COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.637   2.529  -1.261  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.497  -1.773   0.623  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.095  -0.424   2.601  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.443  -0.284   1.347  1.00  0.00           S  
HETATM    5  C   UNL     1      -4.013   2.503  -1.127  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.106   0.178   1.213  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.604   1.625  -0.237  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.052   0.008  -1.165  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.819   0.774   0.519  1.00  0.00           C  
HETATM   10  O   UNL     1       1.722  -1.043  -0.370  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.443   0.800   0.384  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.852   1.678  -0.506  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.568  -2.725   0.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.247  -3.166  -0.352  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.190  -3.714  -1.314  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.180  -2.612  -1.646  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.478  -2.165  -0.360  1.00  0.00           C  
HETATM   18  C   UNL     1       0.413  -0.987  -0.661  1.00  0.00           C  
HETATM   19  C   UNL     1       2.519   0.128  -0.688  1.00  0.00           C  
HETATM   20  C   UNL     1       3.974  -0.122  -0.287  1.00  0.00           C  
HETATM   21  C   UNL     1       4.814   1.112  -0.622  1.00  0.00           C  
HETATM   22  H   UNL     1      -2.176   3.212  -1.959  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.626   3.168  -1.717  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.280   0.089   1.215  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.778   1.696  -0.614  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.144  -3.594   1.452  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.299  -2.244   1.598  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.978  -3.944  -0.134  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.747  -2.313  -0.809  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.673  -4.552  -0.847  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.674  -4.051  -2.231  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.442  -2.996  -2.349  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.701  -1.764  -2.091  1.00  0.00           H  
HETATM   34  H   UNL     1       0.119  -2.984   0.039  1.00  0.00           H  
HETATM   35  H   UNL     1       2.465   0.324  -1.759  1.00  0.00           H  
HETATM   36  H   UNL     1       2.134   0.989  -0.141  1.00  0.00           H  
HETATM   37  H   UNL     1       4.028  -0.318   0.784  1.00  0.00           H  
HETATM   38  H   UNL     1       4.359  -0.983  -0.834  1.00  0.00           H  
HETATM   39  H   UNL     1       4.761   1.309  -1.693  1.00  0.00           H  
HETATM   40  H   UNL     1       4.429   1.973  -0.075  1.00  0.00           H  
HETATM   41  C   UNL     1       6.248   0.866  -0.227  1.00  0.00           C  
HETATM   42  C   UNL     1       7.138   0.305  -1.130  1.00  0.00           C  
HETATM   43  C   UNL     1       8.447   0.097  -0.723  1.00  0.00           C  
HETATM   44  C   UNL     1       8.818   0.453   0.560  1.00  0.00           C  
HETATM   45  N   UNL     1       7.944   0.985   1.392  1.00  0.00           N  
HETATM   46  C   UNL     1       6.693   1.202   1.037  1.00  0.00           C  
HETATM   47  H   UNL     1       6.820   0.037  -2.126  1.00  0.00           H  
HETATM   48  H   UNL     1       9.167  -0.338  -1.400  1.00  0.00           H  
HETATM   49  H   UNL     1       9.836   0.294   0.885  1.00  0.00           H  
HETATM   50  H   UNL     1       6.005   1.640   1.746  1.00  0.00           H  
HETATM   51  N   UNL     1      -6.076   1.597  -0.092  1.00  0.00           N1+
HETATM   52  O   UNL     1      -6.768   2.348  -0.757  1.00  0.00           O1-
HETATM   53  O   UNL     1      -6.597   0.824   0.692  1.00  0.00           O  
CONECT    1    5   12   12   22                                       
CONECT    2   13   17    4                                            
CONECT    3    4    4                                                 
CONECT    4    2   11    3    3                                       
CONECT    4    6    6                                                 
CONECT    5    7    7    1   23                                       
CONECT    6    4    4                                                 
CONECT    7    5    5    9   51                                       
CONECT    8   18   18                                                 
CONECT    9    7   11   11   24                                       
CONECT   10   19   18                                                 
CONECT   11    9    9   12    4                                       
CONECT   12    1    1   11   25                                       
CONECT   13   14    2   26   27                                       
CONECT   14   13   15   28   29                                       
CONECT   15   14   16   30   31                                       
CONECT   16   15   17   32   33                                       
CONECT   17   18    2   16   34                                       
CONECT   18   10    8    8   17                                       
CONECT   19   20   10   35   36                                       
CONECT   20   21   19   37   38                                       
CONECT   21   20   39   40   41                                       
CONECT   22    1                                                      
CONECT   23    5                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21   42   46   46                                       
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44   48                                       
CONECT   44   43   45   45   49                                       
CONECT   45   44   44   46                                            
CONECT   46   45   41   41   50                                       
CONECT   47   42                                                      
CONECT   48   43                                                      
CONECT   49   44                                                      
CONECT   50   46                                                      
CONECT   51    7   52   53   53                                       
CONECT   52   51                                                      
CONECT   53   51   51                                                 
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
