COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.123   2.204   0.913  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.531  -0.831  -0.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.786  -1.193  -1.278  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.904  -2.461  -1.760  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.421  -3.090  -0.127  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.131  -1.473   1.581  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.214   0.743   1.520  1.00  0.00           C  
HETATM    8  C   UNL     1       9.114   0.079   0.259  1.00  0.00           C  
HETATM    9  O   UNL     1       8.082  -0.848   0.601  1.00  0.00           O  
HETATM   10  C   UNL     1       6.821  -0.548   0.193  1.00  0.00           C  
HETATM   11  C   UNL     1       5.773  -1.404   0.492  1.00  0.00           C  
HETATM   12  C   UNL     1       4.488  -1.094   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1       4.254   0.072  -0.641  1.00  0.00           C  
HETATM   14  C   UNL     1       2.857   0.409  -1.095  1.00  0.00           C  
HETATM   15  C   UNL     1       2.124   1.115   0.017  1.00  0.00           C  
HETATM   16  O   UNL     1       2.682   1.324   1.074  1.00  0.00           O  
HETATM   17  N   UNL     1       0.850   1.515  -0.163  1.00  0.00           N  
HETATM   18  C   UNL     1       0.162   1.268  -1.438  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.137   0.502  -1.154  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.863   1.192  -0.078  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.175   1.438   1.197  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.429   1.683  -0.299  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.596   2.856   0.484  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.668   1.643  -1.700  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.468   0.453   0.418  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.698  -3.356  -1.189  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.377  -1.809   0.446  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.048  -0.214   2.094  1.00  0.00           C  
HETATM   29  C   UNL     1       5.300   0.924  -0.937  1.00  0.00           C  
HETATM   30  C   UNL     1       6.581   0.620  -0.517  1.00  0.00           C  
HETATM   31  O   UNL     1       3.458  -1.932   0.365  1.00  0.00           O  
HETATM   32  C   UNL     1       3.772  -3.114   1.104  1.00  0.00           C  
HETATM   33  H   UNL     1       0.738   2.228   1.813  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.113   3.223   0.604  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.134  -0.479  -1.759  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.334  -2.745  -2.633  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.051  -3.854   0.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.782  -2.204   2.037  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.165   1.732   1.950  1.00  0.00           H  
HETATM   40  H   UNL     1      10.068  -0.280   0.643  1.00  0.00           H  
HETATM   41  H   UNL     1       9.171   0.175  -0.826  1.00  0.00           H  
HETATM   42  H   UNL     1       8.888   1.052   0.697  1.00  0.00           H  
HETATM   43  H   UNL     1       5.957  -2.311   1.048  1.00  0.00           H  
HETATM   44  H   UNL     1       2.905   1.060  -1.968  1.00  0.00           H  
HETATM   45  H   UNL     1       2.327  -0.508  -1.354  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.072   2.219  -1.917  1.00  0.00           H  
HETATM   47  H   UNL     1       0.802   0.674  -2.090  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.751   0.478  -2.054  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.900  -0.515  -0.842  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.941   0.488   1.676  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.815   2.032   1.849  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.639   0.046   2.960  1.00  0.00           H  
HETATM   53  H   UNL     1       5.116   1.831  -1.494  1.00  0.00           H  
HETATM   54  H   UNL     1       7.397   1.290  -0.746  1.00  0.00           H  
HETATM   55  H   UNL     1       4.488  -3.714   0.542  1.00  0.00           H  
HETATM   56  H   UNL     1       4.205  -2.838   2.065  1.00  0.00           H  
HETATM   57  H   UNL     1       2.863  -3.693   1.267  1.00  0.00           H  
CONECT    1   17   21   33   34                                       
CONECT    2   27   27    3   25                                       
CONECT    3    4    4    2   35                                       
CONECT    4   26    3    3   36                                       
CONECT    5   26   26   27   37                                       
CONECT    6   27   28   28   38                                       
CONECT    7   28   25   25   39                                       
CONECT    8    9   40   41   42                                       
CONECT    9    8   10                                                 
CONECT   10    9   30   30   11                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   31                                       
CONECT   13   29   29   12   14                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15    1   18                                            
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   21   19   22                                            
CONECT   21    1   20   50   51                                       
CONECT   22   25   20   24   24                                       
CONECT   22   23   23                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    2    7    7   22                                       
CONECT   26    5    5    4                                            
CONECT   27    5    6    2    2                                       
CONECT   28    6    6    7   52                                       
CONECT   29   30   13   13   53                                       
CONECT   30   10   10   29   54                                       
CONECT   31   12   32                                                 
CONECT   32   31   55   56   57                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
