COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.742  -0.455   0.440  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.836  -0.859  -0.455  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.747  -2.367  -0.094  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.787   1.271  -0.386  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.836  -0.988   1.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.867  -0.794   0.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.621   0.845   1.192  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.898  -0.175   0.852  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.937   1.199   0.987  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.698   3.422  -0.809  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.884   1.884   0.362  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.753  -1.283   0.607  1.00  0.00           N1+
HETATM   13  N   UNL     1      -6.787  -0.043  -0.537  1.00  0.00           N  
HETATM   14  N   UNL     1      -5.870  -2.170  -0.101  1.00  0.00           N  
HETATM   15  O   UNL     1      -7.738   2.007  -1.009  1.00  0.00           O  
HETATM   16  S   UNL     1      -1.363  -2.413  -1.097  1.00  0.00           S  
HETATM   17  C   UNL     1       0.416  -0.117  -0.847  1.00  0.00           C  
HETATM   18  C   UNL     1       1.568  -0.544   0.065  1.00  0.00           C  
HETATM   19  O   UNL     1       5.305   0.803  -0.317  1.00  0.00           O  
HETATM   20  O   UNL     1       4.528  -1.479   0.432  1.00  0.00           O  
HETATM   21  O   UNL     1       4.043   0.467   1.965  1.00  0.00           O  
HETATM   22  O   UNL     1       7.500   2.140  -0.871  1.00  0.00           O  
HETATM   23  O   UNL     1       7.428   0.447   1.001  1.00  0.00           O  
HETATM   24  O   UNL     1       7.372  -0.440  -1.362  1.00  0.00           O  
HETATM   25  O   UNL     1       2.755   0.159  -0.306  1.00  0.00           O  
HETATM   26  P   UNL     1       4.166  -0.044   0.443  1.00  0.00           P  
HETATM   27  P   UNL     1       6.912   0.731  -0.357  1.00  0.00           P  
HETATM   28  H   UNL     1      -3.510  -3.131  -0.057  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.440  -0.422   2.391  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.270  -1.921   1.907  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.161   0.662   2.163  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.003   1.539   0.622  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.612   1.276   1.335  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.205   1.709   1.595  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.512   3.890  -1.362  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.805   3.642   0.253  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.745   3.812  -1.166  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.547  -2.592  -0.652  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.196  -2.711   0.339  1.00  0.00           H  
HETATM   40  H   UNL     1       0.667  -0.348  -1.882  1.00  0.00           H  
HETATM   41  H   UNL     1       0.250   0.955  -0.744  1.00  0.00           H  
HETATM   42  H   UNL     1       1.318  -0.313   1.100  1.00  0.00           H  
HETATM   43  H   UNL     1       1.734  -1.617  -0.038  1.00  0.00           H  
HETATM   44  H   UNL     1       3.808   1.401   2.049  1.00  0.00           H  
HETATM   45  H   UNL     1       8.465   2.169  -0.920  1.00  0.00           H  
HETATM   46  H   UNL     1       7.069  -0.319  -2.272  1.00  0.00           H  
CONECT    1    2    2   12    7                                       
CONECT    2   16   17    1    1                                       
CONECT    3   16   12   12   28                                       
CONECT    4   13   15   11   11                                       
CONECT    5   12    8   29   30                                       
CONECT    6   14   13   13    8                                       
CONECT    7    1   31   32   33                                       
CONECT    8    6    5    9    9                                       
CONECT    9    8    8   11   34                                       
CONECT   10   15   35   36   37                                       
CONECT   11    4    4    9                                            
CONECT   12    3    3    1    5                                       
CONECT   13    6    6    4                                            
CONECT   14    6   38   39                                            
CONECT   15    4   10                                                 
CONECT   16    2    3                                                 
CONECT   17   18    2   40   41                                       
CONECT   18   25   17   42   43                                       
CONECT   19   27   26                                                 
CONECT   20   26   26                                                 
CONECT   21   26   44                                                 
CONECT   22   27   45                                                 
CONECT   23   27   27                                                 
CONECT   24   27   46                                                 
CONECT   25   26   18                                                 
CONECT   26   20   20   21   19                                       
CONECT   26   25                                                      
CONECT   27   23   23   22   24                                       
CONECT   27   19                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
