COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.484   2.921   0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.623   2.182   0.099  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.760  -3.063   0.065  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.208  -1.706   0.082  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.555   0.771   0.060  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.119   0.489   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.807  -0.024   0.079  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.899  -1.385   0.047  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.949  -0.520   0.132  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.396   0.154   0.008  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.206   0.884  -0.010  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.240   2.263   0.021  1.00  0.00           C  
HETATM   13  C   UNL     1       0.110   0.545  -0.059  1.00  0.00           C  
HETATM   14  N   UNL     1       0.804   1.663  -0.052  1.00  0.00           N  
HETATM   15  N   UNL     1       0.014   2.678  -0.005  1.00  0.00           N  
HETATM   16  S   UNL     1       0.764  -1.089  -0.122  1.00  0.00           S  
HETATM   17  C   UNL     1       2.494  -0.816  -0.322  1.00  0.00           C  
HETATM   18  C   UNL     1       3.317  -0.807   0.785  1.00  0.00           C  
HETATM   19  C   UNL     1       4.692  -0.589   0.620  1.00  0.00           C  
HETATM   20  C   UNL     1       5.220  -0.381  -0.680  1.00  0.00           C  
HETATM   21  C   UNL     1       4.351  -0.397  -1.786  1.00  0.00           C  
HETATM   22  C   UNL     1       3.022  -0.615  -1.603  1.00  0.00           C  
HETATM   23  C   UNL     1       5.568  -0.572   1.723  1.00  0.00           C  
HETATM   24  C   UNL     1       6.895  -0.354   1.488  1.00  0.00           C  
HETATM   25  C   UNL     1       7.348  -0.156   0.185  1.00  0.00           C  
HETATM   26  N   UNL     1       6.530  -0.172  -0.839  1.00  0.00           N  
HETATM   27  H   UNL     1      -2.531   4.000   0.112  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.584   2.673   0.142  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.862  -3.426   1.088  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.738  -3.052  -0.416  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.090  -3.721  -0.488  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.390   1.534   0.168  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.074  -2.080   0.001  1.00  0.00           H  
HETATM   34  H   UNL     1       2.905  -0.967   1.771  1.00  0.00           H  
HETATM   35  H   UNL     1       4.740  -0.239  -2.781  1.00  0.00           H  
HETATM   36  H   UNL     1       2.363  -0.630  -2.458  1.00  0.00           H  
HETATM   37  H   UNL     1       5.200  -0.727   2.726  1.00  0.00           H  
HETATM   38  H   UNL     1       7.594  -0.334   2.312  1.00  0.00           H  
HETATM   39  H   UNL     1       8.401   0.015   0.015  1.00  0.00           H  
CONECT    1   12    2    2   27                                       
CONECT    2    1    1    5   28                                       
CONECT    3    4   29   30   31                                       
CONECT    4    3    9    8                                            
CONECT    5    2   10   10    7                                       
CONECT    6    7    9    9   32                                       
CONECT    7    5    6    8    8                                       
CONECT    8    4    7    7   33                                       
CONECT    9    4    6    6                                            
CONECT   10    5    5   11                                            
CONECT   11   10   13   12                                            
CONECT   12    1   11   15   15                                       
CONECT   13   11   16   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   12   12   14                                            
CONECT   16   13   17                                                 
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   34                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20   22   35                                       
CONECT   22   17   17   21   36                                       
CONECT   23   19   24   24   37                                       
CONECT   24   23   23   25   38                                       
CONECT   25   24   26   26   39                                       
CONECT   26   20   25   25                                            
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   18                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
