COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.888   0.653  -0.037  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.651  -0.210   0.217  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.390   0.613  -0.059  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.153  -0.250   0.196  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.892   0.573  -0.080  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.655  -0.290   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1       0.606   0.532  -0.101  1.00  0.00           C  
HETATM    8  C   UNL     1       1.843  -0.330   0.154  1.00  0.00           C  
HETATM    9  C   UNL     1       3.104   0.492  -0.122  1.00  0.00           C  
HETATM   10  C   UNL     1       4.341  -0.371   0.133  1.00  0.00           C  
HETATM   11  C   UNL     1       5.602   0.452  -0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       6.840  -0.411   0.112  1.00  0.00           C  
HETATM   13  C   UNL     1       8.100   0.411  -0.164  1.00  0.00           C  
HETATM   14  C   UNL     1       9.338  -0.451   0.091  1.00  0.00           C  
HETATM   15  C   UNL     1      10.598   0.371  -0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      11.836  -0.492   0.070  1.00  0.00           C  
HETATM   17  S   UNL     1      -8.383  -0.322   0.289  1.00  0.00           S  
HETATM   18  O   UNL     1      -8.600  -1.229  -0.782  1.00  0.00           O  
HETATM   19  O   UNL     1      -9.450   0.717  -0.023  1.00  0.00           O  
HETATM   20  H   UNL     1      -6.869   1.520   0.623  1.00  0.00           H  
HETATM   21  H   UNL     1      -6.892   0.986  -1.075  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.670  -1.077  -0.443  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.647  -0.543   1.255  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.371   1.480   0.601  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.394   0.946  -1.096  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.172  -1.117  -0.464  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.149  -0.583   1.234  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.873   1.440   0.580  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.896   0.906  -1.117  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.674  -1.157  -0.485  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.651  -0.623   1.213  1.00  0.00           H  
HETATM   32  H   UNL     1       0.625   1.399   0.559  1.00  0.00           H  
HETATM   33  H   UNL     1       0.602   0.865  -1.138  1.00  0.00           H  
HETATM   34  H   UNL     1       1.824  -1.198  -0.506  1.00  0.00           H  
HETATM   35  H   UNL     1       1.847  -0.664   1.192  1.00  0.00           H  
HETATM   36  H   UNL     1       3.123   1.359   0.538  1.00  0.00           H  
HETATM   37  H   UNL     1       3.100   0.825  -1.160  1.00  0.00           H  
HETATM   38  H   UNL     1       4.322  -1.238  -0.527  1.00  0.00           H  
HETATM   39  H   UNL     1       4.345  -0.704   1.171  1.00  0.00           H  
HETATM   40  H   UNL     1       5.621   1.319   0.517  1.00  0.00           H  
HETATM   41  H   UNL     1       5.598   0.785  -1.181  1.00  0.00           H  
HETATM   42  H   UNL     1       6.820  -1.278  -0.548  1.00  0.00           H  
HETATM   43  H   UNL     1       6.843  -0.744   1.150  1.00  0.00           H  
HETATM   44  H   UNL     1       8.119   1.279   0.496  1.00  0.00           H  
HETATM   45  H   UNL     1       8.097   0.745  -1.202  1.00  0.00           H  
HETATM   46  H   UNL     1       9.318  -1.319  -0.569  1.00  0.00           H  
HETATM   47  H   UNL     1       9.341  -0.784   1.129  1.00  0.00           H  
HETATM   48  H   UNL     1      10.618   1.238   0.475  1.00  0.00           H  
HETATM   49  H   UNL     1      10.595   0.704  -1.223  1.00  0.00           H  
HETATM   50  H   UNL     1      11.839  -0.825   1.107  1.00  0.00           H  
HETATM   51  H   UNL     1      11.816  -1.359  -0.590  1.00  0.00           H  
HETATM   52  H   UNL     1      12.734   0.094  -0.127  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.306   0.291   0.122  1.00  0.00           H  
CONECT    1    2   17   20   21                                       
CONECT    2    1    3   22   23                                       
CONECT    3    2    4   24   25                                       
CONECT    4    3    5   26   27                                       
CONECT    5    4    6   28   29                                       
CONECT    6    5    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   50   51   52                                       
CONECT   17    1   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   53                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
