COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.527   8.430  -0.156  1.00  0.00           C  
HETATM    2  C   UNL     1       0.074   7.009   0.188  1.00  0.00           C  
HETATM    3  O   UNL     1       1.164   6.104   0.002  1.00  0.00           O  
HETATM    4  C   UNL     1       0.846   4.742   0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       2.061   3.881   0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       3.244   4.456  -0.359  1.00  0.00           C  
HETATM    7  C   UNL     1       4.362   3.669  -0.571  1.00  0.00           C  
HETATM    8  C   UNL     1       4.299   2.306  -0.356  1.00  0.00           C  
HETATM    9  C   UNL     1       3.113   1.726   0.073  1.00  0.00           C  
HETATM   10  C   UNL     1       1.993   2.520   0.290  1.00  0.00           C  
HETATM   11  C   UNL     1       0.706   1.895   0.761  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.078   1.508  -0.370  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.280   0.925  -0.117  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.697   0.735   1.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.918   0.142   1.448  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.727  -0.263   0.396  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.310  -0.073  -0.913  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.091   0.524  -1.169  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.929  -0.847   0.649  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.709  -1.240  -0.482  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.017  -1.873  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.854  -2.355  -1.211  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.302  -1.994  -0.795  1.00  0.00           C  
HETATM   24  N   UNL     1      -9.140  -0.698  -0.088  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.895  -0.822   0.700  1.00  0.00           C  
HETATM   26  N   UNL     1       3.046   0.347   0.291  1.00  0.00           N  
HETATM   27  C   UNL     1       3.865  -0.483  -0.385  1.00  0.00           C  
HETATM   28  O   UNL     1       4.698  -0.028  -1.147  1.00  0.00           O  
HETATM   29  C   UNL     1       3.753  -1.931  -0.203  1.00  0.00           C  
HETATM   30  C   UNL     1       4.435  -2.887  -0.919  1.00  0.00           C  
HETATM   31  C   UNL     1       4.039  -4.145  -0.430  1.00  0.00           C  
HETATM   32  C   UNL     1       3.118  -3.942   0.580  1.00  0.00           C  
HETATM   33  N   UNL     1       2.950  -2.569   0.719  1.00  0.00           N  
HETATM   34  C   UNL     1       2.066  -1.909   1.683  1.00  0.00           C  
HETATM   35  C   UNL     1       2.653  -5.135   1.143  1.00  0.00           C  
HETATM   36  C   UNL     1       3.159  -6.249   0.629  1.00  0.00           C  
HETATM   37  S   UNL     1       4.301  -5.872  -0.650  1.00  0.00           S  
HETATM   38  H   UNL     1       0.855   8.465  -1.195  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.304   9.120  -0.014  1.00  0.00           H  
HETATM   40  H   UNL     1       1.352   8.716   0.496  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.254   6.974   1.227  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.751   6.723  -0.464  1.00  0.00           H  
HETATM   43  H   UNL     1       0.534   4.660   1.338  1.00  0.00           H  
HETATM   44  H   UNL     1       0.037   4.409  -0.352  1.00  0.00           H  
HETATM   45  H   UNL     1       3.296   5.521  -0.528  1.00  0.00           H  
HETATM   46  H   UNL     1       5.284   4.121  -0.905  1.00  0.00           H  
HETATM   47  H   UNL     1       5.172   1.692  -0.522  1.00  0.00           H  
HETATM   48  H   UNL     1       0.928   1.017   1.367  1.00  0.00           H  
HETATM   49  H   UNL     1       0.149   2.618   1.359  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.067   1.050   2.010  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.243  -0.007   2.467  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.939  -0.389  -1.731  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.768   0.676  -2.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.932  -0.364  -1.091  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.151  -1.963  -1.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.810  -2.705   0.670  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.568  -1.819  -2.116  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.748  -3.431  -1.349  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.937  -1.877  -1.673  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.709  -2.750  -0.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.079   0.066  -0.744  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.128  -1.150   1.713  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.376   0.137   0.727  1.00  0.00           H  
HETATM   64  H   UNL     1       2.411  -0.013   0.929  1.00  0.00           H  
HETATM   65  H   UNL     1       5.145  -2.705  -1.712  1.00  0.00           H  
HETATM   66  H   UNL     1       1.164  -1.568   1.174  1.00  0.00           H  
HETATM   67  H   UNL     1       1.794  -2.614   2.469  1.00  0.00           H  
HETATM   68  H   UNL     1       2.580  -1.055   2.123  1.00  0.00           H  
HETATM   69  H   UNL     1       1.929  -5.148   1.945  1.00  0.00           H  
HETATM   70  H   UNL     1       2.904  -7.248   0.952  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   43   44                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   45                                       
CONECT    7    6    6    8   46                                       
CONECT    8    7    9    9   47                                       
CONECT    9    8    8   10   26                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12   48   49                                       
CONECT   12   11   13                                                 
CONECT   13   14   12   18   18                                       
CONECT   14   15   15   13   50                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   19   17   17                                       
CONECT   17   16   16   18   52                                       
CONECT   18   13   13   17   53                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   54   55                                       
CONECT   21   20   22   25   56                                       
CONECT   22   23   21   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61                                            
CONECT   25   21   24   62   63                                       
CONECT   26    9   27   64                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   33   30   30                                       
CONECT   30   29   29   31   65                                       
CONECT   31   32   32   30   37                                       
CONECT   32   33   35   31   31                                       
CONECT   33   34   29   32                                            
CONECT   34   33   66   67   68                                       
CONECT   35   32   36   36   69                                       
CONECT   36   35   35   37   70                                       
CONECT   37   31   36                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
