COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.748  -2.700  -0.929  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.920  -1.647  -0.844  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.991  -1.545  -1.610  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.150  -0.591   0.207  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.525   0.048   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.661   1.269   0.864  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.662   1.887   1.409  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.230   1.462   1.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.079   0.500   0.084  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.707  -0.122   0.111  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.589  -1.326   0.202  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.611   0.659   0.033  1.00  0.00           N  
HETATM   13  C   UNL     1       0.651   0.087   0.057  1.00  0.00           C  
HETATM   14  S   UNL     1       0.954  -1.584   0.174  1.00  0.00           S  
HETATM   15  C   UNL     1       2.697  -1.357   0.130  1.00  0.00           C  
HETATM   16  C   UNL     1       3.702  -2.490   0.180  1.00  0.00           C  
HETATM   17  C   UNL     1       4.799  -2.172   1.195  1.00  0.00           C  
HETATM   18  C   UNL     1       5.932  -1.428   0.494  1.00  0.00           C  
HETATM   19  C   UNL     1       5.364  -0.547  -0.617  1.00  0.00           C  
HETATM   20  C   UNL     1       4.420   0.489  -0.015  1.00  0.00           C  
HETATM   21  C   UNL     1       3.005  -0.061   0.036  1.00  0.00           C  
HETATM   22  C   UNL     1       1.822   0.786  -0.015  1.00  0.00           C  
HETATM   23  C   UNL     1       1.882   2.244  -0.130  1.00  0.00           C  
HETATM   24  O   UNL     1       1.924   2.932   0.873  1.00  0.00           O  
HETATM   25  O   UNL     1       1.891   2.826  -1.347  1.00  0.00           O  
HETATM   26  C   UNL     1       1.952   4.276  -1.384  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.560  -3.351  -1.619  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.100  -1.044   1.198  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.640   0.329  -1.044  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.301  -0.669   0.271  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.653   1.657   1.040  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.873   2.764   2.003  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.608   2.342   1.096  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.907   0.963   2.177  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.218   1.043  -0.851  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.706   1.622  -0.040  1.00  0.00           H  
HETATM   37  H   UNL     1       3.195  -3.410   0.472  1.00  0.00           H  
HETATM   38  H   UNL     1       4.148  -2.621  -0.805  1.00  0.00           H  
HETATM   39  H   UNL     1       4.390  -1.547   1.990  1.00  0.00           H  
HETATM   40  H   UNL     1       5.181  -3.099   1.621  1.00  0.00           H  
HETATM   41  H   UNL     1       6.458  -0.805   1.217  1.00  0.00           H  
HETATM   42  H   UNL     1       6.627  -2.149   0.065  1.00  0.00           H  
HETATM   43  H   UNL     1       6.181  -0.039  -1.130  1.00  0.00           H  
HETATM   44  H   UNL     1       4.818  -1.166  -1.328  1.00  0.00           H  
HETATM   45  H   UNL     1       4.749   0.735   0.994  1.00  0.00           H  
HETATM   46  H   UNL     1       4.433   1.390  -0.629  1.00  0.00           H  
HETATM   47  H   UNL     1       1.953   4.613  -2.421  1.00  0.00           H  
HETATM   48  H   UNL     1       1.085   4.689  -0.869  1.00  0.00           H  
HETATM   49  H   UNL     1       2.863   4.614  -0.891  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    9    5    2   28                                       
CONECT    5    6    4   29   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8    6    6   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10    4   35                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   36                                            
CONECT   13   14   12   22   22                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   21   21                                       
CONECT   16   15   17   37   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   20   18   43   44                                       
CONECT   20   21   19   45   46                                       
CONECT   21   15   15   22   20                                       
CONECT   22   13   13   21   23                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23                                                 
CONECT   26   25   47   48   49                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
