COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.639   1.733  -0.699  1.00  0.00           O  
HETATM    2  C   UNL     1       0.556   1.573  -0.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.189   2.719   0.410  1.00  0.00           C  
HETATM    4  S   UNL     1      -1.649   2.402   1.201  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.859   4.073   1.511  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.821   4.826   1.009  1.00  0.00           C  
HETATM    7  C   UNL     1       0.161   4.021   0.362  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.041   0.292   0.049  1.00  0.00           N  
HETATM    9  C   UNL     1       0.423  -0.943  -0.316  1.00  0.00           C  
HETATM   10  S   UNL     1       1.934  -0.987  -1.120  1.00  0.00           S  
HETATM   11  C   UNL     1       1.874  -2.684  -1.249  1.00  0.00           C  
HETATM   12  C   UNL     1       0.725  -3.220  -0.699  1.00  0.00           C  
HETATM   13  C   UNL     1       0.462  -4.695  -0.682  1.00  0.00           C  
HETATM   14  C   UNL     1       1.362  -5.452  -1.684  1.00  0.00           C  
HETATM   15  C   UNL     1       1.275  -6.958  -1.448  1.00  0.00           C  
HETATM   16  C   UNL     1       2.824  -4.965  -1.589  1.00  0.00           C  
HETATM   17  C   UNL     1       2.952  -3.470  -1.925  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.114  -2.202  -0.154  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.380  -2.423   0.500  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.364  -2.617   1.729  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.566  -2.427  -0.268  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.874  -2.659   0.328  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.213  -4.111   0.331  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.559  -2.197  -1.711  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.701  -0.747  -2.025  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.958   0.296   0.535  1.00  0.00           H  
HETATM   27  H   UNL     1       1.059   4.409  -0.102  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.731   4.423   2.045  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.767   5.903   1.103  1.00  0.00           H  
HETATM   30  H   UNL     1       2.862  -3.334  -3.010  1.00  0.00           H  
HETATM   31  H   UNL     1       3.945  -3.114  -1.627  1.00  0.00           H  
HETATM   32  H   UNL     1       0.644  -5.065   0.336  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.592  -4.890  -0.915  1.00  0.00           H  
HETATM   34  H   UNL     1       1.000  -5.253  -2.702  1.00  0.00           H  
HETATM   35  H   UNL     1       1.439  -7.191  -0.391  1.00  0.00           H  
HETATM   36  H   UNL     1       0.289  -7.336  -1.736  1.00  0.00           H  
HETATM   37  H   UNL     1       2.032  -7.484  -2.038  1.00  0.00           H  
HETATM   38  H   UNL     1       3.463  -5.542  -2.268  1.00  0.00           H  
HETATM   39  H   UNL     1       3.199  -5.143  -0.572  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.850  -2.269   1.350  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.609  -2.091  -0.249  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.616  -2.585  -2.106  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.385  -2.770  -2.143  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.256  -4.505  -0.690  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.477  -4.682   0.908  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.196  -4.262   0.793  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.652  -0.356  -1.647  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.876  -0.171  -1.592  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.683  -0.599  -3.112  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   28                                       
CONECT    6    5    5    7   29                                       
CONECT    7    3    3    6   27                                       
CONECT    8    2    9   26                                            
CONECT    9    8   10   18   18                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   14   32   33                                       
CONECT   14   13   15   16   34                                       
CONECT   15   14   35   36   37                                       
CONECT   16   14   17   38   39                                       
CONECT   17   11   16   30   31                                       
CONECT   18    9    9   12   19                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   24                                            
CONECT   22   21   23   40   41                                       
CONECT   23   22   44   45   46                                       
CONECT   24   21   25   42   43                                       
CONECT   25   24   47   48   49                                       
CONECT   26    8                                                      
CONECT   27    7                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
