COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.275   0.434   0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       2.073   0.763   1.432  1.00  0.00           C  
HETATM    3  C   UNL     1       2.631   1.907   1.917  1.00  0.00           C  
HETATM    4  C   UNL     1       3.584   2.469  -0.118  1.00  0.00           C  
HETATM    5  O   UNL     1       1.523  -2.086   1.659  1.00  0.00           O  
HETATM    6  S   UNL     1       0.776  -1.837   0.476  1.00  0.00           S  
HETATM    7  O   UNL     1       0.344  -2.867  -0.402  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.586  -1.020   0.945  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.546  -0.558  -0.060  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.870  -0.209   0.622  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.833   0.254  -0.386  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.119   0.600   0.234  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.094   1.076  -0.844  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.433   1.436  -0.199  1.00  0.00           C  
HETATM   15  C   UNL     1       1.740  -0.728  -0.496  1.00  0.00           C  
HETATM   16  N   UNL     1       3.354   2.712   1.151  1.00  0.00           N  
HETATM   17  C   UNL     1       3.054   1.315  -0.716  1.00  0.00           C  
HETATM   18  C   UNL     1       3.271   1.009  -2.069  1.00  0.00           C  
HETATM   19  C   UNL     1       2.732  -0.125  -2.596  1.00  0.00           C  
HETATM   20  C   UNL     1       1.972  -0.991  -1.812  1.00  0.00           C  
HETATM   21  H   UNL     1       1.487   0.121   2.073  1.00  0.00           H  
HETATM   22  H   UNL     1       2.480   2.165   2.954  1.00  0.00           H  
HETATM   23  H   UNL     1       4.180   3.155  -0.701  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.748  -0.848   1.886  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.151   0.325  -0.561  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.712  -1.348  -0.793  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.265  -1.093   1.123  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.704   0.580   1.355  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.956  -0.435  -1.112  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.530  -0.279   0.733  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.969   1.394   0.965  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.683   1.955  -1.343  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.245   0.282  -1.575  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.128   1.776  -0.967  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.844   0.558   0.300  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.283   2.231   0.532  1.00  0.00           H  
HETATM   37  H   UNL     1       3.861   1.669  -2.688  1.00  0.00           H  
HETATM   38  H   UNL     1       2.899  -0.359  -3.637  1.00  0.00           H  
HETATM   39  H   UNL     1       1.560  -1.886  -2.256  1.00  0.00           H  
CONECT    1   15    2    2   17                                       
CONECT    2    1    1    3   21                                       
CONECT    3    2   16   16   22                                       
CONECT    4   17   17   16   23                                       
CONECT    5    6    6                                                 
CONECT    6    7    7    8    5                                       
CONECT    6    5   15                                                 
CONECT    7    6    6                                                 
CONECT    8    6    9   24                                            
CONECT    9    8   10   25   26                                       
CONECT   10   11    9   27   28                                       
CONECT   11   12   10   29                                            
CONECT   12   13   11   30   31                                       
CONECT   13   14   12   32   33                                       
CONECT   14   13   34   35   36                                       
CONECT   15    6   20   20    1                                       
CONECT   16    3    3    4                                            
CONECT   17    1   18    4    4                                       
CONECT   18   19   19   17   37                                       
CONECT   19   20   18   18   38                                       
CONECT   20   15   15   19   39                                       
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
