COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.726   0.257   0.154  1.00  0.00           C  
HETATM    2  C   UNL     1       4.280  -0.440  -0.919  1.00  0.00           C  
HETATM    3  C   UNL     1       5.594  -0.857  -0.863  1.00  0.00           C  
HETATM    4  C   UNL     1       6.360  -0.593   0.264  1.00  0.00           C  
HETATM    5  C   UNL     1       5.810   0.101   1.334  1.00  0.00           C  
HETATM    6  C   UNL     1       4.499   0.525   1.282  1.00  0.00           C  
HETATM    7  O   UNL     1       7.652  -1.009   0.319  1.00  0.00           O  
HETATM    8  C   UNL     1       7.921  -1.683  -0.912  1.00  0.00           C  
HETATM    9  C   UNL     1       2.315   0.711   0.094  1.00  0.00           C  
HETATM   10  C   UNL     1       1.504   0.625   1.225  1.00  0.00           C  
HETATM   11  C   UNL     1       0.194   1.055   1.166  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.319   1.559  -0.016  1.00  0.00           C  
HETATM   13  C   UNL     1       0.480   1.642  -1.143  1.00  0.00           C  
HETATM   14  C   UNL     1       1.793   1.220  -1.093  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.994   2.100  -0.086  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.061   3.011  -1.175  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.362   2.393   1.255  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.916   0.798  -0.531  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.020  -0.363   0.355  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.908  -1.361   0.022  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.125  -2.650   0.817  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.937  -1.674  -1.476  1.00  0.00           C  
HETATM   23  P   UNL     1      -4.642  -1.162   0.123  1.00  0.00           P  
HETATM   24  O   UNL     1      -5.716  -0.215   0.500  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.817  -1.584  -1.421  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.733  -2.474   1.052  1.00  0.00           O  
HETATM   27  H   UNL     1       3.683  -0.649  -1.794  1.00  0.00           H  
HETATM   28  H   UNL     1       6.024  -1.396  -1.693  1.00  0.00           H  
HETATM   29  H   UNL     1       6.410   0.308   2.208  1.00  0.00           H  
HETATM   30  H   UNL     1       4.072   1.064   2.114  1.00  0.00           H  
HETATM   31  H   UNL     1       8.952  -2.037  -0.915  1.00  0.00           H  
HETATM   32  H   UNL     1       7.245  -2.531  -1.017  1.00  0.00           H  
HETATM   33  H   UNL     1       7.771  -0.994  -1.744  1.00  0.00           H  
HETATM   34  H   UNL     1       1.903   0.231   2.148  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.434   0.993   2.042  1.00  0.00           H  
HETATM   36  H   UNL     1       0.075   2.037  -2.063  1.00  0.00           H  
HETATM   37  H   UNL     1       2.415   1.285  -1.974  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.387   0.805  -1.379  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.919  -0.040   1.391  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.942  -0.929   0.284  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.979  -3.189   0.409  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.234  -3.274   0.746  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.315  -2.405   1.862  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.792  -2.313  -1.697  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.022  -0.745  -2.040  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.017  -2.187  -1.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.266  -2.366  -1.560  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.604  -2.865   0.899  1.00  0.00           H  
CONECT    1    2    6    6    9                                       
CONECT    2    1    3    3   27                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   29                                       
CONECT    6    1    1    5   30                                       
CONECT    7    4    8                                                 
CONECT    8    7   31   32   33                                       
CONECT    9    1   10   14   14                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   36                                       
CONECT   14    9    9   13   37                                       
CONECT   15   12   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   38                                            
CONECT   19   18   20   23   39                                       
CONECT   20   19   21   22   40                                       
CONECT   21   20   41   42   43                                       
CONECT   22   20   44   45   46                                       
CONECT   23   19   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   47                                                 
CONECT   26   23   48                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
