COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.477   0.387  -1.127  1.00  0.00           C  
HETATM    2  C   UNL     1       0.976   0.458  -2.431  1.00  0.00           C  
HETATM    3  N   UNL     1       0.117   0.590  -3.450  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.177   0.652  -3.242  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.699   0.590  -2.030  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.931   0.461  -0.958  1.00  0.00           C  
HETATM    7  C   UNL     1       3.921  -0.005   1.539  1.00  0.00           C  
HETATM    8  C   UNL     1       5.076  -0.131   2.283  1.00  0.00           C  
HETATM    9  C   UNL     1       6.308  -0.169   1.653  1.00  0.00           C  
HETATM   10  C   UNL     1       7.565  -0.307   2.473  1.00  0.00           C  
HETATM   11  C   UNL     1       6.390  -0.083   0.275  1.00  0.00           C  
HETATM   12  C   UNL     1       5.243   0.043  -0.481  1.00  0.00           C  
HETATM   13  C   UNL     1       3.997   0.077   0.147  1.00  0.00           C  
HETATM   14  C   UNL     1       2.763   0.211  -0.656  1.00  0.00           C  
HETATM   15  S   UNL     1       2.730   0.349  -2.404  1.00  0.00           S  
HETATM   16  C   UNL     1       1.533   0.253  -0.146  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.491   0.403   0.305  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.946   0.480   0.465  1.00  0.00           C  
HETATM   19  P   UNL     1      -3.402   2.129   1.092  1.00  0.00           P  
HETATM   20  O   UNL     1      -2.851   2.309   2.454  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.800   3.260   0.116  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.006   2.260   1.141  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.406  -0.589   1.459  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.144  -1.957   0.883  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.061  -2.531   0.023  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.821  -3.786  -0.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.664  -4.466  -0.175  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.747  -3.891   0.685  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.985  -2.634   1.210  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.838   0.758  -4.089  1.00  0.00           H  
HETATM   31  H   UNL     1       2.961   0.025   2.031  1.00  0.00           H  
HETATM   32  H   UNL     1       5.019  -0.198   3.359  1.00  0.00           H  
HETATM   33  H   UNL     1       7.801  -1.363   2.602  1.00  0.00           H  
HETATM   34  H   UNL     1       8.389   0.189   1.960  1.00  0.00           H  
HETATM   35  H   UNL     1       7.415   0.154   3.449  1.00  0.00           H  
HETATM   36  H   UNL     1       7.354  -0.115  -0.210  1.00  0.00           H  
HETATM   37  H   UNL     1       5.308   0.106  -1.557  1.00  0.00           H  
HETATM   38  H   UNL     1       1.339   0.188   0.915  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.922   0.312   1.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.427   0.311  -0.498  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.837   3.240   0.039  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.430   1.664   1.773  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.856  -0.477   2.393  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.473  -0.473   1.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.965  -2.000  -0.236  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.538  -4.235  -1.177  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.477  -5.446  -0.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.843  -4.422   0.944  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.266  -2.184   1.879  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    3   15    1    1                                       
CONECT    3    4    4    2                                            
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    1   17                                       
CONECT    7   13    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   33   34   35                                       
CONECT   11   12    9    9   36                                       
CONECT   12   13   13   11   37                                       
CONECT   13   14   12   12    7                                       
CONECT   14   15   13   16   16                                       
CONECT   15    2   14                                                 
CONECT   16    1   14   14   38                                       
CONECT   17    6   18   39                                            
CONECT   18   19   17   23   40                                       
CONECT   19   20   20   21   22                                       
CONECT   19   18                                                      
CONECT   20   19   19                                                 
CONECT   21   19   41                                                 
CONECT   22   19   42                                                 
CONECT   23   18   24   43   44                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   28   28   26   47                                       
CONECT   28   29   27   27   48                                       
CONECT   29   24   24   28   49                                       
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
