COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.862   1.783  -0.839  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.677   0.897  -0.450  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.045   0.063   0.750  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.280  -0.555   0.799  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.609  -1.320   1.908  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.680  -1.435   2.930  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.464  -0.788   2.810  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.183  -0.073   1.738  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.328  -0.009  -1.603  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.257   0.245  -2.331  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.913  -0.519  -3.348  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.670  -1.624  -3.690  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.802  -1.923  -2.948  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.129  -1.100  -1.882  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.524   1.739  -0.124  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.259   1.274   0.161  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.706   0.001   0.231  1.00  0.00           C  
HETATM   18  C   UNL     1       0.637  -0.156   0.551  1.00  0.00           C  
HETATM   19  C   UNL     1       1.222  -1.516   0.624  1.00  0.00           C  
HETATM   20  C   UNL     1       0.722  -2.582   1.309  1.00  0.00           C  
HETATM   21  N   UNL     1       1.536  -3.656   1.137  1.00  0.00           N  
HETATM   22  C   UNL     1       1.314  -4.979   1.726  1.00  0.00           C  
HETATM   23  C   UNL     1       2.599  -3.322   0.330  1.00  0.00           C  
HETATM   24  C   UNL     1       2.446  -1.978  -0.029  1.00  0.00           C  
HETATM   25  C   UNL     1       3.445  -1.360  -0.893  1.00  0.00           C  
HETATM   26  C   UNL     1       4.486  -2.104  -1.318  1.00  0.00           C  
HETATM   27  N   UNL     1       4.611  -3.414  -0.953  1.00  0.00           N  
HETATM   28  C   UNL     1       3.713  -4.028  -0.163  1.00  0.00           C  
HETATM   29  O   UNL     1       3.869  -5.201   0.136  1.00  0.00           O  
HETATM   30  C   UNL     1       1.440   0.960   0.804  1.00  0.00           C  
HETATM   31  C   UNL     1       0.904   2.231   0.738  1.00  0.00           C  
HETATM   32  N   UNL     1       1.706   3.345   0.992  1.00  0.00           N  
HETATM   33  S   UNL     1       3.295   3.343   0.526  1.00  0.00           S  
HETATM   34  O   UNL     1       3.843   2.192   1.153  1.00  0.00           O  
HETATM   35  C   UNL     1       3.239   3.123  -1.274  1.00  0.00           C  
HETATM   36  C   UNL     1       4.665   3.105  -1.830  1.00  0.00           C  
HETATM   37  O   UNL     1       3.757   4.646   0.855  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.452   2.397   0.416  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.321   3.565   0.263  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.540   3.108  -0.064  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.596   2.386  -1.707  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.720   1.156  -1.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.115   2.438  -0.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.980  -0.444  -0.016  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.567  -1.815   1.974  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.902  -2.022   3.808  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.733  -0.875   3.600  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.030  -0.279  -3.921  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.383  -2.247  -4.525  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.413  -2.780  -3.193  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.004  -1.303  -1.282  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.320  -0.866   0.037  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.183  -2.575   1.899  1.00  0.00           H  
HETATM   54  H   UNL     1       0.717  -5.585   1.044  1.00  0.00           H  
HETATM   55  H   UNL     1       2.274  -5.466   1.898  1.00  0.00           H  
HETATM   56  H   UNL     1       0.786  -4.872   2.673  1.00  0.00           H  
HETATM   57  H   UNL     1       3.354  -0.325  -1.187  1.00  0.00           H  
HETATM   58  H   UNL     1       5.234  -1.656  -1.955  1.00  0.00           H  
HETATM   59  H   UNL     1       5.373  -3.919  -1.278  1.00  0.00           H  
HETATM   60  H   UNL     1       2.483   0.828   1.053  1.00  0.00           H  
HETATM   61  H   UNL     1       1.332   4.119   1.440  1.00  0.00           H  
HETATM   62  H   UNL     1       2.746   2.180  -1.509  1.00  0.00           H  
HETATM   63  H   UNL     1       2.684   3.946  -1.724  1.00  0.00           H  
HETATM   64  H   UNL     1       4.631   2.973  -2.911  1.00  0.00           H  
HETATM   65  H   UNL     1       5.158   4.048  -1.594  1.00  0.00           H  
HETATM   66  H   UNL     1       5.220   2.282  -1.380  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.035   4.599   0.386  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.406   3.727  -0.249  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3    9   15                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6    7    5    5   46                                       
CONECT    7    8    8    6   47                                       
CONECT    8    7    7    3                                            
CONECT    9   14   14   10    2                                       
CONECT   10    9   11   11                                            
CONECT   11   12   10   10   48                                       
CONECT   12   13   13   11   49                                       
CONECT   13   12   12   14   50                                       
CONECT   14   13    9    9   51                                       
CONECT   15    2   40   16                                            
CONECT   16   15   17   17   38                                       
CONECT   17   16   16   18   52                                       
CONECT   18   17   19   30   30                                       
CONECT   19   24   18   20   20                                       
CONECT   20   19   19   21   53                                       
CONECT   21   23   20   22                                            
CONECT   22   21   54   55   56                                       
CONECT   23   28   24   24   21                                       
CONECT   24   25   23   23   19                                       
CONECT   25   26   26   24   57                                       
CONECT   26   27   25   25   58                                       
CONECT   27   26   28   59                                            
CONECT   28   27   29   29   23                                       
CONECT   29   28   28                                                 
CONECT   30   18   18   31   60                                       
CONECT   31   38   38   30   32                                       
CONECT   32   31   33   61                                            
CONECT   33   32   34   34   35                                       
CONECT   33   37   37                                                 
CONECT   34   33   33                                                 
CONECT   35   33   36   62   63                                       
CONECT   36   35   64   65   66                                       
CONECT   37   33   33                                                 
CONECT   38   16   39   31   31                                       
CONECT   39   40   40   38   67                                       
CONECT   40   15   39   39   68                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
