COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.180   0.626   0.332  1.00  0.00           C  
HETATM    2  C   UNL     1       0.769   1.833  -0.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.020   0.679   0.203  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.740   0.524   1.694  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.591   0.984  -0.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.096   1.305  -0.508  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.054  -1.435   1.186  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.397  -3.476  -1.693  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.354  -4.353  -1.933  1.00  0.00           C  
HETATM   10  C   UNL     1       0.792  -4.292  -1.168  1.00  0.00           C  
HETATM   11  C   UNL     1       2.086  -3.272   0.647  1.00  0.00           C  
HETATM   12  C   UNL     1       3.036   2.488  -0.404  1.00  0.00           C  
HETATM   13  C   UNL     1       4.877   1.075   0.309  1.00  0.00           C  
HETATM   14  N   UNL     1       3.444   1.325   0.131  1.00  0.00           N  
HETATM   15  C   UNL     1       2.554   0.380   0.500  1.00  0.00           C  
HETATM   16  O   UNL     1       2.938  -0.674   0.977  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.563   1.817  -0.279  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.348   0.330   0.294  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.216   0.161   1.874  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.072   1.085   1.002  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.332   1.944  -1.279  1.00  0.00           N  
HETATM   22  N   UNL     1       0.024  -0.096   0.597  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.159  -2.462   0.088  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.299  -2.533  -0.685  1.00  0.00           C  
HETATM   25  C   UNL     1       0.900  -3.340  -0.152  1.00  0.00           C  
HETATM   26  N   UNL     1       3.027  -3.217   1.281  1.00  0.00           N  
HETATM   27  N   UNL     1       1.731   2.762  -0.588  1.00  0.00           N  
HETATM   28  C   UNL     1       1.326   4.042  -1.174  1.00  0.00           C  
HETATM   29  O   UNL     1       3.867   3.314  -0.731  1.00  0.00           O  
HETATM   30  H   UNL     1      -2.130  -0.114   2.333  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.587   1.567   1.972  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.762  -0.026  -0.821  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.924   2.306  -0.113  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.756   1.260  -1.542  1.00  0.00           H  
HETATM   35  H   UNL     1       0.842  -1.625   1.777  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.933  -1.499   1.828  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.292  -3.527  -2.296  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.437  -5.086  -2.722  1.00  0.00           H  
HETATM   39  H   UNL     1       1.605  -4.978  -1.356  1.00  0.00           H  
HETATM   40  H   UNL     1       5.442   1.937  -0.046  1.00  0.00           H  
HETATM   41  H   UNL     1       5.088   0.912   1.366  1.00  0.00           H  
HETATM   42  H   UNL     1       5.165   0.192  -0.261  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.375  -0.875   1.573  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.496   0.284   2.920  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.116   0.779   1.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.970   2.113   1.349  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.308   1.697  -1.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.228   2.847  -0.842  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.117  -1.852  -0.504  1.00  0.00           H  
HETATM   50  H   UNL     1       2.213   4.636  -1.395  1.00  0.00           H  
HETATM   51  H   UNL     1       0.772   3.861  -2.095  1.00  0.00           H  
HETATM   52  H   UNL     1       0.694   4.581  -0.469  1.00  0.00           H  
CONECT    1    2    2   15   22                                       
CONECT    2    1    1   17   27                                       
CONECT    3   17   17   18   22                                       
CONECT    4   18   19   30   31                                       
CONECT    5    6   20   21   32                                       
CONECT    6    5   18   33   34                                       
CONECT    7   22   23   35   36                                       
CONECT    8    9    9   24   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9   25   25   39                                       
CONECT   11   25   26   26   26                                       
CONECT   12   14   27   29   29                                       
CONECT   13   14   40   41   42                                       
CONECT   14   12   13   15                                            
CONECT   15    1   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    2    3    3                                            
CONECT   18    3    4    6                                            
CONECT   19    4   20   43   44                                       
CONECT   20    5   19   45   46                                       
CONECT   21    5   47   48                                            
CONECT   22    1    3    7                                            
CONECT   23    7   24   24   25                                       
CONECT   24    8   23   23   49                                       
CONECT   25   10   10   11   23                                       
CONECT   26   11   11   11                                            
CONECT   27    2   12   28                                            
CONECT   28   27   50   51   52                                       
CONECT   29   12   12                                                 
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
