COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.546  -0.480  10.859  1.00  0.00           N  
HETATM    2  C   UNL     1       1.636   0.223   9.714  1.00  0.00           C  
HETATM    3  O   UNL     1       2.262   1.262   9.688  1.00  0.00           O  
HETATM    4  C   UNL     1       0.957  -0.278   8.465  1.00  0.00           C  
HETATM    5  P   UNL     1       0.202  -0.092   5.547  1.00  0.00           P  
HETATM    6  S   UNL     1       1.261   0.882   7.104  1.00  0.00           S  
HETATM    7  O   UNL     1       0.825  -1.557   5.309  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.223  -0.217   5.924  1.00  0.00           O  
HETATM    9  P   UNL     1      -0.496  -0.023   3.060  1.00  0.00           P  
HETATM   10  O   UNL     1       0.086  -1.371   2.879  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.036  -0.161   3.511  1.00  0.00           O  
HETATM   12  O   UNL     1       0.325   0.770   4.193  1.00  0.00           O  
HETATM   13  P   UNL     1      -1.254  -0.059   0.588  1.00  0.00           P  
HETATM   14  O   UNL     1      -0.659  -1.406   0.446  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.781  -0.196   1.081  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.415   0.786   1.671  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.215   0.697  -0.831  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.973  -0.098  -1.744  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.976   0.568  -3.121  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.632   0.657  -3.624  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.785  -0.286  -4.116  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.887   0.455  -4.641  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.769  -0.617  -5.240  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.385  -0.527  -6.526  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.706   0.495  -5.057  1.00  0.00           C  
HETATM   26  N   UNL     1       0.588   0.072  -5.596  1.00  0.00           N  
HETATM   27  C   UNL     1       1.536  -0.653  -4.939  1.00  0.00           C  
HETATM   28  N   UNL     1       2.561  -0.851  -5.716  1.00  0.00           N  
HETATM   29  C   UNL     1       2.336  -0.267  -6.917  1.00  0.00           C  
HETATM   30  C   UNL     1       3.065  -0.154  -8.113  1.00  0.00           C  
HETATM   31  N   UNL     1       4.320  -0.724  -8.234  1.00  0.00           N  
HETATM   32  N   UNL     1       2.521   0.513  -9.126  1.00  0.00           N  
HETATM   33  C   UNL     1       1.324   1.060  -9.020  1.00  0.00           C  
HETATM   34  N   UNL     1       0.606   0.979  -7.920  1.00  0.00           N  
HETATM   35  C   UNL     1       1.065   0.327  -6.857  1.00  0.00           C  
HETATM   36  H   UNL     1       1.983  -0.157  11.663  1.00  0.00           H  
HETATM   37  H   UNL     1       1.042  -1.309  10.881  1.00  0.00           H  
HETATM   38  H   UNL     1       1.357  -1.257   8.204  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.114  -0.358   8.642  1.00  0.00           H  
HETATM   40  H   UNL     1       1.753  -1.430   5.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.377   0.736   3.617  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.131   0.701   1.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.525  -1.089  -1.821  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.997  -0.189  -1.383  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.411   1.565  -3.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.135  -1.200  -3.636  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.316  -0.109  -5.299  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.329  -1.603  -5.090  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.032  -1.244  -6.577  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.034   1.420  -5.531  1.00  0.00           H  
HETATM   51  H   UNL     1       1.450  -1.012  -3.924  1.00  0.00           H  
HETATM   52  H   UNL     1       4.814  -0.639  -9.065  1.00  0.00           H  
HETATM   53  H   UNL     1       4.707  -1.209  -7.488  1.00  0.00           H  
HETATM   54  H   UNL     1       0.920   1.593  -9.867  1.00  0.00           H  
CONECT    1    2   36   37                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6   38   39                                       
CONECT    5    6    7    8    8                                       
CONECT    5   12                                                      
CONECT    6    4    5                                                 
CONECT    7    5   40                                                 
CONECT    8    5    5                                                 
CONECT    9   10   10   11   12                                       
CONECT    9   16                                                      
CONECT   10    9    9                                                 
CONECT   11    9   41                                                 
CONECT   12    5    9                                                 
CONECT   13   14   14   15   16                                       
CONECT   13   17                                                      
CONECT   14   13   13                                                 
CONECT   15   13   42                                                 
CONECT   16    9   13                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   21   45                                       
CONECT   20   19   25                                                 
CONECT   21   19   22   23   46                                       
CONECT   22   21   47                                                 
CONECT   23   21   24   25   48                                       
CONECT   24   23   49                                                 
CONECT   25   20   23   26   50                                       
CONECT   26   25   27   35                                            
CONECT   27   26   28   28   51                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   35   35                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   52   53                                            
CONECT   32   30   30   33                                            
CONECT   33   32   34   34   54                                       
CONECT   34   33   33   35                                            
CONECT   35   26   29   29   34                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
