COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.816  -0.827  -1.307  1.00  0.00           C  
HETATM    2  C   UNL     1       3.106  -2.124  -0.916  1.00  0.00           C  
HETATM    3  O   UNL     1       3.092  -3.129  -1.831  1.00  0.00           O  
HETATM    4  C   UNL     1       3.412  -2.396   0.414  1.00  0.00           C  
HETATM    5  O   UNL     1       3.697  -3.670   0.799  1.00  0.00           O  
HETATM    6  C   UNL     1       3.428  -1.372   1.345  1.00  0.00           C  
HETATM    7  C   UNL     1       3.138  -0.077   0.955  1.00  0.00           C  
HETATM    8  C   UNL     1       2.832   0.198  -0.370  1.00  0.00           C  
HETATM    9  N   UNL     1       2.545   1.510  -0.764  1.00  0.00           N  
HETATM   10  S   UNL     1       1.502   2.434   0.130  1.00  0.00           S  
HETATM   11  O   UNL     1       1.963   2.374   1.473  1.00  0.00           O  
HETATM   12  O   UNL     1       1.334   3.652  -0.581  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.063   1.624   0.106  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.932   1.835  -0.949  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.159   1.203  -0.973  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.416   0.775   1.140  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.640   0.138   1.126  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.522   0.351   0.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.839  -0.331   0.048  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.716  -0.126  -1.015  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.941  -0.762  -1.029  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.298  -1.603   0.010  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.431  -1.810   1.068  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.202  -1.183   1.089  1.00  0.00           C  
HETATM   25  H   UNL     1       2.583  -0.613  -2.339  1.00  0.00           H  
HETATM   26  H   UNL     1       3.666  -1.584   2.377  1.00  0.00           H  
HETATM   27  H   UNL     1       3.150   0.721   1.683  1.00  0.00           H  
HETATM   28  H   UNL     1       2.957   1.878  -1.561  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.651   2.496  -1.755  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.837   1.369  -1.797  1.00  0.00           H  
HETATM   31  H   UNL     1       0.269   0.610   1.959  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.914  -0.525   1.933  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.439   0.531  -1.827  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.622  -0.604  -1.852  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.257  -2.098  -0.004  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.715  -2.467   1.877  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.523  -1.350   1.913  1.00  0.00           H  
HETATM   38  H   UNL     1       3.943  -3.280  -2.264  1.00  0.00           H  
HETATM   39  H   UNL     1       4.635  -3.898   0.742  1.00  0.00           H  
CONECT    1    2    2    8   25                                       
CONECT    2    3    4    1    1                                       
CONECT    3    2   38                                                 
CONECT    4    5    2    6    6                                       
CONECT    5    4   39                                                 
CONECT    6    4    4    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8   10   28                                            
CONECT   10    9   11   11   13                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   14   16                                       
CONECT   14   13   13   15   29                                       
CONECT   15   14   18   18   30                                       
CONECT   16   13   17   17   31                                       
CONECT   17   16   16   18   32                                       
CONECT   18   15   15   17   19                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   33                                       
CONECT   21   20   20   22   34                                       
CONECT   22   23   23   21   35                                       
CONECT   23   24   22   22   36                                       
CONECT   24   19   19   23   37                                       
CONECT   25    1                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
