COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.991   2.700   0.788  1.00  0.00           C  
HETATM    2  C   UNL     1       6.046   2.884  -0.280  1.00  0.00           C  
HETATM    3  C   UNL     1       6.623   1.531  -0.701  1.00  0.00           C  
HETATM    4  C   UNL     1       5.538   0.711  -1.403  1.00  0.00           C  
HETATM    5  C   UNL     1       6.902   3.414   1.897  1.00  0.00           C  
HETATM    6  C   UNL     1       7.133   3.745   0.406  1.00  0.00           C  
HETATM    7  C   UNL     1       6.159  -0.556  -1.995  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.634  -0.428   0.211  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.832   0.033  -0.639  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.676  -0.943   0.180  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.920  -1.608  -0.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.920  -0.083   0.267  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.250  -0.389   0.090  1.00  0.00           C  
HETATM   14  C   UNL     1       2.184  -0.302   0.140  1.00  0.00           C  
HETATM   15  C   UNL     1       2.603  -1.579   0.872  1.00  0.00           C  
HETATM   16  C   UNL     1       1.583  -1.896   1.968  1.00  0.00           C  
HETATM   17  C   UNL     1       1.933  -3.237   2.617  1.00  0.00           C  
HETATM   18  C   UNL     1       1.614  -0.793   3.028  1.00  0.00           C  
HETATM   19  C   UNL     1       3.249   0.079  -0.856  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.568  -0.456   1.324  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.402  -1.741   0.452  1.00  0.00           C  
HETATM   22  N   UNL     1       0.920  -0.534  -0.563  1.00  0.00           N  
HETATM   23  N   UNL     1       4.503   0.341  -0.435  1.00  0.00           N  
HETATM   24  N   UNL     1       5.495   3.009   1.995  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.688  -0.620   0.374  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.257  -0.066   1.262  1.00  0.00           O  
HETATM   27  O   UNL     1       3.853   2.332   0.584  1.00  0.00           O  
HETATM   28  O   UNL     1       7.247  -0.199  -2.849  1.00  0.00           O  
HETATM   29  O   UNL     1       2.979   0.149  -2.036  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.413  -0.603  -0.555  1.00  0.00           O  
HETATM   31  S   UNL     1       6.767  -1.615  -0.653  1.00  0.00           S  
HETATM   32  H   UNL     1       5.630   3.405  -1.141  1.00  0.00           H  
HETATM   33  H   UNL     1       7.458   1.688  -1.384  1.00  0.00           H  
HETATM   34  H   UNL     1       6.971   0.993   0.181  1.00  0.00           H  
HETATM   35  H   UNL     1       5.094   1.304  -2.202  1.00  0.00           H  
HETATM   36  H   UNL     1       7.553   2.597   2.207  1.00  0.00           H  
HETATM   37  H   UNL     1       7.086   4.296   2.511  1.00  0.00           H  
HETATM   38  H   UNL     1       8.130   3.440   0.088  1.00  0.00           H  
HETATM   39  H   UNL     1       6.970   4.805   0.211  1.00  0.00           H  
HETATM   40  H   UNL     1       5.407  -1.095  -2.570  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.486   0.164   1.113  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.100   1.078  -0.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.752  -0.236  -1.692  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.016  -1.483  -1.490  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.064  -2.639  -0.088  1.00  0.00           H  
HETATM   46  H   UNL     1       2.056   0.505   0.861  1.00  0.00           H  
HETATM   47  H   UNL     1       2.645  -2.406   0.164  1.00  0.00           H  
HETATM   48  H   UNL     1       3.586  -1.434   1.321  1.00  0.00           H  
HETATM   49  H   UNL     1       0.586  -1.952   1.531  1.00  0.00           H  
HETATM   50  H   UNL     1       2.930  -3.180   3.053  1.00  0.00           H  
HETATM   51  H   UNL     1       1.207  -3.462   3.398  1.00  0.00           H  
HETATM   52  H   UNL     1       1.911  -4.022   1.862  1.00  0.00           H  
HETATM   53  H   UNL     1       2.611  -0.736   3.464  1.00  0.00           H  
HETATM   54  H   UNL     1       1.365   0.162   2.565  1.00  0.00           H  
HETATM   55  H   UNL     1       0.888  -1.019   3.808  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.607  -1.138   2.173  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.385   0.579   1.615  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.200  -2.510  -0.294  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.327  -2.110   1.474  1.00  0.00           H  
HETATM   60  H   UNL     1       0.925  -0.793  -1.498  1.00  0.00           H  
HETATM   61  H   UNL     1       4.719   0.285   0.509  1.00  0.00           H  
HETATM   62  H   UNL     1       4.994   2.969   2.825  1.00  0.00           H  
HETATM   63  H   UNL     1       6.995   0.368  -3.591  1.00  0.00           H  
HETATM   64  O   UNL     1       7.680  -0.903   0.170  1.00  0.00           O  
HETATM   65  O   UNL     1       5.552  -1.834   0.238  1.00  0.00           O  
HETATM   66  O   UNL     1       7.080  -2.911  -1.143  1.00  0.00           O  
HETATM   67  H   UNL     1       5.725  -2.391   1.009  1.00  0.00           H  
HETATM   68  C   UNL     1      -8.826  -0.494  -0.864  1.00  0.00           C  
HETATM   69  C   UNL     1     -10.134   0.247  -0.756  1.00  0.00           C  
HETATM   70  C   UNL     1     -10.289   1.469  -1.382  1.00  0.00           C  
HETATM   71  C   UNL     1     -11.489   2.149  -1.283  1.00  0.00           C  
HETATM   72  C   UNL     1     -12.533   1.606  -0.557  1.00  0.00           C  
HETATM   73  C   UNL     1     -12.377   0.384   0.069  1.00  0.00           C  
HETATM   74  C   UNL     1     -11.179  -0.298  -0.034  1.00  0.00           C  
HETATM   75  H   UNL     1      -8.351  -0.255  -1.816  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.011  -1.567  -0.810  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.474   1.893  -1.949  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.611   3.104  -1.771  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.470   2.138  -0.479  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.193  -0.040   0.636  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.058  -1.253   0.454  1.00  0.00           H  
HETATM   82  O   UNL     1      -8.299   0.732   1.082  1.00  0.00           O  
CONECT    1   27   27   24    2                                       
CONECT    2    1    3    6   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3   23    7   35                                       
CONECT    5   24    6   36   37                                       
CONECT    6    2    5   38   39                                       
CONECT    7   31    4   28   40                                       
CONECT    8   21    9   30   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10   20   21    9   11                                       
CONECT   11   10   25   44   45                                       
CONECT   12   25   68   82   82                                       
CONECT   13   26   26   30   22                                       
CONECT   14   22   19   15   46                                       
CONECT   15   14   16   47   48                                       
CONECT   16   17   15   18   49                                       
CONECT   17   16   50   51   52                                       
CONECT   18   16   53   54   55                                       
CONECT   19   23   14   29   29                                       
CONECT   20   10   25   56   57                                       
CONECT   21    8   10   58   59                                       
CONECT   22   13   14   60                                            
CONECT   23    4   19   61                                            
CONECT   24    1    5   62                                            
CONECT   25   20   12   11                                            
CONECT   26   13   13                                                 
CONECT   27    1    1                                                 
CONECT   28    7   63                                                 
CONECT   29   19   19                                                 
CONECT   30    8   13                                                 
CONECT   31    7   64   64   65                                       
CONECT   31   66   66                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   31   31                                                 
CONECT   65   31   67                                                 
CONECT   66   31   31                                                 
CONECT   67   65                                                      
CONECT   68   12   69   75   76                                       
CONECT   69   68   70   74   74                                       
CONECT   70   69   71   71   77                                       
CONECT   71   70   70   72   78                                       
CONECT   72   71   73   73   79                                       
CONECT   73   72   72   74   80                                       
CONECT   74   73   69   69   81                                       
CONECT   75   68                                                      
CONECT   76   68                                                      
CONECT   77   70                                                      
CONECT   78   71                                                      
CONECT   79   72                                                      
CONECT   80   73                                                      
CONECT   81   74                                                      
CONECT   82   12   12                                                 
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
