COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.163  -2.130  -2.574  1.00  0.00           C  
HETATM    2  C   UNL     1       4.033  -1.795  -1.289  1.00  0.00           C  
HETATM    3  C   UNL     1       3.746  -0.409  -0.920  1.00  0.00           C  
HETATM    4  C   UNL     1       3.599  -0.030   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1       4.874   2.033   0.762  1.00  0.00           C  
HETATM    6  C   UNL     1       4.951   3.532   0.901  1.00  0.00           C  
HETATM    7  C   UNL     1       2.247  -0.521   1.052  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.109  -0.412   0.623  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.149   0.288  -0.255  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.548  -0.193   0.142  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.608  -1.718   0.010  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.512  -2.341   0.878  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.526  -3.861   0.705  1.00  0.00           C  
HETATM   14  N   UNL     1       3.674   1.427   0.666  1.00  0.00           N  
HETATM   15  O   UNL     1       5.891   1.373   0.738  1.00  0.00           O  
HETATM   16  O   UNL     1       1.202  -0.010   0.221  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.059   1.702  -0.067  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.520   0.400  -0.722  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.218   2.005  -1.042  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.329   1.451   1.228  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.119   2.780  -0.298  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.404  -2.087  -1.355  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.583  -4.451   1.601  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.240  -1.828   0.477  1.00  0.00           O  
HETATM   25  O   UNL     1       3.625   0.436  -1.783  1.00  0.00           O  
HETATM   26  S   UNL     1      -4.151   1.669  -0.165  1.00  0.00           S  
HETATM   27  H   UNL     1       4.375  -3.154  -2.846  1.00  0.00           H  
HETATM   28  H   UNL     1       4.052  -1.379  -3.342  1.00  0.00           H  
HETATM   29  H   UNL     1       4.140  -2.547  -0.521  1.00  0.00           H  
HETATM   30  H   UNL     1       4.400  -0.491   1.109  1.00  0.00           H  
HETATM   31  H   UNL     1       5.995   3.837   0.965  1.00  0.00           H  
HETATM   32  H   UNL     1       4.488   4.001   0.033  1.00  0.00           H  
HETATM   33  H   UNL     1       4.426   3.841   1.805  1.00  0.00           H  
HETATM   34  H   UNL     1       2.224  -1.611   1.035  1.00  0.00           H  
HETATM   35  H   UNL     1       2.102  -0.171   2.074  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.270  -0.138   1.666  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.964   0.048  -1.302  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.754   0.094   1.173  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.583  -2.075   0.342  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.691  -2.092   1.924  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.523  -4.242   0.925  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.259  -4.112  -0.322  1.00  0.00           H  
HETATM   43  H   UNL     1       2.861   1.954   0.685  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.197   2.075  -0.294  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.425  -3.041  -1.512  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.538  -5.416   1.546  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.421   3.638   0.030  1.00  0.00           H  
CONECT    1    2    2   27   28                                       
CONECT    2    3    1    1   29                                       
CONECT    3    4   25   25    2                                       
CONECT    4    7   14    3   30                                       
CONECT    5   14   15   15    6                                       
CONECT    6    5   31   32   33                                       
CONECT    7   16    4   34   35                                       
CONECT    8   24    9   16   36                                       
CONECT    9   10    8   17   37                                       
CONECT   10   11   18    9   38                                       
CONECT   11   12   22   10   39                                       
CONECT   12   13   11   24   40                                       
CONECT   13   23   12   41   42                                       
CONECT   14    4    5   43                                            
CONECT   15    5    5                                                 
CONECT   16    8    7                                                 
CONECT   17    9   44                                                 
CONECT   18   26   10                                                 
CONECT   19   26   26                                                 
CONECT   20   26   26                                                 
CONECT   21   26   47                                                 
CONECT   22   11   45                                                 
CONECT   23   13   46                                                 
CONECT   24   12    8                                                 
CONECT   25    3    3                                                 
CONECT   26   20   20   19   19                                       
CONECT   26   21   18                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   21                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
