COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.790  -1.380  -0.024  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.755  -2.786  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.571  -3.453  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.349  -2.781   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       3.434   2.852   0.009  1.00  0.00           C  
HETATM    6  C   UNL     1       3.408   1.345   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1       2.200   0.679   0.012  1.00  0.00           C  
HETATM    8  C   UNL     1       2.175  -0.718   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1       3.382  -1.433   0.033  1.00  0.00           C  
HETATM   10  C   UNL     1       4.586  -0.747   0.040  1.00  0.00           C  
HETATM   11  C   UNL     1       4.597   0.635   0.027  1.00  0.00           C  
HETATM   12  C   UNL     1       4.639  -3.450   0.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.311  -1.385  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.576  -0.651  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.610   0.748  -0.029  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.810   1.394  -0.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.006   0.680  -0.048  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.010  -0.682  -0.044  1.00  0.00           C  
HETATM   19  N   UNL     1       0.983  -1.383   0.014  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.124  -0.722   0.001  1.00  0.00           N  
HETATM   21  O   UNL     1       7.022   0.736  -0.776  1.00  0.00           O  
HETATM   22  O   UNL     1       5.910   2.813  -0.706  1.00  0.00           O  
HETATM   23  O   UNL     1       6.403   1.836   1.381  1.00  0.00           O  
HETATM   24  O   UNL     1       3.371  -2.790   0.041  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.260   2.834  -0.616  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.497   0.662  -0.626  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.949   1.779   1.376  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.191  -3.487   0.016  1.00  0.00           O  
HETATM   29  S   UNL     1       6.132   1.499   0.027  1.00  0.00           S  
HETATM   30  S   UNL     1      -6.537   1.551  -0.072  1.00  0.00           S  
HETATM   31  H   UNL     1      -4.681  -3.343  -0.020  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.576  -4.533   0.004  1.00  0.00           H  
HETATM   33  H   UNL     1       3.553   3.207  -1.014  1.00  0.00           H  
HETATM   34  H   UNL     1       2.499   3.234   0.420  1.00  0.00           H  
HETATM   35  H   UNL     1       4.268   3.204   0.616  1.00  0.00           H  
HETATM   36  H   UNL     1       1.276   1.237   0.001  1.00  0.00           H  
HETATM   37  H   UNL     1       5.517  -1.294   0.051  1.00  0.00           H  
HETATM   38  H   UNL     1       5.191  -3.156   0.948  1.00  0.00           H  
HETATM   39  H   UNL     1       4.487  -4.529   0.060  1.00  0.00           H  
HETATM   40  H   UNL     1       5.205  -3.167  -0.832  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.689   1.313  -0.025  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.835   2.473  -0.050  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.945  -1.223  -0.048  1.00  0.00           H  
HETATM   44  H   UNL     1       0.152  -3.697  -0.864  1.00  0.00           H  
HETATM   45  H   UNL     1       6.699   3.370  -0.764  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.785   2.254   1.477  1.00  0.00           H  
CONECT    1   18    2    2   14                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3   13   28                                       
CONECT    5    6   33   34   35                                       
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   36                                       
CONECT    8   19    7    7    9                                       
CONECT    9    8   24   10   10                                       
CONECT   10    9    9   11   37                                       
CONECT   11    6    6   10   29                                       
CONECT   12   24   38   39   40                                       
CONECT   13   14   14    4   20                                       
CONECT   14    1   15   13   13                                       
CONECT   15   16   16   14   41                                       
CONECT   16   17   15   15   42                                       
CONECT   17   30   18   18   16                                       
CONECT   18   17   17    1   43                                       
CONECT   19   20   20    8                                            
CONECT   20   13   19   19                                            
CONECT   21   29   29                                                 
CONECT   22   29   45                                                 
CONECT   23   29   29                                                 
CONECT   24    9   12                                                 
CONECT   25   30   30                                                 
CONECT   26   30   30                                                 
CONECT   27   30   46                                                 
CONECT   28    4   44                                                 
CONECT   29   11   23   23   21                                       
CONECT   29   21   22                                                 
CONECT   30   26   26   25   25                                       
CONECT   30   27   17                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   28                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
