COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.421  -0.359   0.389  1.00  0.00           O  
HETATM    2  C   UNL     1       4.635  -1.095  -0.160  1.00  0.00           C  
HETATM    3  O   UNL     1       5.071  -2.215  -0.758  1.00  0.00           O  
HETATM    4  C   UNL     1       3.166  -0.761  -0.166  1.00  0.00           C  
HETATM    5  C   UNL     1       2.939   0.553   0.585  1.00  0.00           C  
HETATM    6  C   UNL     1       1.464   0.946   0.491  1.00  0.00           C  
HETATM    7  C   UNL     1       1.213   2.163   1.343  1.00  0.00           C  
HETATM    8  O   UNL     1       1.071   2.035   2.672  1.00  0.00           O  
HETATM    9  O   UNL     1       1.139   3.255   0.830  1.00  0.00           O  
HETATM   10  N   UNL     1       1.126   1.247  -0.902  1.00  0.00           N  
HETATM   11  S   UNL     1      -0.448   1.159  -1.410  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.207   1.949  -0.504  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.430   1.386  -2.812  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.946  -0.406  -1.196  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.169  -0.925   0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.294  -2.130   0.382  1.00  0.00           C  
HETATM   17  O   UNL     1       0.134  -2.426   1.620  1.00  0.00           O  
HETATM   18  O   UNL     1       0.024  -2.830  -0.550  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.638  -1.325   0.313  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.520  -0.079   0.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.966  -0.473   0.361  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.261  -1.631   0.537  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.927   0.463   0.302  1.00  0.00           O  
HETATM   24  H   UNL     1       6.022  -2.389  -0.725  1.00  0.00           H  
HETATM   25  H   UNL     1       2.822  -0.656  -1.194  1.00  0.00           H  
HETATM   26  H   UNL     1       2.609  -1.560   0.324  1.00  0.00           H  
HETATM   27  H   UNL     1       3.216   0.426   1.632  1.00  0.00           H  
HETATM   28  H   UNL     1       3.553   1.337   0.140  1.00  0.00           H  
HETATM   29  H   UNL     1       0.845   0.121   0.845  1.00  0.00           H  
HETATM   30  H   UNL     1       0.912   2.844   3.177  1.00  0.00           H  
HETATM   31  H   UNL     1       1.824   1.497  -1.527  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.090  -0.979  -1.965  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.923  -0.154   0.887  1.00  0.00           H  
HETATM   34  H   UNL     1       0.693  -3.209   1.716  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.908  -2.030  -0.474  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.785  -1.792   1.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.250   0.626   0.993  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.373   0.389  -0.767  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.840   0.162   0.406  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   24                                                 
CONECT    4    5    2   25   26                                       
CONECT    5    4    6   27   28                                       
CONECT    6   10    5    7   29                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   30                                                 
CONECT    9    7    7                                                 
CONECT   10   11    6   31                                            
CONECT   11   13   13   14   10                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   15   11   32                                            
CONECT   15   16   19   14   33                                       
CONECT   16   18   18   17   15                                       
CONECT   17   16   34                                                 
CONECT   18   16   16                                                 
CONECT   19   20   15   35   36                                       
CONECT   20   21   19   37   38                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21   39                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
