COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.926   2.219   0.911  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.324   1.472  -0.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.279  -0.946  -0.235  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.672  -2.701   0.154  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.152  -1.875  -0.797  1.00  0.00           C  
HETATM    6  C   UNL     1       2.995  -0.652  -0.964  1.00  0.00           C  
HETATM    7  C   UNL     1       4.177  -1.237  -0.233  1.00  0.00           C  
HETATM    8  C   UNL     1       5.463  -2.487   1.068  1.00  0.00           C  
HETATM    9  O   UNL     1       2.671   2.588   0.888  1.00  0.00           O  
HETATM   10  S   UNL     1       2.820   1.985  -0.390  1.00  0.00           S  
HETATM   11  N   UNL     1       2.391   0.404  -0.148  1.00  0.00           N  
HETATM   12  C   UNL     1       1.406   0.062   0.882  1.00  0.00           C  
HETATM   13  C   UNL     1       0.018  -0.039   0.246  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.005  -1.130  -0.676  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.027  -0.273   1.339  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.366  -0.252   0.746  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.142   0.883   0.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.895   3.161   0.639  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.091   2.790   0.044  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.351   0.511  -0.018  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -1.359   0.246  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.545  -3.610  -0.403  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.782  -3.200  -0.878  1.00  0.00           C  
HETATM   24  C   UNL     1       4.139  -2.278   0.617  1.00  0.00           C  
HETATM   25  C   UNL     1       6.231  -1.563   0.463  1.00  0.00           C  
HETATM   26  O   UNL     1       5.447  -0.809  -0.325  1.00  0.00           O  
HETATM   27  C   UNL     1       1.574   2.621  -1.544  1.00  0.00           C  
HETATM   28  O   UNL     1       4.091   1.910  -1.020  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.999   2.518   1.378  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.255   1.186  -0.750  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.711  -3.031   0.521  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.116  -1.558  -1.166  1.00  0.00           H  
HETATM   33  H   UNL     1       3.327  -0.233  -1.913  1.00  0.00           H  
HETATM   34  H   UNL     1       2.259  -1.434  -1.148  1.00  0.00           H  
HETATM   35  H   UNL     1       5.794  -3.244   1.764  1.00  0.00           H  
HETATM   36  H   UNL     1       1.670  -0.895   1.333  1.00  0.00           H  
HETATM   37  H   UNL     1       1.399   0.836   1.649  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.209   0.887  -0.281  1.00  0.00           H  
HETATM   39  H   UNL     1       0.189  -1.989  -0.275  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.852  -1.242   1.807  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.949   0.512   2.091  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.721   4.196   0.892  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.843   3.537  -0.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.263  -4.650  -0.472  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.457  -3.922  -1.313  1.00  0.00           H  
HETATM   46  H   UNL     1       3.266  -2.846   0.901  1.00  0.00           H  
HETATM   47  H   UNL     1       7.297  -1.446   0.591  1.00  0.00           H  
HETATM   48  H   UNL     1       1.862   3.618  -1.877  1.00  0.00           H  
HETATM   49  H   UNL     1       1.503   1.957  -2.405  1.00  0.00           H  
HETATM   50  H   UNL     1       0.607   2.671  -1.043  1.00  0.00           H  
CONECT    1   18   18   17   29                                       
CONECT    2   19   19   20   30                                       
CONECT    3   20   21   21    5                                       
CONECT    4   21   22   22   31                                       
CONECT    5    3   23   23   32                                       
CONECT    6   11    7   33   34                                       
CONECT    7    6   24   24   26                                       
CONECT    8   24   25   25   35                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   28   28                                       
CONECT   10   27   11                                                 
CONECT   11   10   12    6                                            
CONECT   12   13   11   36   37                                       
CONECT   13   14   15   12   38                                       
CONECT   14   13   39                                                 
CONECT   15   16   13   40   41                                       
CONECT   16   17   15   21                                            
CONECT   17    1   20   20   16                                       
CONECT   18   19    1    1   42                                       
CONECT   19   18    2    2   43                                       
CONECT   20    2   17   17    3                                       
CONECT   21   16    3    3    4                                       
CONECT   22    4    4   23   44                                       
CONECT   23    5    5   22   45                                       
CONECT   24    7    7    8   46                                       
CONECT   25   26    8    8   47                                       
CONECT   26    7   25                                                 
CONECT   27   10   48   49   50                                       
CONECT   28   10   10                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
