COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.097   1.611   1.815  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.484   2.910   0.354  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.254   4.341   0.844  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.860   2.812  -0.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.470   0.357  -0.216  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.235  -1.117   1.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.887  -1.958  -0.748  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.474  -0.680  -1.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.786   1.113  -2.171  1.00  0.00           C  
HETATM   10  C   UNL     1       2.505  -1.228   0.185  1.00  0.00           C  
HETATM   11  C   UNL     1       2.141  -2.603   0.683  1.00  0.00           C  
HETATM   12  C   UNL     1       4.027  -1.109   0.085  1.00  0.00           C  
HETATM   13  C   UNL     1       4.393   0.241  -0.537  1.00  0.00           C  
HETATM   14  C   UNL     1       6.431   2.018  -1.403  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.032   1.474  -0.880  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.858   0.096   1.029  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.249  -2.125   0.519  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.912  -3.018  -1.637  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.046  -0.152  -2.335  1.00  0.00           N  
HETATM   20  N   UNL     1       1.996  -0.217   1.122  1.00  0.00           N  
HETATM   21  O   UNL     1       0.623   0.979  -0.714  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.423   2.012   1.464  1.00  0.00           O  
HETATM   23  O   UNL     1       2.506  -3.688  -0.018  1.00  0.00           O  
HETATM   24  O   UNL     1       1.520  -2.728   1.712  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.555  -0.855   0.559  1.00  0.00           O  
HETATM   26  P   UNL     1       0.496   0.363   0.626  1.00  0.00           P  
HETATM   27  S   UNL     1       6.198   0.382  -0.656  1.00  0.00           S  
HETATM   28  H   UNL     1       0.564   2.478   1.791  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.099   1.185   2.818  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.713   2.645  -0.370  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.388   5.035   0.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.970   4.575   1.632  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.240   4.434   1.234  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.635   2.989   0.440  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.938   3.559  -1.096  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.544  -1.296   2.393  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.429   1.778  -2.943  1.00  0.00           H  
HETATM   38  H   UNL     1       2.063  -1.068  -0.798  1.00  0.00           H  
HETATM   39  H   UNL     1       4.464  -1.180   1.081  1.00  0.00           H  
HETATM   40  H   UNL     1       4.414  -1.913  -0.540  1.00  0.00           H  
HETATM   41  H   UNL     1       3.957   0.312  -1.533  1.00  0.00           H  
HETATM   42  H   UNL     1       4.006   1.046   0.088  1.00  0.00           H  
HETATM   43  H   UNL     1       5.993   2.779  -0.757  1.00  0.00           H  
HETATM   44  H   UNL     1       7.496   2.214  -1.524  1.00  0.00           H  
HETATM   45  H   UNL     1       5.943   2.045  -2.378  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.643  -2.884  -2.560  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.199  -3.895  -1.338  1.00  0.00           H  
HETATM   48  H   UNL     1       2.656   0.537   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1       2.249  -4.549   0.341  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.689  -1.307   1.403  1.00  0.00           H  
CONECT    1   26   22   28   29                                       
CONECT    2   22    3    4   30                                       
CONECT    3    2   31   32   33                                       
CONECT    4    2   15   34   35                                       
CONECT    5    8    8   16   15                                       
CONECT    6   17   16   16   36                                       
CONECT    7   18   17   17    8                                       
CONECT    8    7    5    5   19                                       
CONECT    9   19   19   15   37                                       
CONECT   10   20   11   12   38                                       
CONECT   11   24   24   10   23                                       
CONECT   12   10   13   39   40                                       
CONECT   13   12   27   41   42                                       
CONECT   14   27   43   44   45                                       
CONECT   15    5    9    4                                            
CONECT   16    6    6    5                                            
CONECT   17    7    7    6                                            
CONECT   18    7   46   47                                            
CONECT   19    8    9    9                                            
CONECT   20   26   10   48                                            
CONECT   21   26   26                                                 
CONECT   22    1    2                                                 
CONECT   23   11   49                                                 
CONECT   24   11   11                                                 
CONECT   25   26   50                                                 
CONECT   26   21   21   25   20                                       
CONECT   26    1                                                      
CONECT   27   14   13                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
