COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.695   3.508  -0.334  1.00  0.00           C  
HETATM    2  C   UNL     1       2.425   2.981  -0.448  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   1.743   0.124  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.077  -0.538   0.628  1.00  0.00           N  
HETATM    5  C   UNL     1       0.772   1.171   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       0.607  -0.217  -0.125  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.283   1.974   0.029  1.00  0.00           N  
HETATM    8  C   UNL     1       1.785  -1.116  -0.145  1.00  0.00           C  
HETATM    9  C   UNL     1       1.822  -2.234   0.690  1.00  0.00           C  
HETATM   10  C   UNL     1       2.915  -3.070   0.672  1.00  0.00           C  
HETATM   11  C   UNL     1       3.988  -2.800  -0.183  1.00  0.00           C  
HETATM   12  C   UNL     1       5.128  -3.666  -0.199  1.00  0.00           C  
HETATM   13  C   UNL     1       3.949  -1.680  -1.018  1.00  0.00           C  
HETATM   14  C   UNL     1       2.852  -0.848  -1.002  1.00  0.00           C  
HETATM   15  N   UNL     1       6.032  -4.354  -0.211  1.00  0.00           N  
HETATM   16  C   UNL     1       6.065   3.389   0.461  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.029  -0.313  -0.315  1.00  0.00           O  
HETATM   18  C   UNL     1       4.680   2.808   0.340  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.684  -0.736  -0.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.755   0.149  -0.210  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.076   0.659  -0.281  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.428  -0.045  -0.411  1.00  0.00           C  
HETATM   23  C   UNL     1       4.398   1.578   0.906  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.666  -0.927   0.817  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.046  -1.580   0.711  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.897   0.293  -0.569  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.543   1.002  -0.501  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.511   1.510  -0.073  1.00  0.00           C  
HETATM   29  C   UNL     1       3.128   1.045   0.808  1.00  0.00           C  
HETATM   30  H   UNL     1       3.923   4.466  -0.777  1.00  0.00           H  
HETATM   31  H   UNL     1       1.658   3.526  -0.978  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.002  -0.941   0.653  1.00  0.00           H  
HETATM   33  H   UNL     1       0.994  -2.443   1.350  1.00  0.00           H  
HETATM   34  H   UNL     1       2.944  -3.935   1.318  1.00  0.00           H  
HETATM   35  H   UNL     1       4.777  -1.469  -1.679  1.00  0.00           H  
HETATM   36  H   UNL     1       2.822   0.018  -1.648  1.00  0.00           H  
HETATM   37  H   UNL     1       6.128   3.994   1.365  1.00  0.00           H  
HETATM   38  H   UNL     1       6.795   2.582   0.511  1.00  0.00           H  
HETATM   39  H   UNL     1       6.274   4.014  -0.408  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.847  -1.799  -0.336  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.037   1.202   0.663  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.949   1.358  -1.108  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.434  -0.661  -1.310  1.00  0.00           H  
HETATM   44  H   UNL     1       5.170   1.036   1.431  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.900  -1.701   0.863  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.620  -0.316   1.719  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.224  -2.198   1.591  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.086  -2.202  -0.183  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.933  -0.337  -1.457  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.693   1.036  -0.618  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.511   1.643   0.380  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.403   1.607  -1.397  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.343   2.198  -0.049  1.00  0.00           H  
HETATM   54  H   UNL     1       2.909   0.084   1.249  1.00  0.00           H  
CONECT    1   18   18    2   30                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2   29    5                                       
CONECT    4   25   26   32                                            
CONECT    5    3    6    6    7                                       
CONECT    6    8    5    5   19                                       
CONECT    7    5   28   28                                            
CONECT    8   14   14    9    6                                       
CONECT    9   10   10    8   33                                       
CONECT   10   11    9    9   34                                       
CONECT   11   12   13   13   10                                       
CONECT   12   15   15   15   11                                       
CONECT   13   11   11   14   35                                       
CONECT   14   13    8    8   36                                       
CONECT   15   12   12   12                                            
CONECT   16   18   37   38   39                                       
CONECT   17   20   21                                                 
CONECT   18   16    1    1   23                                       
CONECT   19    6   20   20   40                                       
CONECT   20   19   19   28   17                                       
CONECT   21   17   22   41   42                                       
CONECT   22   21   27   24   43                                       
CONECT   23   18   29   29   44                                       
CONECT   24   22   25   45   46                                       
CONECT   25   24    4   47   48                                       
CONECT   26   27    4   49   50                                       
CONECT   27   22   26   51   52                                       
CONECT   28    7    7   20   53                                       
CONECT   29   23   23    3   54                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
