COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.724  -3.538   0.913  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.597  -3.298  -1.491  1.00  0.00           C  
HETATM    3  C   UNL     1       0.891   0.574   0.082  1.00  0.00           C  
HETATM    4  C   UNL     1       3.259   3.496   0.239  1.00  0.00           C  
HETATM    5  C   UNL     1       4.547   1.594  -0.011  1.00  0.00           C  
HETATM    6  C   UNL     1       3.861  -0.589  -0.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.669   3.845   0.915  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.861   0.997   0.303  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.669   0.673   1.562  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.065   0.057   0.219  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.490   0.384   0.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.153  -1.477  -0.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.113  -3.079   2.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.538  -5.050   0.760  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.413  -4.812  -1.620  1.00  0.00           C  
HETATM   16  C   UNL     1       2.129   1.387   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1       2.078   2.775   0.228  1.00  0.00           C  
HETATM   18  C   UNL     1       3.395   0.786  -0.031  1.00  0.00           C  
HETATM   19  C   UNL     1       5.202  -0.540  -0.261  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.361   1.185   0.199  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.479   2.834  -0.774  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.352  -0.926   0.052  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.053  -2.852  -0.200  1.00  0.00           N  
HETATM   24  N   UNL     1       0.952  -0.750  -0.049  1.00  0.00           N  
HETATM   25  N   UNL     1       4.431   2.908   0.122  1.00  0.00           N  
HETATM   26  N   UNL     1       5.628   0.756  -0.153  1.00  0.00           N  
HETATM   27  O   UNL     1      -1.045  -5.461  -0.513  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.276   2.859  -1.583  1.00  0.00           O  
HETATM   29  S   UNL     1      -3.043   2.658  -0.404  1.00  0.00           S  
HETATM   30  H   UNL     1      -1.787  -3.299   0.900  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.069  -2.797  -2.302  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.658  -3.055  -1.543  1.00  0.00           H  
HETATM   33  H   UNL     1       3.217   4.571   0.340  1.00  0.00           H  
HETATM   34  H   UNL     1       3.246  -1.475  -0.243  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.852   4.858   0.555  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.306   3.645   1.776  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.623   3.747   1.206  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.208   0.017   2.300  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.309   1.458   1.965  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.967   0.437  -0.262  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.866  -1.004   0.073  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.172  -1.993   2.309  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.662  -3.528   3.066  1.00  0.00           H  
HETATM   44  H   UNL     1       0.931  -3.389   2.284  1.00  0.00           H  
HETATM   45  H   UNL     1       0.522  -5.295   0.826  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.082  -5.565   1.551  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.866  -5.156  -2.550  1.00  0.00           H  
HETATM   48  H   UNL     1       0.651  -5.051  -1.624  1.00  0.00           H  
HETATM   49  H   UNL     1       1.128   3.280   0.321  1.00  0.00           H  
HETATM   50  H   UNL     1       5.849  -1.397  -0.381  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.446   2.256   0.303  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.881   2.259  -1.444  1.00  0.00           H  
HETATM   53  H   UNL     1       6.554   1.041  -0.177  1.00  0.00           H  
CONECT    1   14   13   23   30                                       
CONECT    2   15   23   31   32                                       
CONECT    3   24   16   20   20                                       
CONECT    4   25   25   17   33                                       
CONECT    5   26   18   18   25                                       
CONECT    6   19   19   18   34                                       
CONECT    7   29   35   36   37                                       
CONECT    8   11   29    9   10                                       
CONECT    9    8   10   38   39                                       
CONECT   10    8    9   40   41                                       
CONECT   11   22   22   20    8                                       
CONECT   12   23   24   24   22                                       
CONECT   13    1   42   43   44                                       
CONECT   14   27    1   45   46                                       
CONECT   15   27    2   47   48                                       
CONECT   16   18    3   17   17                                       
CONECT   17   16   16    4   49                                       
CONECT   18    6    5    5   16                                       
CONECT   19   26    6    6   50                                       
CONECT   20    3    3   11   51                                       
CONECT   21   29   29   52                                            
CONECT   22   12   11   11                                            
CONECT   23    1    2   12                                            
CONECT   24   12   12    3                                            
CONECT   25    5    4    4                                            
CONECT   26   19    5   53                                            
CONECT   27   14   15                                                 
CONECT   28   29   29                                                 
CONECT   29   28   28    7    8                                       
CONECT   29   21   21                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
