0.00           H  
HETATM   51  H   UNL     1       9.010  -1.041   2.368  1.00  0.00           H  
HETATM   52  H   UNL     1       8.431  -2.541   0.670  1.00  0.00           H  
HETATM   53  H   UNL     1       3.792  -4.025  -1.863  1.00  0.00           H  
HETATM   54  H   UNL     1       3.584  -2.769  -3.107  1.00  0.00           H  
HETATM   55  H   UNL     1       5.212  -3.371  -2.713  1.00  0.00           H  
CONECT    1   30   31   29   29                                       
CONECT    2   33   33   28   35                                       
CONECT    3   29    4    4   28                                       
CONECT    4    5    3    3   33                                       
CONECT    5   31   32   32    4                                       
CONECT    6    7   36                                                 
CONECT    7    9   18    8    8                                       
CONECT    7    6                                                      
CONECT    8    7    7                                                 
CONECT    9   10    7                                                 
CONECT   10   13    9   12   11                                       
CONECT   10   11                                                      
CONECT   11   10   10                                                 
CONECT   12   10   37                                                 
CONECT   13   14   10                                                 
CONECT   14   17   17   16   15                                       
CONECT   14   13                                                      
CONECT   15   14   38                                                 
CONECT   16   14   39                                                 
CONECT   17   14   14                                                 
CONECT   18   19    7                                                 
CONECT   19   20   18   40   41                                       
CONECT   20   21   19   27   42                                       
CONECT   21   22   23   20   43                                       
CONECT   22   21   44                                                 
CONECT   23   21   24   26   45                                       
CONECT   24   25   23                                                 
CONECT   25   24   46   47   48                                       
CONECT   26   23   28   27   49                                       
CONECT   27   20   26                                                 
CONECT   28    3    2   26                                            
CONECT   29    1    1    3                                            
CONECT   30    1   50   51                                            
CONECT   31    1    5   52                                            
CONECT   32    5    5                                                 
CONECT   33    4   34    2    2                                       
CONECT   34   33   53   54   55                                       
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
