COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.588   2.656  -1.825  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.045   1.681  -2.694  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.174   0.377  -2.266  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.840   0.041  -0.952  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.384   1.030  -0.079  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.255   2.330  -0.522  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.961   0.617   1.581  1.00  0.00           S  
HETATM    8  N   UNL     1      -0.755  -0.516   1.517  1.00  0.00           N  
HETATM    9  C   UNL     1       0.424  -0.214   0.937  1.00  0.00           C  
HETATM   10  N   UNL     1       1.369  -1.164   0.798  1.00  0.00           N  
HETATM   11  C   UNL     1       2.620  -0.829   0.306  1.00  0.00           C  
HETATM   12  N   UNL     1       3.519  -1.781   0.069  1.00  0.00           N  
HETATM   13  C   UNL     1       4.712  -1.462  -0.401  1.00  0.00           C  
HETATM   14  N   UNL     1       5.017  -0.197  -0.636  1.00  0.00           N  
HETATM   15  C   UNL     1       4.123   0.758  -0.401  1.00  0.00           C  
HETATM   16  N   UNL     1       2.922   0.441   0.066  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.365   1.784   2.129  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.094  -0.055   2.112  1.00  0.00           O  
HETATM   19  O   UNL     1       0.634   0.916   0.541  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.976  -1.355  -0.486  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.395  -2.311  -1.337  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.634  -3.659  -0.853  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.709  -1.640   0.664  1.00  0.00           O  
HETATM   24  O   UNL     1       4.436   2.052  -0.642  1.00  0.00           O  
HETATM   25  C   UNL     1       3.334   2.837  -0.182  1.00  0.00           C  
HETATM   26  C   UNL     1       5.728  -2.542  -0.669  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.489   3.677  -2.166  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.302   1.943  -3.710  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.531  -0.383  -2.945  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.898   3.096   0.150  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.897  -1.398   1.896  1.00  0.00           H  
HETATM   32  H   UNL     1       1.174  -2.082   1.041  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.694  -4.096  -0.516  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.338  -3.627  -0.021  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.050  -4.266  -1.657  1.00  0.00           H  
HETATM   36  H   UNL     1       2.418   2.496  -0.667  1.00  0.00           H  
HETATM   37  H   UNL     1       3.235   2.727   0.898  1.00  0.00           H  
HETATM   38  H   UNL     1       3.506   3.885  -0.427  1.00  0.00           H  
HETATM   39  H   UNL     1       5.620  -2.896  -1.694  1.00  0.00           H  
HETATM   40  H   UNL     1       6.732  -2.140  -0.527  1.00  0.00           H  
HETATM   41  H   UNL     1       5.568  -3.371   0.020  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   20                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   30                                       
CONECT    7    5    8   17   17                                       
CONECT    7   18   18                                                 
CONECT    8    7    9   31                                            
CONECT    9    8   10   19   19                                       
CONECT   10    9   11   32                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   26                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   24                                       
CONECT   16   11   15   15                                            
CONECT   17    7    7                                                 
CONECT   18    7    7                                                 
CONECT   19    9    9                                                 
CONECT   20    4   21   23   23                                       
CONECT   21   20   22                                                 
CONECT   22   21   33   34   35                                       
CONECT   23   20   20                                                 
CONECT   24   15   25                                                 
CONECT   25   24   36   37   38                                       
CONECT   26   13   39   40   41                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   25                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
