COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.402  -0.017  -0.451  1.00  0.00           C  
HETATM    2  C   UNL     1       2.194   1.462  -0.651  1.00  0.00           C  
HETATM    3  O   UNL     1       2.943   3.583  -1.469  1.00  0.00           O  
HETATM    4  N   UNL     1       1.107  -0.669  -0.242  1.00  0.00           N  
HETATM    5  C   UNL     1       0.599  -1.623  -1.231  1.00  0.00           C  
HETATM    6  C   UNL     1       1.267  -2.983  -1.018  1.00  0.00           C  
HETATM    7  C   UNL     1       0.821  -3.565   0.325  1.00  0.00           C  
HETATM    8  C   UNL     1       0.860  -3.933  -2.146  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.167   0.633   0.599  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.284   0.010   0.075  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.373   0.763  -0.323  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.139   2.009   0.725  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.591   0.084  -0.895  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.694  -0.884  -0.275  1.00  0.00           C  
HETATM   15  C   UNL     1       3.536  -1.744   0.954  1.00  0.00           C  
HETATM   16  O   UNL     1       1.146   1.977  -0.322  1.00  0.00           O  
HETATM   17  N   UNL     1       3.171   2.213  -1.197  1.00  0.00           N  
HETATM   18  S   UNL     1       0.217  -0.328   1.113  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.303  -1.567   1.574  1.00  0.00           O  
HETATM   20  O   UNL     1       1.021   0.524   1.917  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.345   2.139  -0.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.227   2.762   0.328  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.499  -0.234   0.162  1.00  0.00           O  
HETATM   24  C   UNL     1       3.291  -0.245   0.774  1.00  0.00           C  
HETATM   25  C   UNL     1       4.629   0.470   0.572  1.00  0.00           C  
HETATM   26  H   UNL     1       2.883  -0.439  -1.333  1.00  0.00           H  
HETATM   27  H   UNL     1       3.701   4.038  -1.859  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.480  -1.726  -1.115  1.00  0.00           H  
HETATM   29  H   UNL     1       0.824  -1.260  -2.234  1.00  0.00           H  
HETATM   30  H   UNL     1       2.350  -2.860  -1.019  1.00  0.00           H  
HETATM   31  H   UNL     1       1.297  -4.534   0.476  1.00  0.00           H  
HETATM   32  H   UNL     1       1.111  -2.888   1.128  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.262  -3.688   0.326  1.00  0.00           H  
HETATM   34  H   UNL     1       1.178  -3.518  -3.103  1.00  0.00           H  
HETATM   35  H   UNL     1       1.336  -4.902  -1.995  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.223  -4.056  -2.145  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.307  -1.065  -0.024  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.266   2.496   1.135  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.079   0.751  -1.605  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.291  -0.832  -1.403  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.226  -0.237  -0.973  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.438  -1.820  -0.771  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.331  -1.091   0.586  1.00  0.00           H  
HETATM   44  H   UNL     1       4.125  -1.910   1.856  1.00  0.00           H  
HETATM   45  H   UNL     1       2.580  -2.260   1.043  1.00  0.00           H  
HETATM   46  H   UNL     1       4.078  -2.130   0.090  1.00  0.00           H  
HETATM   47  H   UNL     1       4.030   1.814  -1.404  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.196   2.728  -0.506  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.205   3.838   0.427  1.00  0.00           H  
HETATM   50  H   UNL     1       2.797   0.152   1.661  1.00  0.00           H  
HETATM   51  H   UNL     1       5.049   0.189  -0.393  1.00  0.00           H  
HETATM   52  H   UNL     1       4.473   1.548   0.601  1.00  0.00           H  
HETATM   53  H   UNL     1       5.318   0.181   1.366  1.00  0.00           H  
CONECT    1   24    4    2   26                                       
CONECT    2    1   17   16   16                                       
CONECT    3   17   27                                                 
CONECT    4   18    1    5                                            
CONECT    5    4    6   28   29                                       
CONECT    6    5    7    8   30                                       
CONECT    7    6   31   32   33                                       
CONECT    8    6   34   35   36                                       
CONECT    9   18   10   10   12                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   13   21   21                                       
CONECT   12    9   22   22   38                                       
CONECT   13   23   11   39   40                                       
CONECT   14   23   41   42   43                                       
CONECT   15   24   44   45   46                                       
CONECT   16    2    2                                                 
CONECT   17    2    3   47                                            
CONECT   18   20   20   19   19                                       
CONECT   18    9    4                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   11   11   22   48                                       
CONECT   22   12   12   21   49                                       
CONECT   23   14   13                                                 
CONECT   24   25   15    1   50                                       
CONECT   25   24   51   52   53                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
