COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.450   5.604   1.056  1.00  0.00           N  
HETATM    2  C   UNL     1       4.976   6.807   0.757  1.00  0.00           C  
HETATM    3  C   UNL     1       6.115   7.264   1.604  1.00  0.00           C  
HETATM    4  N   UNL     1       4.583   7.641  -0.224  1.00  0.00           N  
HETATM    5  C   UNL     1       3.551   7.196  -0.970  1.00  0.00           C  
HETATM    6  N   UNL     1       3.084   8.023  -2.021  1.00  0.00           N  
HETATM    7  C   UNL     1       2.938   5.990  -0.757  1.00  0.00           C  
HETATM    8  C   UNL     1       3.421   5.222   0.271  1.00  0.00           C  
HETATM    9  C   UNL     1       1.787   5.498  -1.590  1.00  0.00           C  
HETATM   10  N   UNL     1       1.364   4.198  -1.117  1.00  0.00           N1+
HETATM   11  C   UNL     1       0.444   4.059  -0.188  1.00  0.00           C  
HETATM   12  S   UNL     1       0.159   2.409   0.160  1.00  0.00           S  
HETATM   13  C   UNL     1       1.327   1.942  -0.996  1.00  0.00           C  
HETATM   14  C   UNL     1       1.889   3.020  -1.601  1.00  0.00           C  
HETATM   15  C   UNL     1       2.924   3.091  -2.643  1.00  0.00           C  
HETATM   16  C   UNL     1       1.601   0.481  -1.216  1.00  0.00           C  
HETATM   17  C   UNL     1       0.713  -0.131  -2.295  1.00  0.00           C  
HETATM   18  O   UNL     1       0.955   0.511  -3.536  1.00  0.00           O  
HETATM   19  P   UNL     1       0.140   0.051  -4.856  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.416   0.155  -4.431  1.00  0.00           O  
HETATM   21  O   UNL     1       0.488   0.809  -6.105  1.00  0.00           O  
HETATM   22  O   UNL     1       0.393  -1.544  -4.952  1.00  0.00           O  
HETATM   23  P   UNL     1      -2.330   1.434  -4.056  1.00  0.00           P  
HETATM   24  O   UNL     1      -1.846   2.224  -2.875  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.807   0.797  -3.900  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.415   2.253  -5.447  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.268   5.090   0.489  1.00  0.00           C  
HETATM   28  O   UNL     1       0.156   6.241   0.734  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.676   4.802   0.971  1.00  0.00           C  
HETATM   30  H   UNL     1       7.009   7.425   0.989  1.00  0.00           H  
HETATM   31  H   UNL     1       5.876   8.203   2.121  1.00  0.00           H  
HETATM   32  H   UNL     1       6.356   6.526   2.381  1.00  0.00           H  
HETATM   33  H   UNL     1       2.454   7.640  -2.692  1.00  0.00           H  
HETATM   34  H   UNL     1       3.467   8.939  -2.120  1.00  0.00           H  
HETATM   35  H   UNL     1       3.000   4.251   0.514  1.00  0.00           H  
HETATM   36  H   UNL     1       0.943   6.196  -1.542  1.00  0.00           H  
HETATM   37  H   UNL     1       2.071   5.427  -2.647  1.00  0.00           H  
HETATM   38  H   UNL     1       3.822   2.514  -2.358  1.00  0.00           H  
HETATM   39  H   UNL     1       2.570   2.695  -3.612  1.00  0.00           H  
HETATM   40  H   UNL     1       3.247   4.129  -2.843  1.00  0.00           H  
HETATM   41  H   UNL     1       2.656   0.342  -1.485  1.00  0.00           H  
HETATM   42  H   UNL     1       1.443  -0.059  -0.274  1.00  0.00           H  
HETATM   43  H   UNL     1       0.954  -1.192  -2.415  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.350  -0.037  -2.050  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.539   1.368  -3.585  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.862   3.126  -5.458  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.739   3.915   1.620  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.390   4.659   0.145  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.121   5.609   1.580  1.00  0.00           H  
HETATM   50  H   UNL     1       1.237  -1.868  -5.332  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   30   31   32                                       
CONECT    4    2    5    5                                            
CONECT    5    4    4    6    7                                       
CONECT    6    5   33   34                                            
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   35                                       
CONECT    9    7   10   36   37                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   27                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   16                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   38   39   40                                       
CONECT   16   13   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19   23                                                 
CONECT   21   19   19                                                 
CONECT   22   19   50                                                 
CONECT   23   20   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   45                                                 
CONECT   26   23   46                                                 
CONECT   27   11   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   47   48   49                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
