COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.041   1.474  -0.404  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.062   1.688  -1.597  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.331   1.409   0.373  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.864   1.295   0.228  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.619   1.245  -0.543  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.688   0.232   0.071  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.003  -0.339   1.094  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.955   2.623  -0.528  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.822   3.109   0.917  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.812   3.612  -1.321  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.824   2.222   1.664  1.00  0.00           C  
HETATM   12  N   UNL     1       3.109  -1.548   0.026  1.00  0.00           N  
HETATM   13  C   UNL     1       3.748  -1.999  -1.212  1.00  0.00           C  
HETATM   14  C   UNL     1       4.294  -3.415  -1.018  1.00  0.00           C  
HETATM   15  C   UNL     1       3.138  -4.368  -0.705  1.00  0.00           C  
HETATM   16  C   UNL     1       4.998  -3.871  -2.297  1.00  0.00           C  
HETATM   17  C   UNL     1       1.706  -1.880   0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       0.803  -0.833  -0.366  1.00  0.00           C  
HETATM   19  O   UNL     1       0.947  -0.901  -1.786  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.654  -1.108   0.012  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.506  -0.040  -0.516  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.091  -2.449  -0.582  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.579  -2.360  -0.841  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.856  -2.662  -0.406  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.037  -3.382   0.760  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.942  -3.801   1.491  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.665  -3.499   1.057  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.483  -2.779  -0.109  1.00  0.00           C  
HETATM   29  S   UNL     1       3.971  -0.662   1.129  1.00  0.00           S  
HETATM   30  O   UNL     1       5.341  -0.966   0.904  1.00  0.00           O  
HETATM   31  O   UNL     1       3.329  -0.849   2.383  1.00  0.00           O  
HETATM   32  C   UNL     1       3.763   1.037   0.710  1.00  0.00           C  
HETATM   33  C   UNL     1       2.717   1.758   1.255  1.00  0.00           C  
HETATM   34  C   UNL     1       4.646   1.646  -0.162  1.00  0.00           C  
HETATM   35  C   UNL     1       2.552   3.091   0.929  1.00  0.00           C  
HETATM   36  C   UNL     1       4.481   2.976  -0.496  1.00  0.00           C  
HETATM   37  C   UNL     1       3.436   3.704   0.054  1.00  0.00           C  
HETATM   38  O   UNL     1       3.275   5.014  -0.269  1.00  0.00           O  
HETATM   39  C   UNL     1       4.223   5.580  -1.176  1.00  0.00           C  
HETATM   40  H   UNL     1      -7.113   1.209   1.423  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.857   2.359   0.286  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.956   0.610  -0.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.841   1.198   1.193  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.840   0.959  -1.571  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.966   2.555  -0.981  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.467   4.140   0.922  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.793   3.057   1.409  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.763   3.760  -0.809  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.289   4.564  -1.400  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.995   3.214  -2.319  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.930   2.089   1.055  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.553   2.695   2.608  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.278   1.251   1.860  1.00  0.00           H  
HETATM   54  H   UNL     1       3.016  -2.000  -2.020  1.00  0.00           H  
HETATM   55  H   UNL     1       4.567  -1.326  -1.464  1.00  0.00           H  
HETATM   56  H   UNL     1       5.003  -3.421  -0.190  1.00  0.00           H  
HETATM   57  H   UNL     1       3.504  -5.395  -0.704  1.00  0.00           H  
HETATM   58  H   UNL     1       2.726  -4.129   0.276  1.00  0.00           H  
HETATM   59  H   UNL     1       2.362  -4.260  -1.462  1.00  0.00           H  
HETATM   60  H   UNL     1       5.821  -3.192  -2.520  1.00  0.00           H  
HETATM   61  H   UNL     1       5.387  -4.879  -2.158  1.00  0.00           H  
HETATM   62  H   UNL     1       4.288  -3.865  -3.124  1.00  0.00           H  
HETATM   63  H   UNL     1       1.482  -2.863  -0.124  1.00  0.00           H  
HETATM   64  H   UNL     1       1.531  -1.889   1.365  1.00  0.00           H  
HETATM   65  H   UNL     1       1.087   0.160  -0.019  1.00  0.00           H  
HETATM   66  H   UNL     1       0.711  -1.759  -2.165  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.747  -1.144   1.097  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.219   0.472  -1.288  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.082  -2.384  -1.670  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.403  -3.231  -0.259  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.437  -1.802  -1.754  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.712  -2.335  -0.978  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.035  -3.617   1.099  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.084  -4.363   2.402  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.809  -3.825   1.629  1.00  0.00           H  
HETATM   76  H   UNL     1       2.029   1.281   1.937  1.00  0.00           H  
HETATM   77  H   UNL     1       5.462   1.080  -0.586  1.00  0.00           H  
HETATM   78  H   UNL     1       1.735   3.654   1.356  1.00  0.00           H  
HETATM   79  H   UNL     1       5.168   3.450  -1.181  1.00  0.00           H  
HETATM   80  H   UNL     1       5.224   5.504  -0.751  1.00  0.00           H  
HETATM   81  H   UNL     1       4.188   5.039  -2.122  1.00  0.00           H  
HETATM   82  H   UNL     1       3.981   6.629  -1.348  1.00  0.00           H  
CONECT    1    4    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   40   41   42                                       
CONECT    4    5    1   43                                            
CONECT    5    6    8    4   44                                       
CONECT    6   21    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    5   10    9   45                                       
CONECT    9    8   11   46   47                                       
CONECT   10    8   48   49   50                                       
CONECT   11    9   51   52   53                                       
CONECT   12   29   13   17                                            
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   16   56                                       
CONECT   15   14   57   58   59                                       
CONECT   16   14   60   61   62                                       
CONECT   17   12   18   63   64                                       
CONECT   18   17   19   20   65                                       
CONECT   19   18   66                                                 
CONECT   20   18   21   22   67                                       
CONECT   21   20    6   68                                            
CONECT   22   20   28   69   70                                       
CONECT   23   24   24   28   71                                       
CONECT   24   23   23   25   72                                       
CONECT   25   24   26   26   73                                       
CONECT   26   25   25   27   74                                       
CONECT   27   26   28   28   75                                       
CONECT   28   22   23   27   27                                       
CONECT   29   32   30   30   31                                       
CONECT   29   31   12                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   33   34   29                                       
CONECT   33   35   32   32   76                                       
CONECT   34   32   36   36   77                                       
CONECT   35   37   37   33   78                                       
CONECT   36   37   34   34   79                                       
CONECT   37   38   35   35   36                                       
CONECT   38   39   37                                                 
CONECT   39   38   80   81   82                                       
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
