COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.186   2.325   0.898  1.00  0.00           O1-
HETATM    2  N   UNL     1     -10.381   1.654  -0.100  1.00  0.00           N1+
HETATM    3  O   UNL     1      -2.516  -1.993  -1.225  1.00  0.00           O  
HETATM    4  O   UNL     1       3.450  -3.081   1.133  1.00  0.00           O  
HETATM    5  O   UNL     1      -9.332   0.875  -0.645  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.102   0.970   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.045   0.092  -0.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.729   0.195   0.175  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.673  -0.683  -0.500  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.423  -0.586   0.233  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.383  -1.304  -0.233  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.080  -1.255   0.461  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -1.998  -0.019  1.00  0.00           C  
HETATM   14  C   UNL     1       1.214  -1.946   0.634  1.00  0.00           C  
HETATM   15  S   UNL     1       2.578  -2.883   0.029  1.00  0.00           S  
HETATM   16  N   UNL     1       3.394  -1.922  -1.045  1.00  0.00           N  
HETATM   17  C   UNL     1       4.022  -0.767  -0.604  1.00  0.00           C  
HETATM   18  N   UNL     1       4.046  -0.325   0.621  1.00  0.00           N  
HETATM   19  N   UNL     1       4.669   0.749   0.843  1.00  0.00           N  
HETATM   20  O   UNL     1       7.476   2.486   0.306  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.922  -0.460   1.599  1.00  0.00           C  
HETATM   22  C   UNL     1       0.298  -0.418   2.242  1.00  0.00           C  
HETATM   23  C   UNL     1       1.362  -1.161   1.764  1.00  0.00           C  
HETATM   24  O   UNL     1       2.027  -3.952  -0.727  1.00  0.00           O  
HETATM   25  S   UNL     1       4.937   0.366  -1.600  1.00  0.00           S  
HETATM   26  C   UNL     1       5.239   1.337  -0.158  1.00  0.00           C  
HETATM   27  S   UNL     1       6.158   2.839  -0.091  1.00  0.00           S  
HETATM   28  N   UNL     1       5.526   3.747   1.141  1.00  0.00           N  
HETATM   29  O   UNL     1       5.870   3.539  -1.294  1.00  0.00           O  
HETATM   30  O   UNL     1     -11.479   1.650  -0.626  1.00  0.00           O  
HETATM   31  H   UNL     1      -7.763   2.007   0.082  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.254   0.633   1.102  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.384  -0.944  -0.603  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.893   0.430  -1.623  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.390   1.231   0.180  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.881  -0.143   1.200  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.011  -1.719  -0.505  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.520  -0.346  -1.525  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.115  -2.611  -0.900  1.00  0.00           H  
HETATM   40  H   UNL     1       3.433  -2.168  -1.983  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.751   0.121   1.973  1.00  0.00           H  
HETATM   42  H   UNL     1       0.422   0.196   3.122  1.00  0.00           H  
HETATM   43  H   UNL     1       2.315  -1.125   2.272  1.00  0.00           H  
HETATM   44  H   UNL     1       4.801   4.367   0.964  1.00  0.00           H  
HETATM   45  H   UNL     1       5.880   3.659   2.039  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5   30   30                                       
CONECT    3   11   11                                                 
CONECT    4   15   15                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   11                                                 
CONECT   11    3    3   10   12                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   23   23                                       
CONECT   15    4    4   14   16                                       
CONECT   15   24   24                                                 
CONECT   16   15   17   40                                            
CONECT   17   16   18   18   25                                       
CONECT   18   17   17   19                                            
CONECT   19   18   26   26                                            
CONECT   20   27   27                                                 
CONECT   21   12   22   22   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   14   14   22   43                                       
CONECT   24   15   15                                                 
CONECT   25   17   26                                                 
CONECT   26   19   19   25   27                                       
CONECT   27   20   20   26   28                                       
CONECT   27   29   29                                                 
CONECT   28   27   44   45                                            
CONECT   29   27   27                                                 
CONECT   30    2    2                                                 
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
