COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.957  -1.266   0.519  1.00  0.00           C  
HETATM    2  C   UNL     1       5.089  -1.641  -0.171  1.00  0.00           C  
HETATM    3  C   UNL     1       4.978  -2.255  -1.411  1.00  0.00           C  
HETATM    4  O   UNL     1       6.098  -2.622  -2.088  1.00  0.00           O  
HETATM    5  C   UNL     1       3.726  -2.496  -1.963  1.00  0.00           C  
HETATM    6  C   UNL     1       2.588  -2.125  -1.280  1.00  0.00           C  
HETATM    7  C   UNL     1       2.694  -1.506  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       1.480  -1.113   0.705  1.00  0.00           C  
HETATM    9  C   UNL     1       1.088   0.146   1.020  1.00  0.00           C  
HETATM   10  C   UNL     1       1.789   1.401   0.697  1.00  0.00           C  
HETATM   11  C   UNL     1       1.941   1.797  -0.635  1.00  0.00           C  
HETATM   12  C   UNL     1       2.597   2.972  -0.932  1.00  0.00           C  
HETATM   13  C   UNL     1       3.108   3.762   0.090  1.00  0.00           C  
HETATM   14  O   UNL     1       3.753   4.920  -0.207  1.00  0.00           O  
HETATM   15  C   UNL     1       2.960   3.373   1.415  1.00  0.00           C  
HETATM   16  C   UNL     1       2.300   2.203   1.722  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.233  -0.002   1.781  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.015  -1.287   2.455  1.00  0.00           O  
HETATM   19  C   UNL     1       0.400  -2.043   1.264  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.835  -1.840   0.332  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.282  -0.406   0.699  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.960  -0.404   1.390  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.109  -1.449   2.341  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.374   0.922   1.688  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.928  -0.860   0.126  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.628  -2.146   0.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.077  -0.018  -0.978  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.894   1.352  -0.839  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.042   2.181  -1.934  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.373   1.649  -3.167  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.556   0.286  -3.308  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.404  -0.550  -2.219  1.00  0.00           C  
HETATM   33  H   UNL     1       4.044  -0.792   1.486  1.00  0.00           H  
HETATM   34  H   UNL     1       6.065  -1.456   0.254  1.00  0.00           H  
HETATM   35  H   UNL     1       6.400  -3.519  -1.890  1.00  0.00           H  
HETATM   36  H   UNL     1       3.645  -2.974  -2.928  1.00  0.00           H  
HETATM   37  H   UNL     1       1.615  -2.312  -1.710  1.00  0.00           H  
HETATM   38  H   UNL     1       1.544   1.183  -1.430  1.00  0.00           H  
HETATM   39  H   UNL     1       2.715   3.278  -1.960  1.00  0.00           H  
HETATM   40  H   UNL     1       3.175   5.693  -0.250  1.00  0.00           H  
HETATM   41  H   UNL     1       3.355   3.993   2.207  1.00  0.00           H  
HETATM   42  H   UNL     1       2.186   1.901   2.753  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.510   0.840   2.415  1.00  0.00           H  
HETATM   44  H   UNL     1       0.708  -3.074   1.437  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.545  -1.904  -0.717  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.619  -2.561   0.562  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.219   0.250  -0.169  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.606  -2.014   0.630  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.755  -2.523  -0.848  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.044  -2.859   0.749  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.636   1.768   0.123  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.900   3.246  -1.826  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.489   2.300  -4.021  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.814  -0.126  -4.273  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.543  -1.615  -2.332  1.00  0.00           H  
CONECT    1    2    7    7   33                                       
CONECT    2    3    3    1   34                                       
CONECT    3    4    2    2    5                                       
CONECT    4    3   35                                                 
CONECT    5    3    6    6   36                                       
CONECT    6    5    5    7   37                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   10   17                                       
CONECT   10   16    9   11   11                                       
CONECT   11   10   10   12   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   15   14   12   12                                       
CONECT   14   13   40                                                 
CONECT   15   16   16   13   41                                       
CONECT   16   15   15   10   42                                       
CONECT   17    9   18   21   43                                       
CONECT   18   19   17                                                 
CONECT   19    8   18   20   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   17   20   22   47                                       
CONECT   22   21   23   23   25                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   27                                            
CONECT   26   25   48   49   50                                       
CONECT   27   25   28   28   32                                       
CONECT   28   27   27   29   51                                       
CONECT   29   28   30   30   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   32   32   30   54                                       
CONECT   32   27   31   31   55                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
