COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.072   0.046  -0.531  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.632  -2.323   0.088  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.883   0.393  -1.254  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.537   0.750   0.041  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.236   1.108   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       0.725   1.112  -0.665  1.00  0.00           C  
HETATM    7  C   UNL     1       0.380   0.755  -1.960  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.921   0.396  -2.254  1.00  0.00           C  
HETATM    9  C   UNL     1       2.943   1.446  -1.454  1.00  0.00           C  
HETATM   10  C   UNL     1       4.321   1.870  -0.939  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.692   3.475  -0.353  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.550   3.238   0.718  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.569   2.000   1.328  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.728   0.980   0.874  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.866   1.218  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.867   2.494  -0.808  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.312  -1.020   0.236  1.00  0.00           C  
HETATM   18  C   UNL     1       6.136   1.247   0.537  1.00  0.00           C  
HETATM   19  C   UNL     1       6.607   0.204   1.517  1.00  0.00           C  
HETATM   20  C   UNL     1       7.821  -0.325   1.393  1.00  0.00           C  
HETATM   21  C   UNL     1       8.840   0.356   0.580  1.00  0.00           C  
HETATM   22  C   UNL     1      10.300  -1.567   0.904  1.00  0.00           C  
HETATM   23  C   UNL     1      11.041   0.438  -0.463  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.117  -2.976   1.211  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.488  -4.194   1.069  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.367  -4.774  -0.187  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.878  -4.129  -1.306  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.508  -2.910  -1.173  1.00  0.00           C  
HETATM   29  N   UNL     1       4.813   0.873   0.021  1.00  0.00           N  
HETATM   30  N   UNL     1      10.026  -0.240   0.347  1.00  0.00           N  
HETATM   31  O   UNL     1      -7.370   4.227   1.163  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.162   0.035  -1.543  1.00  0.00           O  
HETATM   33  O   UNL     1       2.006   1.465  -0.375  1.00  0.00           O  
HETATM   34  O   UNL     1       8.613   1.458   0.117  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.746  -5.975  -0.322  1.00  0.00           O  
HETATM   36  S   UNL     1      -5.536  -0.674   1.441  1.00  0.00           S  
HETATM   37  H   UNL     1      -2.286   0.748   0.820  1.00  0.00           H  
HETATM   38  H   UNL     1       0.033   1.386   1.344  1.00  0.00           H  
HETATM   39  H   UNL     1       1.128   0.759  -2.739  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.189   0.118  -3.263  1.00  0.00           H  
HETATM   41  H   UNL     1       2.617   2.138  -2.231  1.00  0.00           H  
HETATM   42  H   UNL     1       3.003   0.439  -1.866  1.00  0.00           H  
HETATM   43  H   UNL     1       5.015   1.942  -1.777  1.00  0.00           H  
HETATM   44  H   UNL     1       4.242   2.840  -0.448  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.682   4.446  -0.827  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.235   1.820   2.159  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.207   2.692  -1.639  1.00  0.00           H  
HETATM   48  H   UNL     1       6.070   2.213   1.038  1.00  0.00           H  
HETATM   49  H   UNL     1       6.843   1.315  -0.290  1.00  0.00           H  
HETATM   50  H   UNL     1       5.958  -0.115   2.319  1.00  0.00           H  
HETATM   51  H   UNL     1       8.059  -1.254   1.889  1.00  0.00           H  
HETATM   52  H   UNL     1       9.568  -2.279   0.523  1.00  0.00           H  
HETATM   53  H   UNL     1      11.301  -1.884   0.612  1.00  0.00           H  
HETATM   54  H   UNL     1      10.235  -1.526   1.991  1.00  0.00           H  
HETATM   55  H   UNL     1      11.678   1.042   0.184  1.00  0.00           H  
HETATM   56  H   UNL     1      11.649  -0.304  -0.981  1.00  0.00           H  
HETATM   57  H   UNL     1      10.552   1.082  -1.194  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.210  -2.526   2.188  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.089  -4.699   1.936  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.781  -4.583  -2.281  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.909  -2.411  -2.043  1.00  0.00           H  
HETATM   62  H   UNL     1       4.155   0.741   0.774  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.234   4.246   0.730  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.339  -6.735  -0.246  1.00  0.00           H  
CONECT    1   17   17   15   32                                       
CONECT    2   24   17   28   28                                       
CONECT    3   32    8    8    4                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    7    7    5   33                                       
CONECT    7    8    6    6   39                                       
CONECT    8    3    3    7   40                                       
CONECT    9   33   10   41   42                                       
CONECT   10    9   29   43   44                                       
CONECT   11   12   12   16   45                                       
CONECT   12   31   13   11   11                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   36   15                                       
CONECT   15   14   16   16    1                                       
CONECT   16   11   15   15   47                                       
CONECT   17   36    2    1    1                                       
CONECT   18   29   19   48   49                                       
CONECT   19   18   20   20   50                                       
CONECT   20   21   19   19   51                                       
CONECT   21   34   34   30   20                                       
CONECT   22   30   52   53   54                                       
CONECT   23   30   55   56   57                                       
CONECT   24   25   25    2   58                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25   35   27   27                                       
CONECT   27   26   26   28   60                                       
CONECT   28    2    2   27   61                                       
CONECT   29   10   18   62                                            
CONECT   30   23   21   22                                            
CONECT   31   12   63                                                 
CONECT   32    1    3                                                 
CONECT   33    6    9                                                 
CONECT   34   21   21                                                 
CONECT   35   26   64                                                 
CONECT   36   14   17                                                 
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
