COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.335  -1.357  -1.866  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.457  -1.481  -0.487  1.00  0.00           C  
HETATM    3  C   UNL     1       1.873  -1.794  -0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       2.985  -2.030   2.083  1.00  0.00           C  
HETATM    5  C   UNL     1       5.806  -0.336  -0.409  1.00  0.00           C  
HETATM    6  C   UNL     1       6.124   0.998  -0.396  1.00  0.00           C  
HETATM    7  C   UNL     1       3.937   1.501   0.517  1.00  0.00           C  
HETATM    8  C   UNL     1       3.629   0.165   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.320   1.302  -0.309  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.049   0.724   0.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.006   0.396  -0.635  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.928  -0.132   0.060  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.674  -0.560  -0.609  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.539  -0.429  -1.990  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.374  -0.833  -2.611  1.00  0.00           C  
HETATM   16  C   UNL     1       3.006  -2.462   0.615  1.00  0.00           C  
HETATM   17  C   UNL     1       4.559  -0.760   0.038  1.00  0.00           C  
HETATM   18  C   UNL     1       5.191   1.933   0.068  1.00  0.00           C  
HETATM   19  C   UNL     1       5.526   3.363   0.084  1.00  0.00           C  
HETATM   20  C   UNL     1       4.520   4.367   0.584  1.00  0.00           C  
HETATM   21  C   UNL     1       2.844  -3.981   0.529  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.626  -1.083   0.143  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.112  -0.224   1.392  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.503   1.538  -1.581  1.00  0.00           N  
HETATM   25  N   UNL     1      -8.318   1.597   0.598  1.00  0.00           N  
HETATM   26  N   UNL     1       0.600  -2.008   0.264  1.00  0.00           N  
HETATM   27  O   UNL     1       4.249  -2.081   0.024  1.00  0.00           O  
HETATM   28  O   UNL     1       6.613   3.735  -0.306  1.00  0.00           O  
HETATM   29  O   UNL     1       2.108  -1.063  -1.060  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.654   0.359   1.830  1.00  0.00           S  
HETATM   31  H   UNL     1       0.576  -1.667  -2.356  1.00  0.00           H  
HETATM   32  H   UNL     1       2.060  -2.368   2.549  1.00  0.00           H  
HETATM   33  H   UNL     1       3.836  -2.470   2.603  1.00  0.00           H  
HETATM   34  H   UNL     1       3.046  -0.943   2.142  1.00  0.00           H  
HETATM   35  H   UNL     1       6.523  -1.058  -0.771  1.00  0.00           H  
HETATM   36  H   UNL     1       7.092   1.326  -0.744  1.00  0.00           H  
HETATM   37  H   UNL     1       3.214   2.218   0.876  1.00  0.00           H  
HETATM   38  H   UNL     1       2.662  -0.170   0.847  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.011   0.532  -1.707  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.347  -0.016  -2.575  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.274  -0.739  -3.682  1.00  0.00           H  
HETATM   42  H   UNL     1       4.652   4.511   1.656  1.00  0.00           H  
HETATM   43  H   UNL     1       4.668   5.317   0.069  1.00  0.00           H  
HETATM   44  H   UNL     1       3.513   4.001   0.387  1.00  0.00           H  
HETATM   45  H   UNL     1       2.770  -4.280  -0.517  1.00  0.00           H  
HETATM   46  H   UNL     1       3.708  -4.465   0.985  1.00  0.00           H  
HETATM   47  H   UNL     1       1.939  -4.281   1.057  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.726  -1.187   1.214  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.381  -0.610   2.088  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.802   1.331  -2.218  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.181   1.422   1.543  1.00  0.00           H  
HETATM   52  H   UNL     1       0.415  -2.528   1.062  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.155   1.978   0.291  1.00  0.00           H  
CONECT    1   15   15    2   31                                       
CONECT    2   22   22    1   26                                       
CONECT    3   26   29   29   16                                       
CONECT    4   16   32   33   34                                       
CONECT    5   17   17    6   35                                       
CONECT    6    5   18   18   36                                       
CONECT    7    8    8   18   37                                       
CONECT    8   17    7    7   38                                       
CONECT    9   25   10   24   24                                       
CONECT   10   30    9   11   11                                       
CONECT   11   10   10   12   39                                       
CONECT   12   23   23   11   13                                       
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14    1    1   41                                       
CONECT   16    3    4   21   27                                       
CONECT   17   27    5    5    8                                       
CONECT   18    6    6    7   19                                       
CONECT   19   18   20   28   28                                       
CONECT   20   19   42   43   44                                       
CONECT   21   16   45   46   47                                       
CONECT   22   13    2    2   48                                       
CONECT   23   30   12   12   49                                       
CONECT   24    9    9   50                                            
CONECT   25    9   51   53                                            
CONECT   26    2    3   52                                            
CONECT   27   16   17                                                 
CONECT   28   19   19                                                 
CONECT   29    3    3                                                 
CONECT   30   23   10                                                 
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
