COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.052   2.093  -1.077  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.258   1.816  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.469   2.880   0.745  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.809   2.632   1.441  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.425   1.863  -1.325  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.811   1.520  -1.548  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.031   1.023  -0.817  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.899   1.925  -0.230  1.00  0.00           C  
HETATM    9  N   UNL     1       1.493   4.203   0.828  1.00  0.00           N  
HETATM   10  C   UNL     1       2.883  -1.726  -0.038  1.00  0.00           C  
HETATM   11  C   UNL     1       2.658  -2.636   0.987  1.00  0.00           C  
HETATM   12  C   UNL     1       3.709  -3.384   1.490  1.00  0.00           C  
HETATM   13  C   UNL     1       5.210  -2.314  -0.056  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.521  -2.849  -1.089  1.00  0.00           O  
HETATM   15  S   UNL     1      -7.725  -2.518   0.041  1.00  0.00           S  
HETATM   16  O   UNL     1       5.840  -4.066   1.626  1.00  0.00           O  
HETATM   17  C   UNL     1      -8.019   1.469   0.441  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.479  -3.140   0.323  1.00  0.00           O  
HETATM   19  C   UNL     1       5.147  -4.445   2.830  1.00  0.00           C  
HETATM   20  C   UNL     1       4.161  -1.567  -0.558  1.00  0.00           C  
HETATM   21  C   UNL     1       4.990  -3.223   0.967  1.00  0.00           C  
HETATM   22  C   UNL     1       1.735   2.911   0.633  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.405  -0.789  -0.066  1.00  0.00           C  
HETATM   24  C   UNL     1       3.527   3.084   2.235  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.285  -0.333  -0.737  1.00  0.00           C  
HETATM   26  C   UNL     1       1.871   0.774   0.083  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.931   2.655   0.400  1.00  0.00           C  
HETATM   28  N   UNL     1       3.212   4.369   2.364  1.00  0.00           N  
HETATM   29  C   UNL     1       2.220   4.902   1.674  1.00  0.00           C  
HETATM   30  O   UNL     1       3.756  -4.327   2.476  1.00  0.00           O  
HETATM   31  C   UNL     1       2.780   2.298   1.343  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.270   0.113   0.525  1.00  0.00           C  
HETATM   33  F   UNL     1      -8.653  -2.751   1.336  1.00  0.00           F  
HETATM   34  I   UNL     1       4.499  -0.196  -2.105  1.00  0.00           I  
HETATM   35  N   UNL     1       1.178   1.930  -0.154  1.00  0.00           N  
HETATM   36  N   UNL     1       2.813   0.995   0.966  1.00  0.00           N  
HETATM   37  N   UNL     1       4.569   2.534   2.963  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.684   1.619  -0.610  1.00  0.00           N  
HETATM   39  S   UNL     1       1.545  -0.779  -0.684  1.00  0.00           S  
HETATM   40  H   UNL     1       0.155   1.391  -1.904  1.00  0.00           H  
HETATM   41  H   UNL     1       0.042   3.112  -1.463  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.213   0.831   0.127  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.662   2.821   1.476  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.473   3.869   0.287  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.789   1.659   1.933  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.985   3.411   2.183  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.460   2.845  -1.798  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.285   1.097  -2.088  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.558   0.823  -2.348  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.017   2.502  -1.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.703   2.985  -0.296  1.00  0.00           H  
HETATM   52  H   UNL     1       1.665  -2.760   1.392  1.00  0.00           H  
HETATM   53  H   UNL     1       6.204  -2.189  -0.461  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.697   2.173   0.900  1.00  0.00           H  
HETATM   55  H   UNL     1       5.387  -5.473   3.102  1.00  0.00           H  
HETATM   56  H   UNL     1       5.396  -3.766   3.645  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.609  -1.037  -1.199  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.886   2.464   0.891  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.959   3.633  -0.081  1.00  0.00           H  
HETATM   60  H   UNL     1       1.997   5.950   1.809  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.145  -0.243   1.050  1.00  0.00           H  
HETATM   62  H   UNL     1       5.079   3.087   3.575  1.00  0.00           H  
HETATM   63  H   UNL     1       4.790   1.595   2.860  1.00  0.00           H  
CONECT    1   35    2   40   41                                       
CONECT    2    3    1    5   42                                       
CONECT    3    4    2   43   44                                       
CONECT    4    3   27   45   46                                       
CONECT    5    2   38   47   48                                       
CONECT    6   38    7   49   50                                       
CONECT    7    6    8    8   25                                       
CONECT    8    7    7   17   51                                       
CONECT    9   22   22   29                                            
CONECT   10   39   20   20   11                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11   21   30                                       
CONECT   13   20   21   21   53                                       
CONECT   14   15   15                                                 
CONECT   15   23   14   14   33                                       
CONECT   15   18   18                                                 
CONECT   16   21   19                                                 
CONECT   17    8   32   32   54                                       
CONECT   18   15   15                                                 
CONECT   19   30   16   55   56                                       
CONECT   20   34   10   10   13                                       
CONECT   21   13   13   12   16                                       
CONECT   22   31   35    9    9                                       
CONECT   23   25   25   32   15                                       
CONECT   24   37   31   31   28                                       
CONECT   25    7   23   23   57                                       
CONECT   26   39   36   36   35                                       
CONECT   27    4   38   58   59                                       
CONECT   28   24   29   29                                            
CONECT   29   28   28    9   60                                       
CONECT   30   12   19                                                 
CONECT   31   36   24   24   22                                       
CONECT   32   17   17   23   61                                       
CONECT   33   15                                                      
CONECT   34   20                                                      
CONECT   35   26   22    1                                            
CONECT   36   26   26   31                                            
CONECT   37   24   62   63                                            
CONECT   38   27    5    6                                            
CONECT   39   10   26                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
