COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.480   2.354   1.348  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.919   1.132   0.661  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.785   0.293   1.608  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.002   0.989   1.887  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.097  -1.046   0.931  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.778  -1.900   1.852  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.785  -1.702   0.495  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.084  -3.055  -0.154  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.856  -3.720  -0.456  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.115  -0.864  -0.446  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.696   0.312   0.243  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.868   1.097  -0.617  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.689   0.329  -0.869  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.833  -0.488  -2.178  1.00  0.00           C  
HETATM   15  C   UNL     1       0.619  -0.730  -2.639  1.00  0.00           C  
HETATM   16  C   UNL     1       1.477   0.376  -1.989  1.00  0.00           C  
HETATM   17  C   UNL     1       2.431  -0.328  -1.053  1.00  0.00           C  
HETATM   18  C   UNL     1       3.388   0.188  -0.234  1.00  0.00           C  
HETATM   19  C   UNL     1       4.177  -0.661   0.562  1.00  0.00           C  
HETATM   20  C   UNL     1       5.167  -0.146   1.413  1.00  0.00           C  
HETATM   21  C   UNL     1       5.918  -0.995   2.168  1.00  0.00           C  
HETATM   22  C   UNL     1       5.719  -2.373   2.111  1.00  0.00           C  
HETATM   23  C   UNL     1       4.768  -2.910   1.299  1.00  0.00           C  
HETATM   24  C   UNL     1       3.971  -2.064   0.506  1.00  0.00           C  
HETATM   25  C   UNL     1       2.980  -2.581  -0.336  1.00  0.00           C  
HETATM   26  C   UNL     1       2.210  -1.715  -1.113  1.00  0.00           C  
HETATM   27  C   UNL     1       1.117  -2.033  -2.071  1.00  0.00           C  
HETATM   28  O   UNL     1       0.706  -3.143  -2.336  1.00  0.00           O  
HETATM   29  C   UNL     1       0.510   1.251  -1.173  1.00  0.00           C  
HETATM   30  C   UNL     1       1.160   1.711   0.101  1.00  0.00           C  
HETATM   31  C   UNL     1       1.469   0.748   1.054  1.00  0.00           C  
HETATM   32  C   UNL     1       2.082   1.101   2.238  1.00  0.00           C  
HETATM   33  C   UNL     1       2.396   2.427   2.477  1.00  0.00           C  
HETATM   34  C   UNL     1       2.086   3.384   1.535  1.00  0.00           C  
HETATM   35  C   UNL     1       1.462   3.033   0.343  1.00  0.00           C  
HETATM   36  C   UNL     1       1.148   4.146  -0.621  1.00  0.00           C  
HETATM   37  C   UNL     1       0.979   3.625  -2.046  1.00  0.00           C  
HETATM   38  C   UNL     1       0.051   2.427  -1.991  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.006   2.417  -2.576  1.00  0.00           O  
HETATM   40  H   UNL     1      -2.914   2.869   0.691  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.308   2.906   1.514  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.499   1.399  -0.223  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.244   0.116   2.538  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.514   0.427   2.485  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.727  -0.875   0.058  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.955  -2.729   1.386  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.147  -1.851   1.366  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.669  -3.666   0.533  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.649  -2.900  -1.073  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.089  -4.566  -0.862  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.131   0.030   1.132  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.469  -0.326  -0.026  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.334  -1.436  -1.982  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.381   0.085  -2.926  1.00  0.00           H  
HETATM   55  H   UNL     1       0.700  -0.712  -3.726  1.00  0.00           H  
HETATM   56  H   UNL     1       2.014   0.955  -2.740  1.00  0.00           H  
HETATM   57  H   UNL     1       3.543   1.256  -0.196  1.00  0.00           H  
HETATM   58  H   UNL     1       5.334   0.920   1.470  1.00  0.00           H  
HETATM   59  H   UNL     1       6.679  -0.595   2.821  1.00  0.00           H  
HETATM   60  H   UNL     1       6.329  -3.025   2.719  1.00  0.00           H  
HETATM   61  H   UNL     1       4.625  -3.980   1.264  1.00  0.00           H  
HETATM   62  H   UNL     1       2.812  -3.646  -0.385  1.00  0.00           H  
HETATM   63  H   UNL     1       1.228  -0.287   0.866  1.00  0.00           H  
HETATM   64  H   UNL     1       2.317   0.346   2.974  1.00  0.00           H  
HETATM   65  H   UNL     1       2.881   2.711   3.400  1.00  0.00           H  
HETATM   66  H   UNL     1       2.332   4.418   1.725  1.00  0.00           H  
HETATM   67  H   UNL     1       1.961   4.872  -0.602  1.00  0.00           H  
HETATM   68  H   UNL     1       0.226   4.637  -0.309  1.00  0.00           H  
HETATM   69  H   UNL     1       1.947   3.326  -2.448  1.00  0.00           H  
HETATM   70  H   UNL     1       0.542   4.402  -2.674  1.00  0.00           H  
CONECT    1    2   40   41                                            
CONECT    2    1    3   11   42                                       
CONECT    3    2    4    5   43                                       
CONECT    4    3   44                                                 
CONECT    5    3    6    7   45                                       
CONECT    6    5   46                                                 
CONECT    7    5    8   10   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9    8   50                                                 
CONECT   10    7   11                                                 
CONECT   11    2   10   12   51                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   29   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   27   55                                       
CONECT   16   15   17   29   56                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   58                                       
CONECT   21   20   22   22   59                                       
CONECT   22   21   21   23   60                                       
CONECT   23   22   24   24   61                                       
CONECT   24   19   23   23   25                                       
CONECT   25   24   26   26   62                                       
CONECT   26   17   25   25   27                                       
CONECT   27   15   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   13   16   30   38                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35   66                                       
CONECT   35   30   34   34   36                                       
CONECT   36   35   37   67   68                                       
CONECT   37   36   38   69   70                                       
CONECT   38   29   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
