COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.184   1.415  -5.835  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.691   0.452  -6.760  1.00  0.00           O  
HETATM    3  CA  UNL     1      -2.662   0.699  -4.587  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.510  -0.131  -4.947  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.768  -0.185  -4.008  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.883   0.627  -3.638  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.248  -0.907  -2.792  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.822  -0.728  -1.628  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.302  -1.451  -0.412  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.862  -0.429   0.638  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.334  -1.162   1.872  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.895  -0.141   2.923  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.366  -0.874   4.158  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.927   0.147   5.209  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.399  -0.586   6.443  1.00  0.00           C  
HETATM   16  C   UNL     1       0.040   0.435   7.494  1.00  0.00           C  
HETATM   17  C   UNL     1       0.568  -0.298   8.728  1.00  0.00           C  
HETATM   18  C   UNL     1       1.008   0.723   9.779  1.00  0.00           C  
HETATM   19  C   UNL     1       1.536  -0.009  11.014  1.00  0.00           C  
HETATM   20  C   UNL     1       1.975   1.011  12.065  1.00  0.00           C  
HETATM   21  C   UNL     1       2.504   0.278  13.299  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.266   0.383  -4.896  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.100   1.535  -4.552  1.00  0.00           O  
HETATM   24  C   UNL     1       0.918  -0.470  -5.265  1.00  0.00           C  
HETATM   25  C   UNL     1       2.202   0.348  -5.123  1.00  0.00           C  
HETATM   26  C   UNL     1       3.405  -0.518  -5.498  1.00  0.00           C  
HETATM   27  C   UNL     1       4.689   0.300  -5.356  1.00  0.00           C  
HETATM   28  C   UNL     1       5.892  -0.566  -5.731  1.00  0.00           C  
HETATM   29  C   UNL     1       7.177   0.252  -5.589  1.00  0.00           C  
HETATM   30  C   UNL     1       8.380  -0.614  -5.964  1.00  0.00           C  
HETATM   31  H1  UNL     1      -3.981   2.103  -5.552  1.00  0.00           H  
HETATM   32  H2  UNL     1      -2.371   1.973  -6.300  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.009   0.944  -7.530  1.00  0.00           H  
HETATM   34  HA  UNL     1      -2.360   1.437  -3.844  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.643  -1.052  -5.222  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.081  -0.912  -4.756  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.545   1.316  -3.049  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.401  -1.571  -2.879  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.669  -0.064  -1.540  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.451  -2.071  -0.694  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.090  -2.081   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.713   0.190   0.920  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.075   0.200   0.225  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.483  -1.782   1.590  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.122  -1.793   2.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.746   0.478   3.205  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.107   0.488   2.510  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.516  -1.494   3.876  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.154  -1.504   4.571  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.778   0.767   5.491  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.139   0.777   4.796  1.00  0.00           H  
HETATM   52  H   UNL     1       0.451  -1.206   6.161  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.186  -1.216   6.856  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.810   1.055   7.776  1.00  0.00           H  
HETATM   55  H   UNL     1       0.827   1.065   7.081  1.00  0.00           H  
HETATM   56  H   UNL     1       1.419  -0.918   8.446  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.219  -0.928   9.141  1.00  0.00           H  
HETATM   58  H   UNL     1       0.157   1.343  10.061  1.00  0.00           H  
HETATM   59  H   UNL     1       1.795   1.353   9.366  1.00  0.00           H  
HETATM   60  H   UNL     1       2.387  -0.629  10.732  1.00  0.00           H  
HETATM   61  H   UNL     1       0.748  -0.639  11.427  1.00  0.00           H  
HETATM   62  H   UNL     1       1.124   1.631  12.347  1.00  0.00           H  
HETATM   63  H   UNL     1       2.763   1.642  11.652  1.00  0.00           H  
HETATM   64  H   UNL     1       2.817   1.006  14.048  1.00  0.00           H  
HETATM   65  H   UNL     1       1.716  -0.351  13.712  1.00  0.00           H  
HETATM   66  H   UNL     1       3.354  -0.341  13.017  1.00  0.00           H  
HETATM   67  H   UNL     1       0.815  -0.808  -6.297  1.00  0.00           H  
HETATM   68  H   UNL     1       0.964  -1.335  -4.603  1.00  0.00           H  
HETATM   69  H   UNL     1       2.305   0.686  -4.092  1.00  0.00           H  
HETATM   70  H   UNL     1       2.157   1.213  -5.785  1.00  0.00           H  
HETATM   71  H   UNL     1       3.302  -0.856  -6.530  1.00  0.00           H  
HETATM   72  H   UNL     1       3.451  -1.383  -4.836  1.00  0.00           H  
HETATM   73  H   UNL     1       4.793   0.638  -4.325  1.00  0.00           H  
HETATM   74  H   UNL     1       4.644   1.165  -6.018  1.00  0.00           H  
HETATM   75  H   UNL     1       5.789  -0.904  -6.763  1.00  0.00           H  
HETATM   76  H   UNL     1       5.938  -1.431  -5.069  1.00  0.00           H  
HETATM   77  H   UNL     1       7.280   0.590  -4.558  1.00  0.00           H  
HETATM   78  H   UNL     1       7.131   1.117  -6.252  1.00  0.00           H  
HETATM   79  H   UNL     1       9.294  -0.031  -5.863  1.00  0.00           H  
HETATM   80  H   UNL     1       8.425  -1.479  -5.302  1.00  0.00           H  
HETATM   81  H   UNL     1       8.276  -0.952  -6.996  1.00  0.00           H  
CONECT    1    2    3   31   32                                       
CONECT    2    1   33                                                 
CONECT    3    1    4    5   34                                       
CONECT    4    3   22   35                                            
CONECT    5    3    6    7   36                                       
CONECT    6    5   37                                                 
CONECT    7    5    8    8   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   10   40   41                                       
CONECT   10    9   11   42   43                                       
CONECT   11   10   12   44   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   64   65   66                                       
CONECT   22    4   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   79   80   81                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
