COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.679   1.863  -0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       0.189   0.779  -0.063  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.617  -0.678  -0.236  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.509   0.355  -0.238  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.328  -0.475  -0.156  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.071   1.626  -0.142  1.00  0.00           C  
HETATM    7  C   UNL     1       1.572   1.213   0.034  1.00  0.00           C  
HETATM    8  S   UNL     1       0.234   3.358   0.079  1.00  0.00           S  
HETATM    9  C   UNL     1       1.725   2.540   0.111  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.086  -1.965  -0.334  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.861   2.556  -0.131  1.00  0.00           O  
HETATM   12  C   UNL     1       2.714   0.268   0.048  1.00  0.00           C  
HETATM   13  N   UNL     1       3.734  -1.664   0.928  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.946   0.081  -0.330  1.00  0.00           C  
HETATM   15  C   UNL     1       2.720  -0.824   0.915  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.146  -3.089  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1       4.775  -1.511   0.132  1.00  0.00           C  
HETATM   18  C   UNL     1       3.800   0.454  -0.811  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.525  -0.080   1.077  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.814  -3.475   1.109  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.779  -4.284  -1.049  1.00  0.00           C  
HETATM   22  C   UNL     1       4.842  -0.457  -0.760  1.00  0.00           C  
HETATM   23  H   UNL     1       2.683   3.033   0.189  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.039  -2.131  -0.404  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.442   0.910  -0.835  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.105  -0.837  -0.896  1.00  0.00           H  
HETATM   27  H   UNL     1       1.885  -0.982   1.582  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.232  -2.798  -0.851  1.00  0.00           H  
HETATM   29  H   UNL     1       5.586  -2.223   0.175  1.00  0.00           H  
HETATM   30  H   UNL     1       3.826   1.286  -1.499  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.594  -0.284   1.008  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.029  -0.909   1.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.366   0.838   1.642  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.115  -4.311   1.110  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.363  -2.624   1.619  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.728  -3.766   1.627  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.015  -4.008  -2.077  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.079  -5.120  -1.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.693  -4.575  -0.531  1.00  0.00           H  
HETATM   40  H   UNL     1       5.699  -0.343  -1.406  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    5    7    1    1                                       
CONECT    3   10    5    5    4                                       
CONECT    4    3   14    6                                            
CONECT    5    3    3    2                                            
CONECT    6    4    1   11   11                                       
CONECT    7   12    2    9    9                                       
CONECT    8    9    1                                                 
CONECT    9    7    7    8   23                                       
CONECT   10   16    3   24                                            
CONECT   11    6    6                                                 
CONECT   12   18   18   15    7                                       
CONECT   13   17   15   15                                            
CONECT   14   19    4   25   26                                       
CONECT   15   13   13   12   27                                       
CONECT   16   21   10   20   28                                       
CONECT   17   22   22   13   29                                       
CONECT   18   22   12   12   30                                       
CONECT   19   14   31   32   33                                       
CONECT   20   16   34   35   36                                       
CONECT   21   16   37   38   39                                       
CONECT   22   17   17   18   40                                       
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
