COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.016  -0.621  -2.067  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.259  -1.296  -1.109  1.00  0.00           C  
HETATM    3  C   UNL     1       0.949  -3.068   0.624  1.00  0.00           C  
HETATM    4  C   UNL     1       2.737  -1.084   1.745  1.00  0.00           C  
HETATM    5  C   UNL     1       2.471  -3.140   0.489  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.822   3.202  -0.518  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.909   3.048   0.700  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.040   4.281   1.596  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.457   2.904   0.236  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.320   1.637  -0.610  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.467  -0.779  -0.548  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.983  -0.958  -0.744  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.373  -0.456  -1.879  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.240  -1.638   0.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.882  -1.805   0.032  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.804  -1.472  -1.301  1.00  0.00           C  
HETATM   17  C   UNL     1       0.366  -2.299  -0.564  1.00  0.00           C  
HETATM   18  C   UNL     1       0.590  -2.345   1.925  1.00  0.00           C  
HETATM   19  C   UNL     1       1.222  -0.951   1.917  1.00  0.00           C  
HETATM   20  C   UNL     1       4.392  -1.804   0.233  1.00  0.00           C  
HETATM   21  C   UNL     1       6.319  -2.990  -0.205  1.00  0.00           C  
HETATM   22  C   UNL     1       6.483  -0.695  -0.087  1.00  0.00           C  
HETATM   23  C   UNL     1       6.627   1.767   0.046  1.00  0.00           C  
HETATM   24  C   UNL     1       7.671   2.847  -0.079  1.00  0.00           C  
HETATM   25  C   UNL     1       7.930   3.418  -1.311  1.00  0.00           C  
HETATM   26  C   UNL     1       8.888   4.407  -1.427  1.00  0.00           C  
HETATM   27  C   UNL     1       9.587   4.826  -0.310  1.00  0.00           C  
HETATM   28  C   UNL     1       9.328   4.255   0.922  1.00  0.00           C  
HETATM   29  C   UNL     1       8.366   3.269   1.038  1.00  0.00           C  
HETATM   30  C   UNL     1       5.119  -0.619   0.174  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.121   0.562   0.603  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.312   1.798   1.486  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.716   0.469   0.186  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.076  -2.125  -0.374  1.00  0.00           N  
HETATM   35  N   UNL     1       3.029  -1.782   0.484  1.00  0.00           N  
HETATM   36  N   UNL     1       5.024  -2.960   0.040  1.00  0.00           N  
HETATM   37  N   UNL     1       7.041  -1.890  -0.269  1.00  0.00           N  
HETATM   38  N   UNL     1       7.251   0.458  -0.156  1.00  0.00           N  
HETATM   39  O   UNL     1       0.408  -4.390   0.648  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.264  -1.028  -2.296  1.00  0.00           O  
HETATM   41  H   UNL     1      -3.540  -0.224  -2.952  1.00  0.00           H  
HETATM   42  H   UNL     1       3.188  -0.092   1.724  1.00  0.00           H  
HETATM   43  H   UNL     1       3.148  -1.653   2.578  1.00  0.00           H  
HETATM   44  H   UNL     1       2.884  -3.700   1.328  1.00  0.00           H  
HETATM   45  H   UNL     1       2.730  -3.642  -0.444  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.730   2.322  -1.155  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.855   3.305  -0.187  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.531   4.090  -1.080  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.074   4.382   1.928  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.389   4.171   2.464  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.750   5.170   1.036  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.178   3.773  -0.360  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.803   2.834   1.106  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.964   1.714  -1.487  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.284   1.524  -0.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.959  -0.733  -1.519  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.862  -1.620   0.021  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.960   0.067  -2.620  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.725  -2.039   1.083  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.302  -2.329   0.777  1.00  0.00           H  
HETATM   61  H   UNL     1       0.844  -1.322  -0.634  1.00  0.00           H  
HETATM   62  H   UNL     1       0.547  -2.859  -1.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.494  -2.253   2.004  1.00  0.00           H  
HETATM   64  H   UNL     1       0.970  -2.913   2.774  1.00  0.00           H  
HETATM   65  H   UNL     1       1.006  -0.447   2.859  1.00  0.00           H  
HETATM   66  H   UNL     1       0.812  -0.370   1.091  1.00  0.00           H  
HETATM   67  H   UNL     1       6.802  -3.944  -0.357  1.00  0.00           H  
HETATM   68  H   UNL     1       6.180   1.808   1.040  1.00  0.00           H  
HETATM   69  H   UNL     1       5.853   1.921  -0.706  1.00  0.00           H  
HETATM   70  H   UNL     1       7.383   3.091  -2.184  1.00  0.00           H  
HETATM   71  H   UNL     1       9.090   4.853  -2.389  1.00  0.00           H  
HETATM   72  H   UNL     1      10.336   5.599  -0.400  1.00  0.00           H  
HETATM   73  H   UNL     1       9.872   4.585   1.795  1.00  0.00           H  
HETATM   74  H   UNL     1       8.164   2.823   2.001  1.00  0.00           H  
HETATM   75  H   UNL     1       4.636   0.335   0.326  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.394  -0.331   1.165  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.757   0.645  -0.279  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.687   1.709   2.375  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.358   1.875   1.783  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.506  -2.479   0.420  1.00  0.00           H  
HETATM   81  H   UNL     1       8.202   0.397  -0.338  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.555  -4.420   0.733  1.00  0.00           H  
CONECT    1   13    2    2   41                                       
CONECT    2    1    1   15   16                                       
CONECT    3   18    5   17   39                                       
CONECT    4   19   35   42   43                                       
CONECT    5   35    3   44   45                                       
CONECT    6    7   46   47   48                                       
CONECT    7   32    6    9    8                                       
CONECT    8    7   49   50   51                                       
CONECT    9   10    7   52   53                                       
CONECT   10   33    9   54   55                                       
CONECT   11   33   12   56   57                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12    1   58                                       
CONECT   14   12   15   15   59                                       
CONECT   15   14   14    2   60                                       
CONECT   16    2   40   40   34                                       
CONECT   17   34    3   61   62                                       
CONECT   18   19    3   63   64                                       
CONECT   19    4   18   65   66                                       
CONECT   20   30   35   36   36                                       
CONECT   21   37   37   36   67                                       
CONECT   22   38   30   30   37                                       
CONECT   23   24   38   68   69                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   70                                       
CONECT   26   27   27   25   71                                       
CONECT   27   28   26   26   72                                       
CONECT   28   29   29   27   73                                       
CONECT   29   28   28   24   74                                       
CONECT   30   22   22   20   75                                       
CONECT   31   32   33   76   77                                       
CONECT   32   31    7   78   79                                       
CONECT   33   31   11   10                                            
CONECT   34   16   17   80                                            
CONECT   35    4   20    5                                            
CONECT   36   20   20   21                                            
CONECT   37   22   21   21                                            
CONECT   38   23   22   81                                            
CONECT   39    3   82                                                 
CONECT   40   16   16                                                 
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
