COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.022  -2.882  -0.128  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.080  -5.116  -0.329  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.405  -1.060   0.051  1.00  0.00           C  
HETATM    4  C   UNL     1       0.448   0.106  -0.369  1.00  0.00           C  
HETATM    5  C   UNL     1       3.967  -0.225  -0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       5.321  -0.170   0.308  1.00  0.00           C  
HETATM    7  C   UNL     1       6.438  -0.522  -0.446  1.00  0.00           C  
HETATM    8  C   UNL     1       7.847  -0.068   1.436  1.00  0.00           C  
HETATM    9  C   UNL     1       5.480   0.239   1.630  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.598   4.168   0.697  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.384   2.783   0.423  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.899   2.453   0.593  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.526   2.629   1.961  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.649   1.001   0.180  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.022   0.824  -1.189  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.165   0.671   0.350  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.880  -0.731  -0.205  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.730  -1.713   0.474  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.901  -3.889   0.567  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.248  -4.312   1.885  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.582  -3.122  -1.233  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.037  -2.216  -0.703  1.00  0.00           O  
HETATM   23  N   UNL     1       1.803  -0.095  -0.575  1.00  0.00           N  
HETATM   24  C   UNL     1       2.803   0.091   0.333  1.00  0.00           C  
HETATM   25  C   UNL     1       7.695  -0.469   0.121  1.00  0.00           C  
HETATM   26  C   UNL     1       6.742   0.288   2.188  1.00  0.00           C  
HETATM   27  N   UNL     1       3.687  -0.590  -1.557  1.00  0.00           N  
HETATM   28  N   UNL     1       2.418  -0.523  -1.761  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.059   1.329  -0.552  1.00  0.00           C  
HETATM   30  C   UNL     1       0.845   2.411  -0.955  1.00  0.00           C  
HETATM   31  O   UNL     1       0.389   3.678  -1.030  1.00  0.00           O  
HETATM   32  O   UNL     1       2.006   2.165  -1.222  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.375   1.613  -0.380  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.106  -5.562  -0.533  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.715  -5.845   0.174  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.544  -4.815  -1.268  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.256  -1.255   1.113  1.00  0.00           H  
HETATM   38  H   UNL     1       6.321  -0.836  -1.473  1.00  0.00           H  
HETATM   39  H   UNL     1       8.833  -0.027   1.876  1.00  0.00           H  
HETATM   40  H   UNL     1       4.618   0.517   2.218  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.519   4.449   0.608  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.972   2.180   1.115  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.689   2.563  -0.600  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.305   3.117  -0.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.016   2.068   2.578  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.243   0.337   0.807  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.532   1.385  -1.805  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.899   0.709   1.406  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.080  -0.750  -1.276  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.082  -1.521   1.357  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.874  -3.443   0.771  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.121  -3.438   2.524  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.884  -5.040   2.388  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.275  -4.758   1.682  1.00  0.00           H  
HETATM   55  H   UNL     1       0.886  -2.483  -0.589  1.00  0.00           H  
HETATM   56  H   UNL     1       2.693   0.425   1.355  1.00  0.00           H  
HETATM   57  H   UNL     1       8.562  -0.742  -0.463  1.00  0.00           H  
HETATM   58  H   UNL     1       6.866   0.605   3.213  1.00  0.00           H  
HETATM   59  H   UNL     1       1.023   4.357  -1.300  1.00  0.00           H  
CONECT    1   18   19   21   21                                       
CONECT    2   19   34   35   36                                       
CONECT    3    4   17   22   37                                       
CONECT    4   29   29    3   23                                       
CONECT    5   27   24   24    6                                       
CONECT    6    5    9    9    7                                       
CONECT    7    6   25   25   38                                       
CONECT    8   26   26   25   39                                       
CONECT    9    6    6   26   40                                       
CONECT   10   11   41                                                 
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   14   44                                       
CONECT   13   12   45                                                 
CONECT   14   12   16   15   46                                       
CONECT   15   14   47                                                 
CONECT   16   14   33   17   48                                       
CONECT   17   16   18    3   49                                       
CONECT   18   17    1   50                                            
CONECT   19   20    1    2   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21    1    1                                                 
CONECT   22    3   55                                                 
CONECT   23   28    4   24                                            
CONECT   24   23    5    5   56                                       
CONECT   25    7    7    8   57                                       
CONECT   26    9    8    8   58                                       
CONECT   27   28   28    5                                            
CONECT   28   27   27   23                                            
CONECT   29   33   30    4    4                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   59                                                 
CONECT   32   30   30                                                 
CONECT   33   16   29                                                 
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
