COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.540  -1.411  -2.004  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.421  -1.763  -0.262  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.158   1.070  -0.596  1.00  0.00           O  
HETATM    4  P   UNL     1      -5.641   2.321   0.294  1.00  0.00           P  
HETATM    5  S   UNL     1       7.175   0.301   0.885  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.304  -1.122  -1.150  1.00  0.00           C  
HETATM    7  N   UNL     1       3.333  -0.563  -0.061  1.00  0.00           N  
HETATM    8  O   UNL     1      -6.950   1.908   1.136  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.214  -0.500  -2.024  1.00  0.00           C  
HETATM   10  N   UNL     1      10.477   1.430  -1.160  1.00  0.00           N  
HETATM   11  O   UNL     1      -4.558   2.711   1.225  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.676  -0.149  -0.029  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.993   3.562  -0.669  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.788  -2.428  -0.542  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.812  -3.016   0.262  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.580  -2.140   0.313  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.651  -2.249   1.519  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.225  -1.566   0.560  1.00  0.00           C  
HETATM   19  O   UNL     1       2.121  -1.116   1.713  1.00  0.00           O  
HETATM   20  C   UNL     1       0.943  -1.143  -0.332  1.00  0.00           C  
HETATM   21  O   UNL     1       7.945   0.820  -1.485  1.00  0.00           O  
HETATM   22  C   UNL     1       2.174  -0.940   0.514  1.00  0.00           C  
HETATM   23  C   UNL     1       4.529  -0.366   0.761  1.00  0.00           C  
HETATM   24  C   UNL     1       5.698   0.057  -0.131  1.00  0.00           C  
HETATM   25  C   UNL     1       8.297   0.754  -0.326  1.00  0.00           C  
HETATM   26  C   UNL     1       9.722   1.072   0.048  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.304  -2.186  -2.734  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.353  -1.751  -1.364  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.842  -0.502  -2.525  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.379  -1.623  -1.221  1.00  0.00           H  
HETATM   31  H   UNL     1       3.375  -0.423  -1.020  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.701   1.640   0.589  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.620   0.362  -2.553  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.382  -0.181  -1.395  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.862  -1.237  -2.746  1.00  0.00           H  
HETATM   36  H   UNL     1      11.437   1.647  -0.935  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.796   0.057   0.580  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.453  -0.593   0.594  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.292   4.353  -0.199  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.512  -3.116  -1.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.107  -2.458   0.994  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.417  -0.788   1.300  1.00  0.00           H  
HETATM   43  H   UNL     1       0.024  -2.497   1.069  1.00  0.00           H  
HETATM   44  H   UNL     1       1.135  -1.921  -1.072  1.00  0.00           H  
HETATM   45  H   UNL     1       0.694  -0.212  -0.841  1.00  0.00           H  
HETATM   46  H   UNL     1       4.337   0.412   1.501  1.00  0.00           H  
HETATM   47  H   UNL     1       4.778  -1.297   1.270  1.00  0.00           H  
HETATM   48  H   UNL     1       5.448   0.988  -0.640  1.00  0.00           H  
HETATM   49  H   UNL     1       5.890  -0.721  -0.871  1.00  0.00           H  
HETATM   50  H   UNL     1      10.425   0.696  -1.850  1.00  0.00           H  
HETATM   51  H   UNL     1      10.178   0.199   0.516  1.00  0.00           H  
HETATM   52  H   UNL     1       9.737   1.908   0.747  1.00  0.00           H  
CONECT    1   27   28   29    6                                       
CONECT    2   18   30   16                                            
CONECT    3   12    4                                                 
CONECT    4    3    8   13   11                                       
CONECT    4   11                                                      
CONECT    5   24   25                                                 
CONECT    6    1    9   14   12                                       
CONECT    7   23   31   22                                            
CONECT    8    4   32                                                 
CONECT    9    6   33   34   35                                       
CONECT   10   36   26   50                                            
CONECT   11    4    4                                                 
CONECT   12    3    6   37   38                                       
CONECT   13    4   39                                                 
CONECT   14    6   15   40   16                                       
CONECT   15   14   41                                                 
CONECT   16    2   14   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    2   20   42   43                                       
CONECT   19   22   22                                                 
CONECT   20   18   22   44   45                                       
CONECT   21   25   25                                                 
CONECT   22   19   19   20    7                                       
CONECT   23    7   46   47   24                                       
CONECT   24    5   23   48   49                                       
CONECT   25   21   21    5   26                                       
CONECT   26   25   10   51   52                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   10                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
