COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.447  -0.861  -1.956  1.00  0.00           C  
HETATM    2  C   UNL     1       6.813  -0.892  -0.471  1.00  0.00           C  
HETATM    3  C   UNL     1       6.828  -2.340   0.021  1.00  0.00           C  
HETATM    4  C   UNL     1       8.198  -0.272  -0.273  1.00  0.00           C  
HETATM    5  CA  UNL     1       5.779  -0.093   0.326  1.00  0.00           C  
HETATM    6  C   UNL     1       5.866   1.384  -0.062  1.00  0.00           C  
HETATM    7  O   UNL     1       5.666   1.519  -1.471  1.00  0.00           O  
HETATM    8  N   UNL     1       4.436  -0.598   0.026  1.00  0.00           N  
HETATM    9  C   UNL     1       3.441  -0.438   0.921  1.00  0.00           C  
HETATM   10  O   UNL     1       3.657   0.126   1.976  1.00  0.00           O  
HETATM   11  C   UNL     1       2.087  -0.947   0.619  1.00  0.00           C  
HETATM   12  C   UNL     1       1.840  -1.595  -0.595  1.00  0.00           C  
HETATM   13  C   UNL     1       0.581  -2.072  -0.884  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.457  -1.912   0.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.215  -1.260   1.259  1.00  0.00           C  
HETATM   16  C   UNL     1       1.061  -0.785   1.548  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.307  -1.093   2.237  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.420  -1.509   1.982  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.071  -0.479   3.413  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.808  -2.425  -0.280  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.034  -3.800  -0.417  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.312  -4.231  -0.709  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.333  -3.294  -0.859  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.097  -2.002  -0.726  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.887  -1.541  -0.440  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.671  -0.084  -0.294  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.563   0.344  -0.036  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.704   0.769  -0.446  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.523   2.135  -0.210  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.545   2.883   0.363  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.372   4.234   0.598  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.182   4.850   0.266  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.149   4.108  -0.309  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.322   2.744  -0.541  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.874   4.765  -0.667  1.00  0.00           C  
HETATM   36  O   UNL     1       0.025   4.117  -1.167  1.00  0.00           O  
HETATM   37  N   UNL     1      -0.707   6.083  -0.437  1.00  0.00           N  
HETATM   38  O   UNL     1      -5.589  -3.717  -1.146  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.595  -2.712  -1.288  1.00  0.00           C  
HETATM   40  H   UNL     1       5.388  -1.087  -2.074  1.00  0.00           H  
HETATM   41  H   UNL     1       6.655   0.129  -2.361  1.00  0.00           H  
HETATM   42  H   UNL     1       7.039  -1.604  -2.491  1.00  0.00           H  
HETATM   43  H   UNL     1       7.565  -2.909  -0.546  1.00  0.00           H  
HETATM   44  H   UNL     1       7.088  -2.362   1.080  1.00  0.00           H  
HETATM   45  H   UNL     1       5.841  -2.782  -0.119  1.00  0.00           H  
HETATM   46  H   UNL     1       8.187   0.760  -0.624  1.00  0.00           H  
HETATM   47  H   UNL     1       8.458  -0.294   0.785  1.00  0.00           H  
HETATM   48  H   UNL     1       8.934  -0.841  -0.841  1.00  0.00           H  
HETATM   49  HA  UNL     1       5.978  -0.202   1.392  1.00  0.00           H  
HETATM   50  H1  UNL     1       5.098   1.945   0.470  1.00  0.00           H  
HETATM   51  H2  UNL     1       6.849   1.772   0.204  1.00  0.00           H  
HETATM   52  H   UNL     1       5.708   2.432  -1.788  1.00  0.00           H  
HETATM   53  H   UNL     1       4.264  -1.048  -0.816  1.00  0.00           H  
HETATM   54  H   UNL     1       2.640  -1.722  -1.309  1.00  0.00           H  
HETATM   55  H   UNL     1       0.397  -2.572  -1.824  1.00  0.00           H  
HETATM   56  H   UNL     1       1.253  -0.285   2.486  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.817  -0.393   4.021  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.226  -4.508  -0.297  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.519  -5.285  -0.821  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.573   0.435  -0.720  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.479   2.407   0.625  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.170   4.810   1.043  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.051   5.906   0.451  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.525   2.164  -0.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.424   6.600  -0.038  1.00  0.00           H  
HETATM   66  H   UNL     1       0.129   6.514  -0.672  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.551  -3.184  -1.516  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.681  -2.149  -0.359  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.322  -2.035  -2.098  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    4    3    5    1                                       
CONECT    3    2   43   44   45                                       
CONECT    4    2   46   47   48                                       
CONECT    5    6    2    8   49                                       
CONECT    6    7    5   50   51                                       
CONECT    7    6   52                                                 
CONECT    8    5    9   53                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   16    9   12   12                                       
CONECT   12   11   11   13   54                                       
CONECT   13   14   14   12   55                                       
CONECT   14   15   20   13   13                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15   11   56                                       
CONECT   17   18   18   15   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   57                                                 
CONECT   20   21   14   25   25                                       
CONECT   21   22   22   20   58                                       
CONECT   22   21   21   23   59                                       
CONECT   23   22   38   24   24                                       
CONECT   24   23   23   25                                            
CONECT   25   20   20   24   26                                       
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   60                                            
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   61                                       
CONECT   31   30   32   32   62                                       
CONECT   32   31   31   33   63                                       
CONECT   33   34   34   32   35                                       
CONECT   34   29   33   33   64                                       
CONECT   35   33   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   65   66                                            
CONECT   38   23   39                                                 
CONECT   39   38   67   68   69                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
