COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.270   0.442  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.727   0.351  -0.552  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.486   1.473   0.108  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.972   1.607  -0.107  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.904   2.265   0.810  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.886   1.331   0.554  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.042  -2.146  -0.732  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.067  -1.161  -0.024  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.231  -0.518   0.194  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.466  -1.009  -0.422  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.633  -0.107  -0.016  1.00  0.00           C  
HETATM   12  S   UNL     1      -7.158  -0.713  -0.778  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.797  -0.656   0.610  1.00  0.00           C  
HETATM   14  C   UNL     1       0.370  -1.559   0.204  1.00  0.00           C  
HETATM   15  N   UNL     1       1.605  -1.068   0.820  1.00  0.00           N  
HETATM   16  C   UNL     1       2.769  -1.711   0.601  1.00  0.00           C  
HETATM   17  O   UNL     1       2.781  -2.747  -0.029  1.00  0.00           O  
HETATM   18  C   UNL     1       4.057  -1.142   1.140  1.00  0.00           C  
HETATM   19  O   UNL     1       3.764  -0.091   2.062  1.00  0.00           O  
HETATM   20  C   UNL     1       4.893  -0.589  -0.016  1.00  0.00           C  
HETATM   21  C   UNL     1       5.331  -1.740  -0.924  1.00  0.00           C  
HETATM   22  C   UNL     1       4.054   0.405  -0.822  1.00  0.00           C  
HETATM   23  C   UNL     1       6.128   0.119   0.541  1.00  0.00           C  
HETATM   24  O   UNL     1       6.909   0.636  -0.538  1.00  0.00           O  
HETATM   25  P   UNL     1       8.284   1.444  -0.318  1.00  0.00           P  
HETATM   26  O   UNL     1       8.821   1.986  -1.736  1.00  0.00           O  
HETATM   27  O   UNL     1       8.044   2.589   0.589  1.00  0.00           O  
HETATM   28  O   UNL     1       9.384   0.465   0.334  1.00  0.00           O  
HETATM   29  H   UNL     1      -9.830   0.430  -1.634  1.00  0.00           H  
HETATM   30  H   UNL     1     -10.129  -0.605  -0.218  1.00  0.00           H  
HETATM   31  H   UNL     1     -12.502   1.042   0.658  1.00  0.00           H  
HETATM   32  H   UNL     1     -12.254   2.658  -0.045  1.00  0.00           H  
HETATM   33  H   UNL     1     -12.232   1.219  -1.092  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.251   0.269   0.760  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.359  -0.999  -1.507  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.660  -2.028  -0.086  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.739  -0.117   1.069  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.438   0.912  -0.352  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.602   0.362   0.274  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.903  -0.667   1.695  1.00  0.00           H  
HETATM   41  H   UNL     1       0.176  -2.578   0.540  1.00  0.00           H  
HETATM   42  H   UNL     1       0.477  -1.549  -0.881  1.00  0.00           H  
HETATM   43  H   UNL     1       1.585  -0.281   1.386  1.00  0.00           H  
HETATM   44  H   UNL     1       4.616  -1.927   1.649  1.00  0.00           H  
HETATM   45  H   UNL     1       3.267   0.644   1.676  1.00  0.00           H  
HETATM   46  H   UNL     1       5.990  -1.357  -1.703  1.00  0.00           H  
HETATM   47  H   UNL     1       5.862  -2.487  -0.334  1.00  0.00           H  
HETATM   48  H   UNL     1       4.454  -2.196  -1.383  1.00  0.00           H  
HETATM   49  H   UNL     1       3.742   1.225  -0.175  1.00  0.00           H  
HETATM   50  H   UNL     1       4.650   0.799  -1.645  1.00  0.00           H  
HETATM   51  H   UNL     1       3.174  -0.100  -1.219  1.00  0.00           H  
HETATM   52  H   UNL     1       5.816   0.939   1.189  1.00  0.00           H  
HETATM   53  H   UNL     1       6.726  -0.589   1.115  1.00  0.00           H  
HETATM   54  H   UNL     1       9.649   2.483  -1.679  1.00  0.00           H  
HETATM   55  H   UNL     1       9.591  -0.309  -0.207  1.00  0.00           H  
CONECT    1   12    6    6    2                                       
CONECT    2    1    3   29   30                                       
CONECT    3    4    2    5    5                                       
CONECT    4    3   31   32   33                                       
CONECT    5    3    3                                                 
CONECT    6    1    1                                                 
CONECT    7    8    8                                                 
CONECT    8   13    7    7    9                                       
CONECT    9    8   10   34                                            
CONECT   10    9   11   35   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   11    1                                                 
CONECT   13   14    8   39   40                                       
CONECT   14   15   13   41   42                                       
CONECT   15   16   14   43                                            
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   20   19   16   44                                       
CONECT   19   18   45                                                 
CONECT   20   23   21   22   18                                       
CONECT   21   20   46   47   48                                       
CONECT   22   20   49   50   51                                       
CONECT   23   24   20   52   53                                       
CONECT   24   25   23                                                 
CONECT   25   27   27   26   28                                       
CONECT   25   24                                                      
CONECT   26   25   54                                                 
CONECT   27   25   25                                                 
CONECT   28   25   55                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
