COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.390  -1.000  -0.237  1.00  0.00           C  
HETATM    2  S   UNL     1       3.171  -1.156   1.098  1.00  0.00           S  
HETATM    3  C   UNL     1       4.925  -2.364  -0.591  1.00  0.00           C  
HETATM    4  C   UNL     1       4.299  -3.121  -1.563  1.00  0.00           C  
HETATM    5  C   UNL     1       4.790  -4.372  -1.887  1.00  0.00           C  
HETATM    6  C   UNL     1       5.907  -4.866  -1.239  1.00  0.00           C  
HETATM    7  C   UNL     1       6.533  -4.108  -0.267  1.00  0.00           C  
HETATM    8  C   UNL     1       6.045  -2.855   0.054  1.00  0.00           C  
HETATM    9  O   UNL     1       1.963  -1.721   0.607  1.00  0.00           O  
HETATM   10  O   UNL     1       3.786  -1.654   2.278  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.196   1.933  -0.108  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.661   1.993  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.243   0.612  -0.166  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.511  -0.337  -0.348  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.162   2.909  -1.142  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.998   2.861  -2.166  1.00  0.00           C  
HETATM   17  C   UNL     1       0.235   2.784  -1.232  1.00  0.00           C  
HETATM   18  N   UNL     1       2.768   0.405   1.474  1.00  0.00           N  
HETATM   19  C   UNL     1       2.110   1.253   0.477  1.00  0.00           C  
HETATM   20  C   UNL     1       0.619   1.222   0.697  1.00  0.00           C  
HETATM   21  O   UNL     1       0.153   0.558   1.598  1.00  0.00           O  
HETATM   22  C   UNL     1       2.616   2.690   0.614  1.00  0.00           C  
HETATM   23  C   UNL     1       4.081   2.742   0.263  1.00  0.00           C  
HETATM   24  C   UNL     1       4.471   2.991  -1.040  1.00  0.00           C  
HETATM   25  C   UNL     1       5.035   2.547   1.245  1.00  0.00           C  
HETATM   26  C   UNL     1       5.814   3.044  -1.361  1.00  0.00           C  
HETATM   27  C   UNL     1       6.378   2.601   0.924  1.00  0.00           C  
HETATM   28  C   UNL     1       6.768   2.849  -0.379  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.577   0.432  -0.106  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.143  -0.910  -0.262  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.645  -0.838  -0.156  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.406  -0.636  -1.293  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.782  -0.568  -1.202  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.403  -0.704   0.039  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.879  -0.633   0.143  1.00  0.00           C  
HETATM   36  N   UNL     1     -10.599  -0.443  -0.925  1.00  0.00           N  
HETATM   37  N   UNL     1     -10.490  -0.769   1.370  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.630  -0.909   1.181  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.256  -0.980   1.077  1.00  0.00           C  
HETATM   40  H   UNL     1       3.914  -0.558  -1.113  1.00  0.00           H  
HETATM   41  H   UNL     1       5.209  -0.362   0.092  1.00  0.00           H  
HETATM   42  H   UNL     1       3.427  -2.736  -2.069  1.00  0.00           H  
HETATM   43  H   UNL     1       4.301  -4.964  -2.647  1.00  0.00           H  
HETATM   44  H   UNL     1       6.290  -5.843  -1.492  1.00  0.00           H  
HETATM   45  H   UNL     1       7.406  -4.493   0.239  1.00  0.00           H  
HETATM   46  H   UNL     1       6.536  -2.262   0.811  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.949   2.407   0.961  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.078   2.513  -1.581  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.315   3.925  -0.779  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.067   1.973  -2.795  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.973   3.766  -2.772  1.00  0.00           H  
HETATM   52  H   UNL     1       0.503   3.778  -0.874  1.00  0.00           H  
HETATM   53  H   UNL     1       1.078   2.328  -1.752  1.00  0.00           H  
HETATM   54  H   UNL     1       2.968   0.759   2.355  1.00  0.00           H  
HETATM   55  H   UNL     1       2.337   0.881  -0.522  1.00  0.00           H  
HETATM   56  H   UNL     1       2.057   3.338  -0.061  1.00  0.00           H  
HETATM   57  H   UNL     1       2.477   3.028   1.641  1.00  0.00           H  
HETATM   58  H   UNL     1       3.726   3.143  -1.807  1.00  0.00           H  
HETATM   59  H   UNL     1       4.730   2.353   2.262  1.00  0.00           H  
HETATM   60  H   UNL     1       6.119   3.238  -2.379  1.00  0.00           H  
HETATM   61  H   UNL     1       7.123   2.448   1.690  1.00  0.00           H  
HETATM   62  H   UNL     1       7.817   2.891  -0.630  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.163   1.191   0.040  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.867  -1.310  -1.237  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.754  -1.561   0.521  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.924  -0.530  -2.253  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.375  -0.409  -2.090  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.565  -0.396  -0.857  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.954  -0.910   2.166  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.457  -0.722   1.439  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.106  -1.015   2.145  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.656  -1.142   1.961  1.00  0.00           H  
CONECT    1    2    3   41   40                                       
CONECT    2    1    9    9   10                                       
CONECT    2   10   18                                                 
CONECT    3    1    4    8    8                                       
CONECT    4    3    5    5   42                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5    7    7   44                                       
CONECT    7    6    6    8   45                                       
CONECT    8    3    3    7   46                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11   20   12   17                                            
CONECT   12   11   13   15   47                                       
CONECT   13   12   14   14   29                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   48   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   11   16   52   53                                       
CONECT   18    2   19   54                                            
CONECT   19   18   22   20   55                                       
CONECT   20   19   21   21   11                                       
CONECT   21   20   20                                                 
CONECT   22   23   19   56   57                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23   26   26   58                                       
CONECT   25   23   23   27   59                                       
CONECT   26   24   24   28   60                                       
CONECT   27   28   28   25   61                                       
CONECT   28   26   27   27   62                                       
CONECT   29   13   30   63                                            
CONECT   30   29   31   64   65                                       
CONECT   31   30   32   39   39                                       
CONECT   32   31   33   33   66                                       
CONECT   33   32   32   34   67                                       
CONECT   34   33   35   38   38                                       
CONECT   35   34   37   36   36                                       
CONECT   36   35   35   68                                            
CONECT   37   35   69   70                                            
CONECT   38   34   34   39   71                                       
CONECT   39   31   31   38   72                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
