COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.514   0.430   1.373  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.801  -1.217   0.308  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.242  -0.318  -1.790  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.441  -2.520   0.391  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.072  -1.455  -0.553  1.00  0.00           N  
HETATM    6  N   UNL     1       8.429   0.814  -2.111  1.00  0.00           N  
HETATM    7  C   UNL     1      10.077  -1.916  -0.729  1.00  0.00           C  
HETATM    8  C   UNL     1       9.471  -0.005  -1.990  1.00  0.00           C  
HETATM    9  C   UNL     1       7.465   0.440  -1.285  1.00  0.00           C  
HETATM   10  C   UNL     1      11.284  -1.962  -1.338  1.00  0.00           C  
HETATM   11  C   UNL     1      11.619  -1.007  -2.308  1.00  0.00           C  
HETATM   12  C   UNL     1       7.178  -1.400   0.393  1.00  0.00           C  
HETATM   13  C   UNL     1       2.192   0.162   2.811  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.024   6.468   0.324  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.936   5.163   1.118  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.602   1.736   0.580  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.164  -0.126   1.251  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.186   0.292   2.079  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.424   1.130   2.927  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.676   2.778   1.210  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.764   4.084   0.417  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.479   6.245  -1.088  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.307   5.166  -1.788  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.219   3.860  -0.995  1.00  0.00           C  
HETATM   25  C   UNL     1       1.177  -0.269   1.956  1.00  0.00           C  
HETATM   26  C   UNL     1       1.453  -1.231   0.983  1.00  0.00           C  
HETATM   27  C   UNL     1       2.727  -1.750   0.873  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.514  -0.557   0.829  1.00  0.00           C  
HETATM   29  C   UNL     1       3.462  -0.361   2.687  1.00  0.00           C  
HETATM   30  C   UNL     1       3.729  -1.319   1.724  1.00  0.00           C  
HETATM   31  C   UNL     1       5.117  -1.890   1.598  1.00  0.00           C  
HETATM   32  C   UNL     1       7.899  -0.678  -0.591  1.00  0.00           C  
HETATM   33  C   UNL     1      10.721  -0.035  -2.634  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.059  -0.471  -0.147  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.167  -3.243   0.840  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.176  -2.221   1.401  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.829  -0.258   0.837  1.00  0.00           N  
HETATM   38  N   UNL     1       5.898  -1.076   0.663  1.00  0.00           N  
HETATM   39  N   UNL     1       9.176  -0.950  -1.048  1.00  0.00           N  
HETATM   40  O   UNL     1      -9.175  -2.704  -2.327  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.824  -0.699  -2.853  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.137  -1.619   0.383  1.00  0.00           O  
HETATM   43  O   UNL     1       7.714  -2.313   0.994  1.00  0.00           O  
HETATM   44  S   UNL     1      -8.784  -1.367  -2.045  1.00  0.00           S  
HETATM   45  H   UNL     1      -2.732   0.627   2.423  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.366  -1.747  -0.539  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.926   0.662  -1.431  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.777  -0.204  -2.733  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.898  -0.780  -1.053  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.938  -2.084   1.257  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.111  -3.226  -0.099  1.00  0.00           H  
HETATM   52  H   UNL     1       9.827  -2.655   0.018  1.00  0.00           H  
HETATM   53  H   UNL     1       6.505   0.922  -1.172  1.00  0.00           H  
HETATM   54  H   UNL     1      11.991  -2.734  -1.075  1.00  0.00           H  
HETATM   55  H   UNL     1      12.582  -1.042  -2.795  1.00  0.00           H  
HETATM   56  H   UNL     1       1.984   0.906   3.566  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.064   6.789   0.266  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.434   7.237   0.824  1.00  0.00           H  
HETATM   59  H   UNL     1       0.104   4.842   1.176  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.324   5.322   2.124  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.297   1.556  -0.451  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.628   2.103   0.597  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.974  -0.794   0.574  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.980   2.958   2.241  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.650   2.411   1.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.804   4.404   0.359  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.542   7.175  -1.653  1.00  0.00           H  
HETATM   68  H   UNL     1       0.561   5.924  -1.030  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.347   5.486  -1.847  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.919   5.006  -2.795  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.179   3.539  -0.937  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.809   3.091  -1.495  1.00  0.00           H  
HETATM   73  H   UNL     1       0.672  -1.568   0.318  1.00  0.00           H  
HETATM   74  H   UNL     1       2.942  -2.494   0.121  1.00  0.00           H  
HETATM   75  H   UNL     1       4.250  -0.025   3.345  1.00  0.00           H  
HETATM   76  H   UNL     1       5.602  -1.886   2.575  1.00  0.00           H  
HETATM   77  H   UNL     1       5.057  -2.913   1.227  1.00  0.00           H  
HETATM   78  H   UNL     1      10.967   0.706  -3.380  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.444   0.132   0.675  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.816   0.173  -0.993  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.415  -3.971   1.612  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.719  -3.754  -0.012  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.279  -2.736   1.745  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.634  -1.692   2.238  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.130   0.592   1.194  1.00  0.00           H  
HETATM   86  H   UNL     1       5.493  -0.303   0.238  1.00  0.00           H  
CONECT    1   17   28   16   45                                       
CONECT    2   36   37   34   46                                       
CONECT    3   44   47   48   49                                       
CONECT    4   35    5   50   51                                       
CONECT    5    4   34   44                                            
CONECT    6    8    8    9                                            
CONECT    7   10   10   39   52                                       
CONECT    8   33   39    6    6                                       
CONECT    9    6   32   32   53                                       
CONECT   10   11    7    7   54                                       
CONECT   11   10   33   33   55                                       
CONECT   12   32   43   43   38                                       
CONECT   13   25   25   29   56                                       
CONECT   14   15   22   57   58                                       
CONECT   15   14   21   59   60                                       
CONECT   16    1   20   61   62                                       
CONECT   17   18    1   63                                            
CONECT   18   25   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   16   64   65                                       
CONECT   21   15   20   24   66                                       
CONECT   22   14   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   21   23   71   72                                       
CONECT   25   26   13   13   18                                       
CONECT   26   27   27   25   73                                       
CONECT   27   26   26   30   74                                       
CONECT   28   37    1   42   42                                       
CONECT   29   30   30   13   75                                       
CONECT   30   27   31   29   29                                       
CONECT   31   38   30   76   77                                       
CONECT   32   39    9    9   12                                       
CONECT   33   11   11    8   78                                       
CONECT   34    2    5   79   80                                       
CONECT   35   36    4   81   82                                       
CONECT   36   35    2   83   84                                       
CONECT   37    2   28   85                                            
CONECT   38   12   31   86                                            
CONECT   39    7    8   32                                            
CONECT   40   44   44                                                 
CONECT   41   44   44                                                 
CONECT   42   28   28                                                 
CONECT   43   12   12                                                 
CONECT   44    5   41   41   40                                       
CONECT   44   40    3                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
