COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.058  -2.504   0.144  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.281  -1.930   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.289   0.298   0.072  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.415  -0.533  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.545   0.395  -0.125  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.032   1.608  -0.103  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.753   1.581   0.007  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.901   2.772   0.059  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.971   0.041  -0.242  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.309  -1.127  -0.249  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.903  -1.702   0.228  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.013  -0.290   0.193  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.900   0.446   0.275  1.00  0.00           N  
HETATM   14  C   UNL     1       0.278  -0.138   0.387  1.00  0.00           C  
HETATM   15  N   UNL     1       0.418  -1.461   0.424  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.622  -2.266   0.349  1.00  0.00           C  
HETATM   17  N   UNL     1       1.409   0.654   0.470  1.00  0.00           N  
HETATM   18  N   UNL     1      -7.901   1.012  -0.340  1.00  0.00           N  
HETATM   19  C   UNL     1       2.730   0.034   0.596  1.00  0.00           C  
HETATM   20  C   UNL     1       3.691   1.014   1.272  1.00  0.00           C  
HETATM   21  C   UNL     1       5.062   0.350   1.433  1.00  0.00           C  
HETATM   22  N   UNL     1       5.513  -0.128   0.119  1.00  0.00           N  
HETATM   23  C   UNL     1       4.626  -1.004  -0.657  1.00  0.00           C  
HETATM   24  C   UNL     1       3.259  -0.324  -0.795  1.00  0.00           C  
HETATM   25  S   UNL     1       6.995   0.314  -0.476  1.00  0.00           S  
HETATM   26  C   UNL     1       8.124  -0.974   0.122  1.00  0.00           C  
HETATM   27  O   UNL     1       6.845   0.229  -1.887  1.00  0.00           O  
HETATM   28  O   UNL     1       7.272   1.554   0.159  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.318   0.661  -0.456  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.969  -3.580   0.176  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.161  -2.553  -0.036  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.602   3.048  -0.952  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.455   3.595   0.512  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.015   2.559   0.656  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.631   1.944  -0.334  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.492  -3.338   0.380  1.00  0.00           H  
HETATM   37  H   UNL     1       1.327   1.620   0.445  1.00  0.00           H  
HETATM   38  H   UNL     1       2.651  -0.871   1.198  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.624   0.091   0.422  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.914   1.571  -0.525  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.471   0.058  -1.352  1.00  0.00           H  
HETATM   42  H   UNL     1       3.790   1.909   0.658  1.00  0.00           H  
HETATM   43  H   UNL     1       3.302   1.287   2.253  1.00  0.00           H  
HETATM   44  H   UNL     1       2.563  -1.004  -1.285  1.00  0.00           H  
HETATM   45  H   UNL     1       3.363   0.583  -1.390  1.00  0.00           H  
HETATM   46  H   UNL     1       5.776   1.075   1.823  1.00  0.00           H  
HETATM   47  H   UNL     1       4.982  -0.492   2.120  1.00  0.00           H  
HETATM   48  H   UNL     1       5.051  -1.172  -1.646  1.00  0.00           H  
HETATM   49  H   UNL     1       4.509  -1.957  -0.141  1.00  0.00           H  
HETATM   50  H   UNL     1       7.805  -1.943  -0.260  1.00  0.00           H  
HETATM   51  H   UNL     1       9.135  -0.761  -0.227  1.00  0.00           H  
HETATM   52  H   UNL     1       8.112  -0.990   1.212  1.00  0.00           H  
CONECT    1    2   11   11   30                                       
CONECT    2    1    4    4   31                                       
CONECT    3    4    7   12   12                                       
CONECT    4    2    2    3    5                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7                                            
CONECT    7    3    6    8                                            
CONECT    8    7   32   33   34                                       
CONECT    9    5   10   10   18                                       
CONECT   10    9    9                                                 
CONECT   11    1    1   12   16                                       
CONECT   12    3    3   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16                                            
CONECT   16   11   15   15   36                                       
CONECT   17   14   19   37                                            
CONECT   18    9   29   35                                            
CONECT   19   17   20   24   38                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   25                                            
CONECT   23   22   24   48   49                                       
CONECT   24   19   23   44   45                                       
CONECT   25   22   26   27   27                                       
CONECT   25   28   28                                                 
CONECT   26   25   50   51   52                                       
CONECT   27   25   25                                                 
CONECT   28   25   25                                                 
CONECT   29   18   39   40   41                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   18                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   29                                                      
CONECT   40   29                                                      
CONECT   41   29                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
