COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.687   2.494  -4.225  1.00  0.00           C  
HETATM    2  C   UNL     1       6.272   2.839  -3.105  1.00  0.00           C  
HETATM    3  C   UNL     1       5.808   2.247  -1.799  1.00  0.00           C  
HETATM    4  N   UNL     1       6.944   1.626  -1.114  1.00  0.00           N  
HETATM    5  S   UNL     1       6.827   1.226   0.489  1.00  0.00           S  
HETATM    6  O   UNL     1       8.063   0.621   0.843  1.00  0.00           O  
HETATM    7  O   UNL     1       6.303   2.370   1.150  1.00  0.00           O  
HETATM    8  C   UNL     1       5.600  -0.031   0.624  1.00  0.00           C  
HETATM    9  C   UNL     1       4.279   0.314   0.818  1.00  0.00           C  
HETATM   10  C   UNL     1       5.964  -1.363   0.530  1.00  0.00           C  
HETATM   11  C   UNL     1       5.007  -2.357   0.635  1.00  0.00           C  
HETATM   12  C   UNL     1       3.683  -2.026   0.835  1.00  0.00           C  
HETATM   13  C   UNL     1       3.309  -0.684   0.925  1.00  0.00           C  
HETATM   14  C   UNL     1       1.891  -0.322   1.134  1.00  0.00           C  
HETATM   15  O   UNL     1       1.581   0.840   1.310  1.00  0.00           O  
HETATM   16  N   UNL     1       0.943  -1.279   1.128  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.393  -0.931   1.217  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.841   0.282   1.420  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.200   0.267   1.452  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.167   1.259   1.632  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.502   0.923   1.613  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.545   1.994   1.807  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.918   2.556   0.502  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.591   1.552  -0.331  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.834   2.127  -1.728  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.698   3.385  -1.615  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.997   4.396  -0.703  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.750   3.756   0.665  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.895  -0.393   1.415  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.952  -1.383   1.236  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.603  -1.064   1.252  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.440  -1.799   1.101  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.349  -3.242   0.861  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.732  -3.787   0.499  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.239  -3.091  -0.766  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.378  -3.508  -0.291  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.885  -2.812  -1.556  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.268  -3.357  -1.918  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.775  -2.661  -3.183  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.997  -3.270  -3.605  1.00  0.00           O  
HETATM   41  H   UNL     1       4.872   1.786  -4.213  1.00  0.00           H  
HETATM   42  H   UNL     1       6.016   2.922  -5.161  1.00  0.00           H  
HETATM   43  H   UNL     1       7.086   3.548  -3.117  1.00  0.00           H  
HETATM   44  H   UNL     1       5.391   3.034  -1.171  1.00  0.00           H  
HETATM   45  H   UNL     1       5.045   1.493  -1.993  1.00  0.00           H  
HETATM   46  H   UNL     1       7.766   1.449  -1.599  1.00  0.00           H  
HETATM   47  H   UNL     1       3.996   1.354   0.887  1.00  0.00           H  
HETATM   48  H   UNL     1       6.999  -1.628   0.373  1.00  0.00           H  
HETATM   49  H   UNL     1       5.298  -3.395   0.560  1.00  0.00           H  
HETATM   50  H   UNL     1       2.937  -2.803   0.916  1.00  0.00           H  
HETATM   51  H   UNL     1       1.197  -2.213   1.062  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.868   2.285   1.787  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.426   1.561   2.281  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.142   2.783   2.441  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.964   0.664  -0.407  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.546   1.285   0.123  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.879   2.381  -2.188  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.348   1.387  -2.342  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.838   3.822  -2.603  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.668   3.124  -1.191  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.044   4.686  -1.146  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.627   5.278  -0.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.703   3.478   1.114  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.237   4.468   1.312  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.945  -0.643   1.402  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.264  -2.406   1.084  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.988  -3.738   1.763  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.665  -4.860   0.321  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.424  -3.597   1.320  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.224  -3.479  -1.024  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.306  -2.018  -0.588  1.00  0.00           H  
HETATM   72  H   UNL     1       0.607  -3.120  -0.032  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.311  -4.581  -0.469  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.952  -1.739  -1.378  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.193  -3.001  -2.376  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.200  -4.430  -2.096  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.948  -1.606  -2.972  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.030  -2.756  -3.973  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.337  -2.930  -4.444  1.00  0.00           H  
CONECT    1    2    2   41   42                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5   46                                            
CONECT    5    4    7    7    6                                       
CONECT    5    6    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9    9   10                                       
CONECT    9    8    8   13   47                                       
CONECT   10    8   11   11   48                                       
CONECT   11   10   10   12   49                                       
CONECT   12   11   13   13   50                                       
CONECT   13    9   12   12   14                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   51                                            
CONECT   17   16   32   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   18   31   31   20                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   29   22                                       
CONECT   22   21   23   53   54                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25   55   56                                       
CONECT   25   24   26   57   58                                       
CONECT   26   25   27   59   60                                       
CONECT   27   26   28   61   62                                       
CONECT   28   23   27   63   64                                       
CONECT   29   21   30   30   65                                       
CONECT   30   29   29   31   66                                       
CONECT   31   19   19   30   32                                       
CONECT   32   17   31   33                                            
CONECT   33   32   36   34   67                                       
CONECT   34   33   35   68   69                                       
CONECT   35   34   38   70   71                                       
CONECT   36   33   37   72   73                                       
CONECT   37   36   38   74   75                                       
CONECT   38   35   37   39   76                                       
CONECT   39   38   40   77   78                                       
CONECT   40   39   79                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
