COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.567   0.791  -2.315  1.00  0.00           O  
HETATM    2  C   UNL     1       2.699   0.772  -0.892  1.00  0.00           C  
HETATM    3  C   UNL     1       3.836  -0.174  -0.497  1.00  0.00           C  
HETATM    4  C   UNL     1       5.155   0.347  -1.071  1.00  0.00           C  
HETATM    5  O   UNL     1       6.196  -0.595  -0.802  1.00  0.00           O  
HETATM    6  O   UNL     1       3.928  -0.236   0.928  1.00  0.00           O  
HETATM    7  C   UNL     1       2.752  -0.737   1.567  1.00  0.00           C  
HETATM    8  O   UNL     1       2.961  -0.782   2.980  1.00  0.00           O  
HETATM    9  C   UNL     1       1.571   0.186   1.255  1.00  0.00           C  
HETATM   10  O   UNL     1       0.382  -0.343   1.845  1.00  0.00           O  
HETATM   11  C   UNL     1       1.392   0.277  -0.264  1.00  0.00           C  
HETATM   12  S   UNL     1       0.055   1.441  -0.648  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.411   0.619   0.036  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.655  -0.594  -0.679  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.778  -1.337  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.925  -2.621  -1.020  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.792  -3.463  -0.792  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.046  -0.491  -0.347  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.162  -1.210   0.183  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.868   0.820   0.425  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.017   1.647   0.235  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.624   1.543  -0.100  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.406   2.732   0.662  1.00  0.00           O  
HETATM   24  H   UNL     1       3.359   1.095  -2.779  1.00  0.00           H  
HETATM   25  H   UNL     1       2.918   1.777  -0.533  1.00  0.00           H  
HETATM   26  H   UNL     1       3.635  -1.170  -0.892  1.00  0.00           H  
HETATM   27  H   UNL     1       5.055   0.479  -2.148  1.00  0.00           H  
HETATM   28  H   UNL     1       5.401   1.303  -0.608  1.00  0.00           H  
HETATM   29  H   UNL     1       7.063  -0.329  -1.138  1.00  0.00           H  
HETATM   30  H   UNL     1       2.537  -1.740   1.199  1.00  0.00           H  
HETATM   31  H   UNL     1       3.696  -1.349   3.252  1.00  0.00           H  
HETATM   32  H   UNL     1       1.768   1.179   1.660  1.00  0.00           H  
HETATM   33  H   UNL     1       0.427  -0.433   2.807  1.00  0.00           H  
HETATM   34  H   UNL     1       1.145  -0.707  -0.662  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.242   0.393   1.089  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.627  -1.589   0.848  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.832  -3.144  -0.716  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.986  -2.373  -2.079  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.818  -4.297  -1.280  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.220  -0.273  -1.401  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.001  -0.732   0.124  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.745   0.604   1.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.972   2.495   0.697  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.768   1.803  -1.148  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.630   3.239   0.387  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    1    3   11   25                                       
CONECT    3    4    2    6   26                                       
CONECT    4    5    3   27   28                                       
CONECT    5    4   29                                                 
CONECT    6    3    7                                                 
CONECT    7    6    9    8   30                                       
CONECT    8    7   31                                                 
CONECT    9   11    7   10   32                                       
CONECT   10    9   33                                                 
CONECT   11    2   12    9   34                                       
CONECT   12   13   11                                                 
CONECT   13   14   22   12   35                                       
CONECT   14   15   13                                                 
CONECT   15   16   18   14   36                                       
CONECT   16   17   15   37   38                                       
CONECT   17   16   39                                                 
CONECT   18   15   19   20   40                                       
CONECT   19   18   41                                                 
CONECT   20   18   21   22   42                                       
CONECT   21   20   43                                                 
CONECT   22   13   20   23   44                                       
CONECT   23   22   45                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
