COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.017   2.208  -1.314  1.00  0.00           C  
HETATM    2  C   UNL     1       4.722   1.453  -0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       3.773   0.338  -0.056  1.00  0.00           C  
HETATM    4  C   UNL     1       4.070  -1.005  -0.193  1.00  0.00           C  
HETATM    5  C   UNL     1       5.449  -1.590  -0.358  1.00  0.00           C  
HETATM    6  C   UNL     1       1.853  -0.854   0.010  1.00  0.00           C  
HETATM    7  C   UNL     1       2.315   0.420   0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       1.493   1.671   0.261  1.00  0.00           C  
HETATM    9  C   UNL     1       0.434  -1.262   0.101  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.037  -2.406  -0.439  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.689  -1.002   0.733  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.865  -0.323   1.386  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.185   1.863   0.245  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.102   2.374  -0.848  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.503   0.194  -0.400  1.00  0.00           C  
HETATM   16  N   UNL     1       2.919  -1.702  -0.154  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.513   0.567   0.419  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.921   1.199  -1.191  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.487  -0.539   0.723  1.00  0.00           N  
HETATM   20  O   UNL     1       5.273   1.770   0.992  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.330   2.487   0.836  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.973  -0.926  -0.425  1.00  0.00           O  
HETATM   23  S   UNL     1      -1.764  -2.494  -0.098  1.00  0.00           S  
HETATM   24  H   UNL     1       4.503   1.729  -2.148  1.00  0.00           H  
HETATM   25  H   UNL     1       4.668   3.236  -1.215  1.00  0.00           H  
HETATM   26  H   UNL     1       6.091   2.204  -1.498  1.00  0.00           H  
HETATM   27  H   UNL     1       5.733  -1.560  -1.410  1.00  0.00           H  
HETATM   28  H   UNL     1       6.162  -1.010   0.228  1.00  0.00           H  
HETATM   29  H   UNL     1       5.450  -2.624  -0.011  1.00  0.00           H  
HETATM   30  H   UNL     1       1.204   2.061  -0.715  1.00  0.00           H  
HETATM   31  H   UNL     1       0.598   1.436   0.838  1.00  0.00           H  
HETATM   32  H   UNL     1       2.082   2.419   0.792  1.00  0.00           H  
HETATM   33  H   UNL     1       0.541  -3.138  -0.983  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.579  -1.076   1.722  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.520   0.258   2.241  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.730   3.183  -0.474  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.524   2.707  -1.709  1.00  0.00           H  
HETATM   38  H   UNL     1       2.853  -2.667  -0.228  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.624   1.157  -1.858  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2   20   20    3    1                                       
CONECT    3    4    4    2    7                                       
CONECT    4    5   16    3    3                                       
CONECT    5    4   27   28   29                                       
CONECT    6   16    7    7    9                                       
CONECT    7    3    6    6    8                                       
CONECT    8    7   30   31   32                                       
CONECT    9   19    6   10   10                                       
CONECT   10    9    9   23   33                                       
CONECT   11   19   19   12   23                                       
CONECT   12   11   17   34   35                                       
CONECT   13   17   21   21   14                                       
CONECT   14   13   18   36   37                                       
CONECT   15   22   22   17   18                                       
CONECT   16    4    6   38                                            
CONECT   17   12   15   13                                            
CONECT   18   15   14   39                                            
CONECT   19    9   11   11                                            
CONECT   20    2    2                                                 
CONECT   21   13   13                                                 
CONECT   22   15   15                                                 
CONECT   23   11   10                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
