COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.385   0.119   0.933  1.00  0.00           C  
HETATM    2  C   UNL     1       3.996   0.295   1.569  1.00  0.00           C  
HETATM    3  C   UNL     1       2.993   1.451   1.570  1.00  0.00           C  
HETATM    4  C   UNL     1       1.571   0.888   1.656  1.00  0.00           C  
HETATM    5  C   UNL     1       2.340  -1.179   0.420  1.00  0.00           C  
HETATM    6  C   UNL     1       3.753  -0.593   0.347  1.00  0.00           C  
HETATM    7  C   UNL     1       2.045  -1.943  -0.845  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.614  -0.174  -0.176  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.892   0.930  -0.905  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.575   1.237  -0.190  1.00  0.00           C  
HETATM   11  C   UNL     1       0.095   2.444  -0.852  1.00  0.00           C  
HETATM   12  C   UNL     1       0.338   0.042  -0.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.504  -1.480  -0.615  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.166  -2.493   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.938  -2.199   1.162  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.042  -0.894   1.606  1.00  0.00           C  
HETATM   17  N   UNL     1       1.378  -0.079   0.566  1.00  0.00           N  
HETATM   18  O   UNL     1       0.137  -0.811  -1.121  1.00  0.00           O  
HETATM   19  O   UNL     1       1.703  -3.240  -0.782  1.00  0.00           O  
HETATM   20  O   UNL     1       2.115  -1.389  -1.916  1.00  0.00           O  
HETATM   21  S   UNL     1      -0.964   3.904  -0.661  1.00  0.00           S  
HETATM   22  H   UNL     1      -3.470   1.140   1.277  1.00  0.00           H  
HETATM   23  H   UNL     1       5.010   0.695   1.533  1.00  0.00           H  
HETATM   24  H   UNL     1       3.871  -0.295   2.477  1.00  0.00           H  
HETATM   25  H   UNL     1       3.181   2.096   2.428  1.00  0.00           H  
HETATM   26  H   UNL     1       3.101   2.027   0.651  1.00  0.00           H  
HETATM   27  H   UNL     1       1.434   0.389   2.616  1.00  0.00           H  
HETATM   28  H   UNL     1       0.850   1.699   1.560  1.00  0.00           H  
HETATM   29  H   UNL     1       2.266  -1.849   1.277  1.00  0.00           H  
HETATM   30  H   UNL     1       3.854   0.002  -0.561  1.00  0.00           H  
HETATM   31  H   UNL     1       4.483  -1.402   0.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.685   0.615  -1.928  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.515   1.824  -0.919  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.774   1.462   0.858  1.00  0.00           H  
HETATM   35  H   UNL     1       1.059   2.629  -0.377  1.00  0.00           H  
HETATM   36  H   UNL     1       0.245   2.239  -1.912  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.901  -1.709  -1.482  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.080  -3.513  -0.290  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.456  -2.990   1.684  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.645  -0.665   2.472  1.00  0.00           H  
HETATM   41  H   UNL     1       1.523  -3.688  -1.620  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.262   4.870  -1.279  1.00  0.00           H  
CONECT    1   16    8    8   22                                       
CONECT    2    6    3   23   24                                       
CONECT    3    4    2   25   26                                       
CONECT    4   17    3   27   28                                       
CONECT    5    6    7   17   29                                       
CONECT    6    5    2   30   31                                       
CONECT    7   20   20    5   19                                       
CONECT    8    1    1   13    9                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   12   11   34                                       
CONECT   11   10   21   35   36                                       
CONECT   12   18   18   17   10                                       
CONECT   13   14   14    8   37                                       
CONECT   14   15   13   13   38                                       
CONECT   15   16   16   14   39                                       
CONECT   16   15   15    1   40                                       
CONECT   17    5   12    4                                            
CONECT   18   12   12                                                 
CONECT   19    7   41                                                 
CONECT   20    7    7                                                 
CONECT   21   11   42                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
