COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.226   0.509  -1.789  1.00  0.00           C  
HETATM    2  C   UNL     1       7.376  -0.400  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1       6.282  -1.108  -0.292  1.00  0.00           C  
HETATM    4  C   UNL     1       5.039  -0.912  -0.864  1.00  0.00           C  
HETATM    5  C   UNL     1       4.887  -0.006  -1.898  1.00  0.00           C  
HETATM    6  C   UNL     1       5.977   0.705  -2.362  1.00  0.00           C  
HETATM    7  S   UNL     1       3.647  -1.817  -0.276  1.00  0.00           S  
HETATM    8  O   UNL     1       2.706  -1.843  -1.341  1.00  0.00           O  
HETATM    9  O   UNL     1       4.162  -2.993   0.334  1.00  0.00           O  
HETATM   10  N   UNL     1       2.957  -0.924   0.935  1.00  0.00           N  
HETATM   11  C   UNL     1       3.391  -1.112   2.322  1.00  0.00           C  
HETATM   12  C   UNL     1       4.496  -0.107   2.652  1.00  0.00           C  
HETATM   13  C   UNL     1       3.939   1.315   2.548  1.00  0.00           C  
HETATM   14  C   UNL     1       5.002  -0.354   4.074  1.00  0.00           C  
HETATM   15  C   UNL     1       1.914   0.055   0.621  1.00  0.00           C  
HETATM   16  C   UNL     1       0.539  -0.595   0.787  1.00  0.00           C  
HETATM   17  O   UNL     1       0.336  -0.937   2.160  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.547   0.386   0.340  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.853  -0.276   0.385  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.857   0.160  -0.400  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.680   1.102  -1.146  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.058  -0.449  -0.358  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.093   0.075  -1.232  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.078  -0.663  -2.588  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.468  -0.775  -2.962  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.171  -1.100  -1.744  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.864  -2.463  -1.386  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.969  -2.520   0.052  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.332  -1.203   0.547  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.491  -0.226  -0.652  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.556   1.597   1.274  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.857   2.579   1.179  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.757   3.519   0.715  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.340   4.499  -0.166  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.022   4.540  -0.582  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.122   3.599  -0.117  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.539   2.619   0.763  1.00  0.00           C  
HETATM   38  O   UNL     1       8.299   1.211  -2.239  1.00  0.00           O  
HETATM   39  C   UNL     1       9.553   0.959  -1.602  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.037  -0.702   1.684  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.514  -1.150   2.936  1.00  0.00           C  
HETATM   42  H   UNL     1       8.347  -0.554  -0.304  1.00  0.00           H  
HETATM   43  H   UNL     1       6.399  -1.816   0.516  1.00  0.00           H  
HETATM   44  H   UNL     1       3.915   0.145  -2.344  1.00  0.00           H  
HETATM   45  H   UNL     1       5.858   1.412  -3.169  1.00  0.00           H  
HETATM   46  H   UNL     1       2.546  -0.956   2.992  1.00  0.00           H  
HETATM   47  H   UNL     1       3.772  -2.126   2.449  1.00  0.00           H  
HETATM   48  H   UNL     1       5.319  -0.227   1.947  1.00  0.00           H  
HETATM   49  H   UNL     1       4.685   2.024   2.906  1.00  0.00           H  
HETATM   50  H   UNL     1       3.698   1.535   1.508  1.00  0.00           H  
HETATM   51  H   UNL     1       3.038   1.397   3.156  1.00  0.00           H  
HETATM   52  H   UNL     1       5.399  -1.366   4.148  1.00  0.00           H  
HETATM   53  H   UNL     1       5.789   0.363   4.309  1.00  0.00           H  
HETATM   54  H   UNL     1       4.179  -0.233   4.779  1.00  0.00           H  
HETATM   55  H   UNL     1       1.997   0.905   1.297  1.00  0.00           H  
HETATM   56  H   UNL     1       2.033   0.395  -0.408  1.00  0.00           H  
HETATM   57  H   UNL     1       0.487  -1.497   0.177  1.00  0.00           H  
HETATM   58  H   UNL     1       0.368  -0.181   2.762  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.342   0.715  -0.679  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.995  -1.028   0.981  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.961   1.146  -1.379  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.532  -0.081  -3.331  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.632  -1.651  -2.478  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.243  -0.919  -1.820  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.015  -2.572   0.354  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.419  -3.378   0.440  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.279  -1.354   0.786  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.041   0.678  -0.391  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.848   1.281   2.276  1.00  0.00           H  
HETATM   70  H   UNL     1       0.441   2.037   1.309  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.182   1.815   1.871  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.786   3.488   1.040  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.043   5.234  -0.529  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.696   5.305  -1.270  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.092   3.631  -0.442  1.00  0.00           H  
HETATM   76  H   UNL     1       9.475   1.192  -0.541  1.00  0.00           H  
HETATM   77  H   UNL     1       9.818  -0.091  -1.725  1.00  0.00           H  
HETATM   78  H   UNL     1      10.323   1.583  -2.056  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.562  -2.238   2.981  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.478  -0.828   3.033  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.104  -0.727   3.749  1.00  0.00           H  
CONECT    1    2    2   38    6                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   44                                       
CONECT    6    1    5    5   45                                       
CONECT    7    4    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   11                                            
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   14   48                                       
CONECT   13   12   49   50   51                                       
CONECT   14   12   52   53   54                                       
CONECT   15   10   16   55   56                                       
CONECT   16   15   18   17   57                                       
CONECT   17   16   58                                                 
CONECT   18   16   31   19   59                                       
CONECT   19   18   20   60                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   30   24   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26                                                 
CONECT   26   25   30   27   64                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   65   66                                       
CONECT   29   28   40   30   67                                       
CONECT   30   23   26   29   68                                       
CONECT   31   18   37   69   70                                       
CONECT   32   33   33   37   71                                       
CONECT   33   32   32   34   72                                       
CONECT   34   33   35   35   73                                       
CONECT   35   34   34   36   74                                       
CONECT   36   35   37   37   75                                       
CONECT   37   31   32   36   36                                       
CONECT   38    1   39                                                 
CONECT   39   38   76   77   78                                       
CONECT   40   29   41                                                 
CONECT   41   40   79   80   81                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
