COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.361  -1.329   6.206  1.00  0.00           S  
HETATM    2  C   UNL     1       0.059  -0.556   7.110  1.00  0.00           C  
HETATM    3  O   UNL     1       0.052  -0.600   8.326  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.924   0.081   6.454  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.978   0.161   5.068  1.00  0.00           N  
HETATM    6  C   UNL     1       0.030   0.039   4.283  1.00  0.00           C  
HETATM    7  C   UNL     1       1.425  -0.221   4.778  1.00  0.00           C  
HETATM    8  C   UNL     1       2.071   1.103   5.188  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.191   0.155   2.830  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.474   0.391   2.335  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.684   0.501   0.973  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.612   0.371   0.099  1.00  0.00           C  
HETATM   13  C   UNL     1       0.668   0.140   0.590  1.00  0.00           C  
HETATM   14  C   UNL     1       0.883   0.028   1.945  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.799   0.490  -1.282  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.165   0.443  -1.822  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.048   1.335  -0.939  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.082   0.752   0.472  1.00  0.00           C  
HETATM   19  C   UNL     1       0.257   0.638  -2.106  1.00  0.00           C  
HETATM   20  O   UNL     1       1.274   1.166  -1.700  1.00  0.00           O  
HETATM   21  C   UNL     1       0.179   0.161  -3.500  1.00  0.00           C  
HETATM   22  C   UNL     1       1.197   0.473  -4.405  1.00  0.00           C  
HETATM   23  C   UNL     1       1.121   0.021  -5.708  1.00  0.00           C  
HETATM   24  O   UNL     1       2.110   0.322  -6.591  1.00  0.00           O  
HETATM   25  C   UNL     1       0.026  -0.736  -6.120  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.049  -1.176  -7.402  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.985  -1.046  -5.221  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.913  -0.602  -3.918  1.00  0.00           C  
HETATM   29  C   UNL     1       3.072   1.107  -5.882  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.265  -1.917  -7.514  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.628   0.504   6.970  1.00  0.00           H  
HETATM   32  H   UNL     1       2.014  -0.683   3.986  1.00  0.00           H  
HETATM   33  H   UNL     1       3.082   0.918   5.550  1.00  0.00           H  
HETATM   34  H   UNL     1       2.109   1.771   4.327  1.00  0.00           H  
HETATM   35  H   UNL     1       1.480   1.565   5.980  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.305   0.489   3.017  1.00  0.00           H  
HETATM   37  H   UNL     1       1.497   0.043  -0.094  1.00  0.00           H  
HETATM   38  H   UNL     1       1.878  -0.155   2.323  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.170   0.816  -2.846  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.536  -0.581  -1.799  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.634   2.343  -0.909  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.058   1.365  -1.346  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.582   1.455   1.139  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.635  -0.186   0.461  1.00  0.00           H  
HETATM   45  H   UNL     1       2.042   1.064  -4.086  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.829  -1.637  -5.543  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.701  -0.844  -3.221  1.00  0.00           H  
HETATM   48  H   UNL     1       3.888   1.374  -6.553  1.00  0.00           H  
HETATM   49  H   UNL     1       2.596   2.014  -5.509  1.00  0.00           H  
HETATM   50  H   UNL     1       3.464   0.531  -5.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.370  -2.293  -8.532  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.245  -2.756  -6.818  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.109  -1.269  -7.277  1.00  0.00           H  
CONECT    1    2    7                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   31                                            
CONECT    5    4    6    6                                            
CONECT    6    5    5    7    9                                       
CONECT    7    1    6    8   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9    6   10   10   14                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   37                                       
CONECT   14    9   13   13   38                                       
CONECT   15   12   16   19                                            
CONECT   16   15   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   11   17   43   44                                       
CONECT   19   15   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   28                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   29                                                 
CONECT   25   23   23   26   27                                       
CONECT   26   25   30                                                 
CONECT   27   25   28   28   46                                       
CONECT   28   21   27   27   47                                       
CONECT   29   24   48   49   50                                       
CONECT   30   26   51   52   53                                       
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
