COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.299   4.037  -1.823  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.530   4.789  -0.500  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.511   3.827   0.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.881   2.832  -0.972  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.681   2.070  -1.537  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.957   1.963  -0.637  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.657   0.817   0.029  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.655   0.141   0.589  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.456  -0.984   1.244  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.185  -1.509   1.376  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.966  -2.799   2.124  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.155  -3.980   1.170  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.538  -3.894   0.520  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.078  -3.937   0.084  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.040  -5.290   1.951  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.114  -0.833   0.811  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.357   0.352   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.189   1.093  -0.465  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.259   0.131  -1.072  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.059  -0.036  -0.242  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.032   1.037  -0.608  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.588   2.331  -0.364  1.00  0.00           O  
HETATM   23  C   UNL     1       1.224   0.853   0.246  1.00  0.00           C  
HETATM   24  N   UNL     1       1.848  -0.433  -0.073  1.00  0.00           N  
HETATM   25  C   UNL     1       2.257  -0.690  -1.331  1.00  0.00           C  
HETATM   26  O   UNL     1       2.200   0.178  -2.177  1.00  0.00           O  
HETATM   27  C   UNL     1       2.787  -2.055  -1.688  1.00  0.00           C  
HETATM   28  C   UNL     1       1.652  -3.078  -1.612  1.00  0.00           C  
HETATM   29  O   UNL     1       3.316  -2.028  -3.015  1.00  0.00           O  
HETATM   30  C   UNL     1       4.451  -2.876  -3.205  1.00  0.00           C  
HETATM   31  C   UNL     1       2.211   1.985  -0.048  1.00  0.00           C  
HETATM   32  C   UNL     1       3.393   1.874   0.879  1.00  0.00           C  
HETATM   33  C   UNL     1       4.493   1.129   0.507  1.00  0.00           C  
HETATM   34  C   UNL     1       3.376   2.525   2.101  1.00  0.00           C  
HETATM   35  C   UNL     1       4.458   2.428   2.957  1.00  0.00           C  
HETATM   36  C   UNL     1       5.562   1.682   2.598  1.00  0.00           C  
HETATM   37  C   UNL     1       5.588   1.028   1.366  1.00  0.00           C  
HETATM   38  C   UNL     1       6.769   0.231   0.973  1.00  0.00           C  
HETATM   39  N   UNL     1       7.843   0.067   1.691  1.00  0.00           N  
HETATM   40  C   UNL     1       8.796  -0.677   1.179  1.00  0.00           C  
HETATM   41  C   UNL     1       8.550  -1.186  -0.034  1.00  0.00           C  
HETATM   42  S   UNL     1       6.948  -0.654  -0.540  1.00  0.00           S  
HETATM   43  H   UNL     1      -6.211   3.872  -2.397  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.489   4.449  -2.424  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.195   5.826  -0.523  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.540   4.679  -0.106  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.482   4.180   0.079  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.791   3.493   1.135  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.982   1.518  -2.428  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.886   2.771  -1.790  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.295  -1.501   1.684  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.954  -2.817   2.528  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.684  -2.872   2.940  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.673  -4.735  -0.160  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.305  -3.925   1.293  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.620  -2.961  -0.036  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.098  -4.077   0.539  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.260  -4.731  -0.640  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.109  -2.971  -0.421  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.027  -5.393   2.341  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.748  -5.284   2.779  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.261  -6.128   1.290  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.110  -1.221   0.900  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.674   1.646   0.320  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.712  -0.756  -1.235  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.328   0.062   0.810  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.631  -1.023  -0.417  1.00  0.00           H  
HETATM   68  H   UNL     1       0.228   0.946  -1.662  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.844   2.483   0.556  1.00  0.00           H  
HETATM   70  H   UNL     1       0.952   0.873   1.302  1.00  0.00           H  
HETATM   71  H   UNL     1       1.966  -1.100   0.621  1.00  0.00           H  
HETATM   72  H   UNL     1       3.575  -2.333  -0.988  1.00  0.00           H  
HETATM   73  H   UNL     1       2.052  -4.077  -1.783  1.00  0.00           H  
HETATM   74  H   UNL     1       1.190  -3.036  -0.625  1.00  0.00           H  
HETATM   75  H   UNL     1       0.905  -2.850  -2.372  1.00  0.00           H  
HETATM   76  H   UNL     1       5.281  -2.514  -2.598  1.00  0.00           H  
HETATM   77  H   UNL     1       4.199  -3.893  -2.905  1.00  0.00           H  
HETATM   78  H   UNL     1       4.739  -2.868  -4.256  1.00  0.00           H  
HETATM   79  H   UNL     1       2.551   1.912  -1.081  1.00  0.00           H  
HETATM   80  H   UNL     1       1.718   2.945   0.105  1.00  0.00           H  
HETATM   81  H   UNL     1       4.506   0.625  -0.449  1.00  0.00           H  
HETATM   82  H   UNL     1       2.515   3.111   2.386  1.00  0.00           H  
HETATM   83  H   UNL     1       4.439   2.938   3.909  1.00  0.00           H  
HETATM   84  H   UNL     1       6.406   1.608   3.268  1.00  0.00           H  
HETATM   85  H   UNL     1       9.720  -0.867   1.704  1.00  0.00           H  
HETATM   86  H   UNL     1       9.217  -1.816  -0.603  1.00  0.00           H  
CONECT    1    2    4   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    6    3    1    5                                       
CONECT    5    4   18   49   50                                       
CONECT    6    7    4                                                 
CONECT    7    8    6   17   17                                       
CONECT    8    9    9    7                                            
CONECT    9    8    8   10   51                                       
CONECT   10    9   11   16   16                                       
CONECT   11   12   10   52   53                                       
CONECT   12   13   15   14   11                                       
CONECT   13   12   54   55   56                                       
CONECT   14   12   57   58   59                                       
CONECT   15   12   60   61   62                                       
CONECT   16   10   10   17   63                                       
CONECT   17    7    7   16   18                                       
CONECT   18   17    5   19   64                                       
CONECT   19   18   20   65                                            
CONECT   20   19   21   66   67                                       
CONECT   21   22   20   23   68                                       
CONECT   22   21   69                                                 
CONECT   23   21   31   24   70                                       
CONECT   24   23   25   71                                            
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   29   72                                       
CONECT   28   27   73   74   75                                       
CONECT   29   27   30                                                 
CONECT   30   29   76   77   78                                       
CONECT   31   23   32   79   80                                       
CONECT   32   34   31   33   33                                       
CONECT   33   32   32   37   81                                       
CONECT   34   35   35   32   82                                       
CONECT   35   34   34   36   83                                       
CONECT   36   35   37   37   84                                       
CONECT   37   36   36   33   38                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40                                            
CONECT   40   39   41   41   85                                       
CONECT   41   42   40   40   86                                       
CONECT   42   38   41                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
