COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.846   4.273  -0.285  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.772  -1.341  -0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.083  -0.003  -0.125  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.995   3.627   0.751  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.865   4.710   0.532  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.834  -2.527  -0.970  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.038  -1.878   1.193  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.500   2.572   0.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.918   1.221  -0.017  1.00  0.00           C  
HETATM   10  C   UNL     1       0.765  -0.249  -0.074  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.106  -1.180  -0.951  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.807  -3.197   1.091  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.683   0.064  -0.099  1.00  0.00           C  
HETATM   14  N   UNL     1       0.379   0.990  -0.010  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.741   1.018  -0.073  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.023  -2.984   0.371  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.624   2.981  -0.571  1.00  0.00           O  
HETATM   18  S   UNL     1      -0.575  -1.305  -0.164  1.00  0.00           S  
HETATM   19  N   UNL     1       2.084  -0.657  -0.077  1.00  0.00           N  
HETATM   20  C   UNL     1       3.073   0.256  -0.010  1.00  0.00           C  
HETATM   21  O   UNL     1       2.803   1.440   0.052  1.00  0.00           O  
HETATM   22  C   UNL     1       4.484  -0.181  -0.014  1.00  0.00           C  
HETATM   23  C   UNL     1       4.807  -1.537  -0.086  1.00  0.00           C  
HETATM   24  N   UNL     1       6.065  -1.927  -0.088  1.00  0.00           N  
HETATM   25  C   UNL     1       7.062  -1.065  -0.024  1.00  0.00           C  
HETATM   26  C   UNL     1       8.481  -1.571  -0.030  1.00  0.00           C  
HETATM   27  C   UNL     1       6.825   0.296   0.049  1.00  0.00           C  
HETATM   28  C   UNL     1       5.521   0.758   0.049  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.675   4.864  -0.645  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.138  -2.041  -0.761  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.102   3.629   1.358  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.766   5.705   0.941  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.804  -2.409  -1.454  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.239  -3.254  -1.522  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.090  -2.047   1.704  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.629  -1.153   1.753  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.720  -0.442  -0.434  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.922  -0.851  -1.973  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.199  -3.933   0.566  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.037  -3.562   2.092  1.00  0.00           H  
HETATM   41  H   UNL     1       2.299  -1.602  -0.127  1.00  0.00           H  
HETATM   42  H   UNL     1       4.018  -2.273  -0.139  1.00  0.00           H  
HETATM   43  H   UNL     1       8.839  -1.636  -1.058  1.00  0.00           H  
HETATM   44  H   UNL     1       9.114  -0.886   0.533  1.00  0.00           H  
HETATM   45  H   UNL     1       8.517  -2.559   0.429  1.00  0.00           H  
HETATM   46  H   UNL     1       7.650   0.992   0.096  1.00  0.00           H  
HETATM   47  H   UNL     1       5.308   1.816   0.105  1.00  0.00           H  
CONECT    1   17    5    5   29                                       
CONECT    2    7    3   11   30                                       
CONECT    3    2   15   15   13                                       
CONECT    4    8    8    5   31                                       
CONECT    5    4    1    1   32                                       
CONECT    6   16   11   33   34                                       
CONECT    7   12    2   35   36                                       
CONECT    8    9    4    4   17                                       
CONECT    9   13   13   14    8                                       
CONECT   10   18   19   14   14                                       
CONECT   11    2    6   37   38                                       
CONECT   12    7   16   39   40                                       
CONECT   13   18    3    9    9                                       
CONECT   14   10   10    9                                            
CONECT   15    3    3                                                 
CONECT   16   12    6                                                 
CONECT   17    8    1                                                 
CONECT   18   13   10                                                 
CONECT   19   20   10   41                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   28   20   23   23                                       
CONECT   23   22   22   24   42                                       
CONECT   24   25   25   23                                            
CONECT   25   27   26   24   24                                       
CONECT   26   25   43   44   45                                       
CONECT   27   28   28   25   46                                       
CONECT   28   27   27   22   47                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
