COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.382   2.568   0.016  1.00  0.00           N  
HETATM    2  N   UNL     1       6.369   0.708  -1.013  1.00  0.00           N  
HETATM    3  C   UNL     1       5.207   0.886  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       5.117   1.945   0.597  1.00  0.00           C  
HETATM    5  C   UNL     1       6.280   2.821   0.755  1.00  0.00           C  
HETATM    6  C   UNL     1       3.227   0.893   0.657  1.00  0.00           C  
HETATM    7  C   UNL     1       3.634  -0.941  -1.030  1.00  0.00           C  
HETATM    8  C   UNL     1       7.415   1.537  -0.844  1.00  0.00           C  
HETATM    9  C   UNL     1       4.211  -2.221  -0.387  1.00  0.00           C  
HETATM   10  C   UNL     1       3.058  -2.750   0.496  1.00  0.00           C  
HETATM   11  C   UNL     1       1.921  -1.726   0.282  1.00  0.00           C  
HETATM   12  C   UNL     1       0.565  -2.434   0.254  1.00  0.00           C  
HETATM   13  N   UNL     1       3.883   1.901   1.154  1.00  0.00           N  
HETATM   14  N   UNL     1       4.013   0.238  -0.248  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.348  -2.659  -1.236  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.616  -0.132   2.147  1.00  0.00           O  
HETATM   17  O   UNL     1      -7.072   2.142   1.053  1.00  0.00           O  
HETATM   18  O   UNL     1       8.425   1.347  -1.494  1.00  0.00           O  
HETATM   19  O   UNL     1       4.550  -3.177  -1.393  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.372  -2.703   1.288  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.332  -1.272   0.012  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.065   3.368  -1.043  1.00  0.00           O  
HETATM   23  O   UNL     1       3.453  -2.780   1.869  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.930  -0.512   0.166  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.897   1.212  -0.095  1.00  0.00           O  
HETATM   26  O   UNL     1       2.202  -1.126  -1.002  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.478  -1.462   0.172  1.00  0.00           O  
HETATM   28  O   UNL     1       6.253   3.756   1.534  1.00  0.00           O  
HETATM   29  P   UNL     1      -2.039  -1.853   0.123  1.00  0.00           P  
HETATM   30  P   UNL     1      -4.463  -0.200   0.545  1.00  0.00           P  
HETATM   31  P   UNL     1      -6.312   1.936  -0.352  1.00  0.00           P  
HETATM   32  S   UNL     1      -7.358   0.877  -1.474  1.00  0.00           S  
HETATM   33  H   UNL     1       8.159   3.141   0.106  1.00  0.00           H  
HETATM   34  H   UNL     1       6.435  -0.024  -1.646  1.00  0.00           H  
HETATM   35  H   UNL     1       2.217   0.616   0.919  1.00  0.00           H  
HETATM   36  H   UNL     1       3.983  -0.841  -2.058  1.00  0.00           H  
HETATM   37  H   UNL     1       5.083  -1.983   0.222  1.00  0.00           H  
HETATM   38  H   UNL     1       2.749  -3.742   0.166  1.00  0.00           H  
HETATM   39  H   UNL     1       1.938  -0.971   1.067  1.00  0.00           H  
HETATM   40  H   UNL     1       0.517  -3.093  -0.614  1.00  0.00           H  
HETATM   41  H   UNL     1       0.444  -3.023   1.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.153  -2.162  -2.042  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.074   0.550   2.565  1.00  0.00           H  
HETATM   44  H   UNL     1       4.917  -4.001  -1.045  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.876   3.862  -1.227  1.00  0.00           H  
HETATM   46  H   UNL     1       4.204  -3.362   2.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.585   2.685   1.688  1.00  0.00           H  
CONECT    1    5    8   33                                            
CONECT    2    3    8   34                                            
CONECT    3    4    4   14    2                                       
CONECT    4   13    5    3    3                                       
CONECT    5   28   28    4    1                                       
CONECT    6   13   13   14   35                                       
CONECT    7   14   26    9   36                                       
CONECT    8    1    2   18   18                                       
CONECT    9    7   19   10   37                                       
CONECT   10    9   11   23   38                                       
CONECT   11   26   10   12   39                                       
CONECT   12   11   27   40   41                                       
CONECT   13    4    6    6                                            
CONECT   14    6    3    7                                            
CONECT   15   29   42                                                 
CONECT   16   30   43                                                 
CONECT   17   31   47                                                 
CONECT   18    8    8                                                 
CONECT   19    9   44                                                 
CONECT   20   29   29                                                 
CONECT   21   30   30                                                 
CONECT   22   31   45                                                 
CONECT   23   10   46                                                 
CONECT   24   29   30                                                 
CONECT   25   30   31                                                 
CONECT   26    7   11                                                 
CONECT   27   29   12                                                 
CONECT   28    5    5                                                 
CONECT   29   20   20   27   24                                       
CONECT   29   15                                                      
CONECT   30   21   21   16   24                                       
CONECT   30   25                                                      
CONECT   31   17   22   25   32                                       
CONECT   31   32                                                      
CONECT   32   31   31                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   17                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
