COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.497  -2.007  -0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       7.789  -2.677   0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       8.956  -1.699  -0.050  1.00  0.00           C  
HETATM    4  C   UNL     1       8.689  -0.451   0.794  1.00  0.00           C  
HETATM    5  C   UNL     1       7.398   0.219   0.321  1.00  0.00           C  
HETATM    6  C   UNL     1       6.231  -0.759   0.474  1.00  0.00           C  
HETATM    7  C   UNL     1       4.939  -0.089   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       3.754  -1.019   0.270  1.00  0.00           C  
HETATM    9  C   UNL     1       2.482  -0.360  -0.196  1.00  0.00           C  
HETATM   10  O   UNL     1       2.519   0.746  -0.694  1.00  0.00           O  
HETATM   11  N   UNL     1       1.303  -0.998  -0.060  1.00  0.00           N  
HETATM   12  C   UNL     1       0.111  -0.344  -0.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.952  -1.064  -0.918  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.010   1.022  -0.183  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.198   1.673  -0.511  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.330   3.131  -0.293  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.463   3.779  -0.594  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.164   5.472  -0.163  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.508   5.182   0.402  1.00  0.00           C  
HETATM   20  O   UNL     1       0.275   6.001   0.849  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.302   3.865   0.231  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.263   0.948  -1.047  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.137  -0.419  -1.247  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.204  -1.147  -1.779  1.00  0.00           N  
HETATM   25  S   UNL     1      -3.636  -2.596  -1.104  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.759  -3.062  -1.839  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.436  -3.344  -0.959  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.213  -2.261   0.527  1.00  0.00           C  
HETATM   29  S   UNL     1      -3.208  -2.223   1.970  1.00  0.00           S  
HETATM   30  C   UNL     1      -4.604  -1.839   2.968  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.694  -1.764   2.203  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.477  -1.992   0.855  1.00  0.00           C  
HETATM   33  H   UNL     1       6.597  -1.722  -1.417  1.00  0.00           H  
HETATM   34  H   UNL     1       5.666  -2.703  -0.261  1.00  0.00           H  
HETATM   35  H   UNL     1       7.688  -2.961   1.151  1.00  0.00           H  
HETATM   36  H   UNL     1       7.978  -3.566  -0.498  1.00  0.00           H  
HETATM   37  H   UNL     1       9.876  -2.176   0.287  1.00  0.00           H  
HETATM   38  H   UNL     1       9.056  -1.415  -1.097  1.00  0.00           H  
HETATM   39  H   UNL     1       8.589  -0.735   1.841  1.00  0.00           H  
HETATM   40  H   UNL     1       7.208   1.108   0.922  1.00  0.00           H  
HETATM   41  H   UNL     1       6.130  -1.043   1.522  1.00  0.00           H  
HETATM   42  H   UNL     1       4.796   0.847   0.541  1.00  0.00           H  
HETATM   43  H   UNL     1       5.006   0.115  -1.067  1.00  0.00           H  
HETATM   44  H   UNL     1       3.898  -1.955  -0.271  1.00  0.00           H  
HETATM   45  H   UNL     1       3.688  -1.224   1.338  1.00  0.00           H  
HETATM   46  H   UNL     1       1.281  -1.911   0.267  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.857  -2.128  -1.075  1.00  0.00           H  
HETATM   48  H   UNL     1       0.816   1.581   0.233  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.366   3.359  -1.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.184   1.449  -1.302  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.692  -0.803  -2.543  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.582  -1.687   4.037  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.671  -1.538   2.605  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.272  -1.957   0.125  1.00  0.00           H  
HETATM   55  H   UNL     1       9.521   0.246   0.685  1.00  0.00           H  
HETATM   56  H   UNL     1       7.498   0.503  -0.726  1.00  0.00           H  
HETATM   57  H   UNL     1       0.542   3.451   0.473  1.00  0.00           H  
CONECT    1    6    2   33   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    4    2   37   38                                       
CONECT    4    5    3   39   55                                       
CONECT    5    6    4   40   56                                       
CONECT    6    7    5    1   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   46                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12   23   47                                       
CONECT   14   15   15   12   48                                       
CONECT   15   16   14   14   22                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   49                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   16   57                                            
CONECT   22   15   23   23   50                                       
CONECT   23   22   22   13   24                                       
CONECT   24   23   25   51                                            
CONECT   25   24   27   27   28                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   25   32   32                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   28   28   31   54                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57   21                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
