COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.465  -2.516  -0.137  1.00  0.00           C  
HETATM    2  C   UNL     1       0.356  -3.294   0.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.897  -2.644   0.291  1.00  0.00           C  
HETATM    4  C   UNL     1       3.115   3.308  -0.722  1.00  0.00           C  
HETATM    5  C   UNL     1       4.243   2.983   1.282  1.00  0.00           C  
HETATM    6  C   UNL     1       3.745   1.617   0.858  1.00  0.00           C  
HETATM    7  C   UNL     1       3.391   1.790  -0.637  1.00  0.00           C  
HETATM    8  C   UNL     1       2.141   0.986  -1.001  1.00  0.00           C  
HETATM    9  C   UNL     1       1.822   1.181  -2.484  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.381   0.755  -0.184  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.607   1.390  -0.112  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.746   0.666   0.235  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.651  -0.690   0.509  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.429  -1.327   0.438  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.494   3.399  -0.729  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.077   0.488   0.667  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.973  -1.293   0.015  1.00  0.00           C  
HETATM   18  N   UNL     1       0.109  -0.592  -0.318  1.00  0.00           N  
HETATM   19  C   UNL     1       1.300  -1.153  -0.399  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.287  -0.608   0.091  1.00  0.00           C  
HETATM   21  S   UNL     1       2.879  -3.562  -0.146  1.00  0.00           S  
HETATM   22  C   UNL     1       1.922  -4.902   0.305  1.00  0.00           C  
HETATM   23  N   UNL     1       0.689  -4.575   0.435  1.00  0.00           N  
HETATM   24  N   UNL     1       3.881   3.908   0.377  1.00  0.00           N  
HETATM   25  O   UNL     1       4.876   3.210   2.292  1.00  0.00           O  
HETATM   26  O   UNL     1       2.375  -0.400  -0.743  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.952   1.290   0.305  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.702   2.720  -0.380  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.785  -3.198   0.559  1.00  0.00           H  
HETATM   30  H   UNL     1       3.458   3.701  -1.679  1.00  0.00           H  
HETATM   31  H   UNL     1       2.051   3.506  -0.593  1.00  0.00           H  
HETATM   32  H   UNL     1       4.529   0.869   0.980  1.00  0.00           H  
HETATM   33  H   UNL     1       2.860   1.340   1.430  1.00  0.00           H  
HETATM   34  H   UNL     1       4.232   1.510  -1.273  1.00  0.00           H  
HETATM   35  H   UNL     1       1.300   1.330  -0.400  1.00  0.00           H  
HETATM   36  H   UNL     1       0.932   0.608  -2.743  1.00  0.00           H  
HETATM   37  H   UNL     1       1.644   2.239  -2.681  1.00  0.00           H  
HETATM   38  H   UNL     1       2.664   0.837  -3.086  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.498   1.314  -0.457  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.536  -1.248   0.779  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.358  -2.383   0.652  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.781   3.315   0.091  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.070   2.949  -1.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.710   4.451  -0.917  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.204  -0.311  -0.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.913   0.056   1.654  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.974   1.107   0.686  1.00  0.00           H  
HETATM   48  H   UNL     1       2.306  -5.899   0.457  1.00  0.00           H  
HETATM   49  H   UNL     1       4.097   4.852   0.442  1.00  0.00           H  
CONECT    1   19   21    2    2                                       
CONECT    2    1    1    3   23                                       
CONECT    3   17   17    2   29                                       
CONECT    4    7   24   30   31                                       
CONECT    5    6   25   25   24                                       
CONECT    6    7    5   32   33                                       
CONECT    7    6    8    4   34                                       
CONECT    8    9    7   26   35                                       
CONECT    9    8   36   37   38                                       
CONECT   10   11   11   20   39                                       
CONECT   11   28   10   10   12                                       
CONECT   12   11   27   13   13                                       
CONECT   13   12   12   14   40                                       
CONECT   14   20   20   13   41                                       
CONECT   15   28   42   43   44                                       
CONECT   16   27   45   46   47                                       
CONECT   17   18   20    3    3                                       
CONECT   18   19   19   17                                            
CONECT   19   26   18   18    1                                       
CONECT   20   10   17   14   14                                       
CONECT   21    1   22                                                 
CONECT   22   21   23   23   48                                       
CONECT   23    2   22   22                                            
CONECT   24    5    4   49                                            
CONECT   25    5    5                                                 
CONECT   26    8   19                                                 
CONECT   27   12   16                                                 
CONECT   28   15   11                                                 
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
