COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.239   5.352  -0.316  1.00  0.00           C  
HETATM    2  C   UNL     1       4.287   3.113  -0.177  1.00  0.00           C  
HETATM    3  C   UNL     1       4.323   1.689   0.314  1.00  0.00           C  
HETATM    4  C   UNL     1       5.595   1.006  -0.192  1.00  0.00           C  
HETATM    5  C   UNL     1       5.693  -0.398   0.408  1.00  0.00           C  
HETATM    6  C   UNL     1       6.946  -1.071  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1       6.914  -1.816  -1.255  1.00  0.00           C  
HETATM    8  C   UNL     1       8.064  -2.432  -1.712  1.00  0.00           C  
HETATM    9  C   UNL     1       9.245  -2.304  -1.006  1.00  0.00           C  
HETATM   10  C   UNL     1       9.277  -1.559   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1       8.129  -0.938   0.613  1.00  0.00           C  
HETATM   12  C   UNL     1       1.981   1.035   0.481  1.00  0.00           C  
HETATM   13  C   UNL     1       0.774   0.296  -0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.621   0.417   0.396  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.788   0.653   1.319  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.206   0.699   1.447  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.472   0.510   0.652  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.155   1.609   0.169  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.313   1.438  -0.564  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.793   0.161  -0.818  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.585   1.177  -2.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.110  -0.944  -0.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.948  -0.770   0.402  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.821  -3.137   0.577  1.00  0.00           C  
HETATM   25  C   UNL     1       1.077  -1.179  -0.096  1.00  0.00           C  
HETATM   26  C   UNL     1       1.417  -1.850  -1.198  1.00  0.00           C  
HETATM   27  C   UNL     1       1.649  -3.202  -1.009  1.00  0.00           C  
HETATM   28  C   UNL     1       1.497  -3.629   0.246  1.00  0.00           C  
HETATM   29  N   UNL     1       5.273   3.967   0.162  1.00  0.00           N  
HETATM   30  N   UNL     1       3.149   0.970  -0.188  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.361   0.525   0.862  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.043   0.476   0.577  1.00  0.00           N  
HETATM   33  O   UNL     1       3.372   3.490  -0.878  1.00  0.00           O  
HETATM   34  O   UNL     1       1.901   1.690   1.499  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.815   0.130  -0.766  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.933  -0.006  -1.539  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.273  -1.851   0.873  1.00  0.00           O  
HETATM   38  S   UNL     1       1.043  -2.278   1.277  1.00  0.00           S  
HETATM   39  H   UNL     1       6.111   5.887   0.058  1.00  0.00           H  
HETATM   40  H   UNL     1       5.246   5.361  -1.406  1.00  0.00           H  
HETATM   41  H   UNL     1       4.332   5.839   0.045  1.00  0.00           H  
HETATM   42  H   UNL     1       4.315   1.680   1.404  1.00  0.00           H  
HETATM   43  H   UNL     1       5.561   0.935  -1.279  1.00  0.00           H  
HETATM   44  H   UNL     1       6.465   1.591   0.107  1.00  0.00           H  
HETATM   45  H   UNL     1       5.727  -0.327   1.495  1.00  0.00           H  
HETATM   46  H   UNL     1       4.823  -0.983   0.109  1.00  0.00           H  
HETATM   47  H   UNL     1       5.992  -1.916  -1.807  1.00  0.00           H  
HETATM   48  H   UNL     1       8.039  -3.015  -2.622  1.00  0.00           H  
HETATM   49  H   UNL     1      10.143  -2.787  -1.363  1.00  0.00           H  
HETATM   50  H   UNL     1      10.200  -1.459   0.710  1.00  0.00           H  
HETATM   51  H   UNL     1       8.155  -0.353   1.520  1.00  0.00           H  
HETATM   52  H   UNL     1       0.527   0.657  -1.034  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.750  -0.060   2.143  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.739   1.668   1.714  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.174   1.714   1.843  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.184  -0.013   2.272  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.782   2.604   0.365  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.846   2.299  -0.941  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.866   1.797  -1.153  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.908   1.734  -2.652  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.479   0.902  -2.565  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.482  -1.939  -0.530  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.187  -3.911   1.010  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.823  -3.211   0.999  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.871  -3.271  -0.503  1.00  0.00           H  
HETATM   66  H   UNL     1       1.505  -1.375  -2.164  1.00  0.00           H  
HETATM   67  H   UNL     1       1.931  -3.861  -1.817  1.00  0.00           H  
HETATM   68  H   UNL     1       1.635  -4.647   0.578  1.00  0.00           H  
HETATM   69  H   UNL     1       6.005   3.666   0.723  1.00  0.00           H  
HETATM   70  H   UNL     1       3.213   0.446  -1.002  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.205   0.755   1.791  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.074   1.081  -0.230  1.00  0.00           H  
CONECT    1   29   39   40   41                                       
CONECT    2   29   33   33    3                                       
CONECT    3    2    4   30   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8   10   49                                       
CONECT   10   11   11    9   50                                       
CONECT   11    6   10   10   51                                       
CONECT   12   30   34   34   13                                       
CONECT   13   12   31   25   52                                       
CONECT   14   31   15   35   35                                       
CONECT   15   14   32   53   54                                       
CONECT   16   32   17   55   56                                       
CONECT   17   18   18   23   16                                       
CONECT   18   19   17   17   57                                       
CONECT   19   20   20   18   58                                       
CONECT   20   36   19   19   22                                       
CONECT   21   36   59   60   61                                       
CONECT   22   20   23   23   62                                       
CONECT   23   22   22   17   37                                       
CONECT   24   37   63   64   65                                       
CONECT   25   13   26   26   38                                       
CONECT   26   25   25   27   66                                       
CONECT   27   26   28   28   67                                       
CONECT   28   38   27   27   68                                       
CONECT   29    1    2   69                                            
CONECT   30    3   12   70                                            
CONECT   31   13   14   71                                            
CONECT   32   15   16   72                                            
CONECT   33    2    2                                                 
CONECT   34   12   12                                                 
CONECT   35   14   14                                                 
CONECT   36   21   20                                                 
CONECT   37   23   24                                                 
CONECT   38   25   28                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
