COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.864  -5.333  -1.743  1.00  0.00           C  
HETATM    2  C   UNL     1       2.917  -3.600  -0.115  1.00  0.00           C  
HETATM    3  C   UNL     1       2.558  -3.051   1.107  1.00  0.00           C  
HETATM    4  C   UNL     1       3.026  -1.802   1.467  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.705   0.361  -0.824  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.807  -0.455  -1.225  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.919  -0.284   0.097  1.00  0.00           C  
HETATM    8  C   UNL     1       2.435   2.213  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1       1.470   2.476  -1.775  1.00  0.00           C  
HETATM   10  C   UNL     1       3.855  -1.097   0.606  1.00  0.00           C  
HETATM   11  C   UNL     1       2.073   1.624   0.390  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.336   0.804  -1.097  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.591  -0.100  -1.758  1.00  0.00           C  
HETATM   14  C   UNL     1       0.149   2.151  -1.536  1.00  0.00           C  
HETATM   15  C   UNL     1       4.055   3.023  -2.353  1.00  0.00           C  
HETATM   16  C   UNL     1       4.214  -1.647  -0.618  1.00  0.00           C  
HETATM   17  O   UNL     1       2.455  -4.829  -0.470  1.00  0.00           O  
HETATM   18  N   UNL     1       4.333   0.166   0.973  1.00  0.00           N  
HETATM   19  S   UNL     1       3.299   1.291   1.611  1.00  0.00           S  
HETATM   20  O   UNL     1       4.050   2.487   1.763  1.00  0.00           O  
HETATM   21  O   UNL     1       2.628   0.652   2.689  1.00  0.00           O  
HETATM   22  C   UNL     1       0.753   1.300   0.631  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.213   1.563  -0.332  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.553   1.235  -0.088  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.905   0.785  -2.236  1.00  0.00           O  
HETATM   26  S   UNL     1      -4.471   0.329   0.759  1.00  0.00           S  
HETATM   27  N   UNL     1      -7.138  -0.585   0.882  1.00  0.00           N1+
HETATM   28  O   UNL     1      -8.129  -1.021   0.324  1.00  0.00           O1-
HETATM   29  O   UNL     1      -7.149  -0.398   2.086  1.00  0.00           O  
HETATM   30  O   UNL     1       3.736   2.527  -1.052  1.00  0.00           O  
HETATM   31  C   UNL     1       3.741  -2.893  -0.979  1.00  0.00           C  
HETATM   32  H   UNL     1       2.526  -4.656  -2.527  1.00  0.00           H  
HETATM   33  H   UNL     1       3.951  -5.409  -1.771  1.00  0.00           H  
HETATM   34  H   UNL     1       2.427  -6.319  -1.901  1.00  0.00           H  
HETATM   35  H   UNL     1       1.913  -3.600   1.777  1.00  0.00           H  
HETATM   36  H   UNL     1       2.746  -1.375   2.419  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.616  -0.835  -1.831  1.00  0.00           H  
HETATM   38  H   UNL     1       1.753   2.934  -2.711  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.358  -0.178  -2.809  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.601   2.356  -2.285  1.00  0.00           H  
HETATM   41  H   UNL     1       3.562   3.983  -2.507  1.00  0.00           H  
HETATM   42  H   UNL     1       5.134   3.151  -2.439  1.00  0.00           H  
HETATM   43  H   UNL     1       3.713   2.314  -3.107  1.00  0.00           H  
HETATM   44  H   UNL     1       4.859  -1.099  -1.288  1.00  0.00           H  
HETATM   45  H   UNL     1       5.271   0.383   0.853  1.00  0.00           H  
HETATM   46  H   UNL     1       0.471   0.842   1.567  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.917   1.317   0.807  1.00  0.00           H  
HETATM   48  H   UNL     1       4.020  -3.322  -1.930  1.00  0.00           H  
CONECT    1   17   32   33   34                                       
CONECT    2   31   31    3   17                                       
CONECT    3    4    4    2   35                                       
CONECT    4   10    3    3   36                                       
CONECT    5   12   13   13   26                                       
CONECT    6   13    7    7   37                                       
CONECT    7    6    6   26   27                                       
CONECT    8   30    9    9   11                                       
CONECT    9    8    8   14   38                                       
CONECT   10   18   16   16    4                                       
CONECT   11    8   19   22   22                                       
CONECT   12   24   25   25    5                                       
CONECT   13    5    5    6   39                                       
CONECT   14    9   23   23   40                                       
CONECT   15   30   41   42   43                                       
CONECT   16   10   10   31   44                                       
CONECT   17    2    1                                                 
CONECT   18   19   10   45                                            
CONECT   19   21   21   11   18                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   11   11   23   46                                       
CONECT   23   14   14   22   24                                       
CONECT   24   23   12   47                                            
CONECT   25   12   12                                                 
CONECT   26    5    7                                                 
CONECT   27    7   28   29   29                                       
CONECT   28   27                                                      
CONECT   29   27   27                                                 
CONECT   30   15    8                                                 
CONECT   31   16    2    2   48                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
