COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.029   0.067   0.968  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.221  -0.120   0.598  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.131   0.152   1.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.395   1.206  -1.028  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.451   2.205  -0.890  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.989   0.373  -1.439  1.00  0.00           O  
HETATM    7  N   UNL     1       2.594   3.108   0.608  1.00  0.00           N  
HETATM    8  C   UNL     1       0.872   0.711   1.687  1.00  0.00           C  
HETATM    9  C   UNL     1       3.401   2.104   0.109  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.281   0.882   0.731  1.00  0.00           C  
HETATM   11  C   UNL     1       3.077   0.749   0.313  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.395   2.043  -0.012  1.00  0.00           C  
HETATM   13  N   UNL     1       5.018   0.162  -0.893  1.00  0.00           N  
HETATM   14  C   UNL     1       3.938  -0.230  -0.220  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.283   0.039  -0.283  1.00  0.00           C  
HETATM   16  N   UNL     1       3.405  -1.439   0.115  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.236  -0.973  -0.421  1.00  0.00           N  
HETATM   18  C   UNL     1       5.279   1.440  -1.058  1.00  0.00           C  
HETATM   19  N   UNL     1       4.501   2.394  -0.577  1.00  0.00           N  
HETATM   20  C   UNL     1       3.964  -2.749  -0.229  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.849  -0.598  -0.412  1.00  0.00           S  
HETATM   22  C   UNL     1       4.272  -3.525   1.053  1.00  0.00           C  
HETATM   23  C   UNL     1       2.952  -3.531  -1.068  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.623   0.433   1.396  1.00  0.00           C  
HETATM   25  N   UNL     1       2.234  -1.214   0.850  1.00  0.00           N  
HETATM   26  O   UNL     1      -5.502  -1.858  -0.500  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.129  -1.028   1.176  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.793  -0.533   1.994  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.573   1.086   1.287  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.219   1.333  -1.714  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.537   3.112  -1.469  1.00  0.00           H  
HETATM   32  H   UNL     1       1.840   2.886   1.176  1.00  0.00           H  
HETATM   33  H   UNL     1       2.781   4.034   0.390  1.00  0.00           H  
HETATM   34  H   UNL     1       0.563   0.078   2.519  1.00  0.00           H  
HETATM   35  H   UNL     1       1.178   1.686   2.066  1.00  0.00           H  
HETATM   36  H   UNL     1       0.342   2.826   0.094  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.953  -1.895  -0.521  1.00  0.00           H  
HETATM   38  H   UNL     1       6.164   1.722  -1.609  1.00  0.00           H  
HETATM   39  H   UNL     1       4.882  -2.613  -0.800  1.00  0.00           H  
HETATM   40  H   UNL     1       3.353  -3.661   1.625  1.00  0.00           H  
HETATM   41  H   UNL     1       4.688  -4.499   0.797  1.00  0.00           H  
HETATM   42  H   UNL     1       4.993  -2.968   1.651  1.00  0.00           H  
HETATM   43  H   UNL     1       2.733  -2.978  -1.982  1.00  0.00           H  
HETATM   44  H   UNL     1       3.368  -4.505  -1.324  1.00  0.00           H  
HETATM   45  H   UNL     1       2.034  -3.667  -0.497  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.181  -0.501   1.325  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.793   0.884   2.374  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.961   1.118   0.617  1.00  0.00           H  
CONECT    1    8   11   25   25                                       
CONECT    2   10   10   15   27                                       
CONECT    3   21   24   28   29                                       
CONECT    4    5   15   15   30                                       
CONECT    5    4   12   12   31                                       
CONECT    6   21   21                                                 
CONECT    7    9   32   33                                            
CONECT    8    1   10   34   35                                       
CONECT    9    7   11   11   19                                       
CONECT   10    2    2    8   12                                       
CONECT   11    1    9    9   14                                       
CONECT   12    5    5   10   36                                       
CONECT   13   14   14   18                                            
CONECT   14   11   13   13   16                                       
CONECT   15    2    4    4   17                                       
CONECT   16   14   20   25                                            
CONECT   17   15   21   37                                            
CONECT   18   13   19   19   38                                       
CONECT   19    9   18   18                                            
CONECT   20   16   22   23   39                                       
CONECT   21    3    6    6   17                                       
CONECT   21   26   26                                                 
CONECT   22   20   40   41   42                                       
CONECT   23   20   43   44   45                                       
CONECT   24    3   46   47   48                                       
CONECT   25    1    1   16                                            
CONECT   26   21   21                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
