COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.528   1.309   1.907  1.00  0.00           C  
HETATM    2  C   UNL     1       6.145  -1.388  -0.146  1.00  0.00           C  
HETATM    3  C   UNL     1       5.117  -0.519   0.465  1.00  0.00           C  
HETATM    4  C   UNL     1       5.492   0.502   1.341  1.00  0.00           C  
HETATM    5  C   UNL     1       3.191   1.105   1.614  1.00  0.00           C  
HETATM    6  C   UNL     1       3.766  -0.723   0.178  1.00  0.00           C  
HETATM    7  B   UNL     1      -2.903  -0.056  -0.244  1.00  0.00           B  
HETATM    8  C   UNL     1      -3.224   2.779   0.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.198   2.357  -0.544  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.695   0.947  -0.230  1.00  0.00           C  
HETATM   11  C   UNL     1       1.354  -0.122   0.438  1.00  0.00           C  
HETATM   12  C   UNL     1       2.812   0.092   0.752  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.713   0.543  -1.240  1.00  0.00           N  
HETATM   14  O   UNL     1       0.929   2.255  -0.696  1.00  0.00           O  
HETATM   15  O   UNL     1       1.525   0.366  -2.179  1.00  0.00           O  
HETATM   16  O   UNL     1       5.815  -2.275  -0.907  1.00  0.00           O  
HETATM   17  O   UNL     1       7.447  -1.195   0.141  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.910  -1.146  -1.154  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.989   0.128   0.652  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.317  -0.671   1.575  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.751  -0.944  -0.978  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.580  -2.322   0.783  1.00  0.00           O  
HETATM   23  P   UNL     1      -5.147  -0.982   0.514  1.00  0.00           P  
HETATM   24  S   UNL     1       0.894   0.869  -1.009  1.00  0.00           S  
HETATM   25  H   UNL     1       4.817   2.099   2.585  1.00  0.00           H  
HETATM   26  H   UNL     1       6.535   0.659   1.573  1.00  0.00           H  
HETATM   27  H   UNL     1       2.440   1.740   2.060  1.00  0.00           H  
HETATM   28  H   UNL     1       3.469  -1.511  -0.498  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.062   2.083   0.501  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.756   2.770   1.496  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.583   3.783   0.287  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.666   2.365  -1.528  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.360   3.053  -0.534  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.227   0.939   0.755  1.00  0.00           H  
HETATM   35  H   UNL     1       1.179  -1.177   0.227  1.00  0.00           H  
HETATM   36  H   UNL     1       0.750   0.182   1.294  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.005   0.085  -2.044  1.00  0.00           H  
HETATM   38  H   UNL     1       8.082  -1.788  -0.283  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.694  -1.708  -1.089  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.050  -1.301   1.548  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.140  -0.093  -1.224  1.00  0.00           H  
CONECT    1    5    4    4   25                                       
CONECT    2    3   16   16   17                                       
CONECT    3    6    6    4    2                                       
CONECT    4    1    1    3   26                                       
CONECT    5   12   12    1   27                                       
CONECT    6   12    3    3   28                                       
CONECT    7   19   10   18                                            
CONECT    8    9   29   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9    7   13   34                                       
CONECT   11   24   12   35   36                                       
CONECT   12   11    5    5    6                                       
CONECT   13   10   24   37                                            
CONECT   14   24   24                                                 
CONECT   15   24   24                                                 
CONECT   16    2    2                                                 
CONECT   17    2   38                                                 
CONECT   18    7   39                                                 
CONECT   19   23    7                                                 
CONECT   20   23   40                                                 
CONECT   21   23   41                                                 
CONECT   22   23   23                                                 
CONECT   23   22   22   20   21                                       
CONECT   23   19                                                      
CONECT   24   13   15   15   11                                       
CONECT   24   14   14                                                 
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
