COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.971   0.741   0.094  1.00  0.00           C  
HETATM    2  C   UNL     1       3.956   1.679  -0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       2.323  -0.089  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.114  -3.590   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.323   0.034  -0.217  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.809   3.226   0.488  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.393   1.923   0.568  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.285   0.885   0.767  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.315   0.994  -0.333  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.737   2.345  -0.385  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.860   3.368  -0.572  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.656  -1.331  -0.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.630  -2.273  -0.033  1.00  0.00           C  
HETATM   14  N   UNL     1       0.642  -1.819   0.010  1.00  0.00           N  
HETATM   15  C   UNL     1       0.908  -0.531  -0.056  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.047   0.387  -0.168  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.429  -3.723  -0.042  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.207  -2.156  -0.184  1.00  0.00           S  
HETATM   19  C   UNL     1       2.633   1.268  -0.072  1.00  0.00           C  
HETATM   20  C   UNL     1       3.344  -1.030   0.102  1.00  0.00           C  
HETATM   21  C   UNL     1       4.667  -0.612   0.157  1.00  0.00           C  
HETATM   22  O   UNL     1       4.258   3.002  -0.088  1.00  0.00           O  
HETATM   23  N   UNL     1       5.692  -1.554   0.275  1.00  0.00           N  
HETATM   24  H   UNL     1       6.001   1.064   0.132  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.454  -4.440   0.109  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.083   1.884   1.411  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.932   1.708  -0.354  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.781   1.068   1.716  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.719  -0.115   0.772  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.208   2.551   0.546  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.041   2.411  -1.222  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.354   3.195  -1.528  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.442   4.374  -0.555  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.953  -4.667  -0.012  1.00  0.00           H  
HETATM   35  H   UNL     1       1.844   1.999  -0.162  1.00  0.00           H  
HETATM   36  H   UNL     1       3.107  -2.082   0.155  1.00  0.00           H  
HETATM   37  H   UNL     1       4.396   3.330  -0.988  1.00  0.00           H  
HETATM   38  H   UNL     1       6.616  -1.262   0.312  1.00  0.00           H  
HETATM   39  H   UNL     1       5.479  -2.499   0.318  1.00  0.00           H  
CONECT    1   21   21    2   24                                       
CONECT    2    1   22   19   19                                       
CONECT    3   20   20   19   15                                       
CONECT    4   13   17   17   25                                       
CONECT    5   16   16   12    9                                       
CONECT    6   11    7                                                 
CONECT    7    8    6   26   27                                       
CONECT    8    9    7   28   29                                       
CONECT    9    5   10    8                                            
CONECT   10    9   11   30   31                                       
CONECT   11   10    6   32   33                                       
CONECT   12   13   13    5   18                                       
CONECT   13   14    4   12   12                                       
CONECT   14   15   15   13                                            
CONECT   15    3   14   14   16                                       
CONECT   16   15    5    5                                            
CONECT   17    4    4   18   34                                       
CONECT   18   17   12                                                 
CONECT   19    2    2    3   35                                       
CONECT   20   21    3    3   36                                       
CONECT   21   23    1    1   20                                       
CONECT   22    2   37                                                 
CONECT   23   21   38   39                                            
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
