COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.054  -1.620   0.184  1.00  0.00           C  
HETATM    2  C   UNL     1       5.308  -1.574   0.790  1.00  0.00           C  
HETATM    3  C   UNL     1       5.939  -3.435  -0.384  1.00  0.00           C  
HETATM    4  C   UNL     1       4.693  -3.480  -0.994  1.00  0.00           C  
HETATM    5  C   UNL     1       3.030  -0.602   0.517  1.00  0.00           C  
HETATM    6  C   UNL     1       0.806   0.359   0.260  1.00  0.00           C  
HETATM    7  C   UNL     1       1.018   1.600  -0.610  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.688  -1.338  -0.417  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.567  -0.206   0.002  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.661   0.546   0.236  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.995  -0.003  -0.015  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.915   0.334   1.161  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.288  -0.231   0.903  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.234   0.527   0.238  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.491   0.007  -0.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.803  -1.272   0.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.857  -2.030   1.083  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.599  -1.510   1.325  1.00  0.00           C  
HETATM   19  B   UNL     1      -3.579   0.621  -1.332  1.00  0.00           B  
HETATM   20  O   UNL     1      -3.762   2.026  -1.431  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.924  -0.219  -2.423  1.00  0.00           O  
HETATM   22  C   UNL     1       2.340   2.236  -0.264  1.00  0.00           C  
HETATM   23  C   UNL     1       2.406   3.196   0.728  1.00  0.00           C  
HETATM   24  C   UNL     1       3.619   3.779   1.046  1.00  0.00           C  
HETATM   25  C   UNL     1       4.765   3.401   0.372  1.00  0.00           C  
HETATM   26  C   UNL     1       4.699   2.440  -0.619  1.00  0.00           C  
HETATM   27  C   UNL     1       3.487   1.854  -0.934  1.00  0.00           C  
HETATM   28  N   UNL     1       1.818  -0.647  -0.070  1.00  0.00           N  
HETATM   29  O   UNL     1       3.283   0.274   1.321  1.00  0.00           O  
HETATM   30  N   UNL     1       3.780  -2.576  -0.700  1.00  0.00           N  
HETATM   31  N   UNL     1       6.218  -2.484   0.489  1.00  0.00           N  
HETATM   32  H   UNL     1       5.536  -0.797   1.504  1.00  0.00           H  
HETATM   33  H   UNL     1       6.685  -4.177  -0.628  1.00  0.00           H  
HETATM   34  H   UNL     1       4.470  -4.259  -1.708  1.00  0.00           H  
HETATM   35  H   UNL     1       0.895   0.632   1.311  1.00  0.00           H  
HETATM   36  H   UNL     1       1.018   1.312  -1.661  1.00  0.00           H  
HETATM   37  H   UNL     1       0.214   2.313  -0.428  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.564   1.452   0.570  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.928  -1.086  -0.125  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.509  -0.099   2.075  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.982   1.416   1.270  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.990   1.526  -0.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.231   0.599  -0.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.786  -1.678   0.232  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.101  -3.029   1.414  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.859  -2.104   1.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.126   2.316  -2.279  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.275   0.256  -3.189  1.00  0.00           H  
HETATM   49  H   UNL     1       1.511   3.492   1.255  1.00  0.00           H  
HETATM   50  H   UNL     1       3.670   4.530   1.820  1.00  0.00           H  
HETATM   51  H   UNL     1       5.712   3.857   0.620  1.00  0.00           H  
HETATM   52  H   UNL     1       5.594   2.145  -1.146  1.00  0.00           H  
HETATM   53  H   UNL     1       3.436   1.100  -1.706  1.00  0.00           H  
HETATM   54  H   UNL     1       1.616  -1.347  -0.712  1.00  0.00           H  
CONECT    1    2    2   30    5                                       
CONECT    2   31    1    1   32                                       
CONECT    3   31   31    4   33                                       
CONECT    4    3   30   30   34                                       
CONECT    5    1   29   29   28                                       
CONECT    6   28    7    9   35                                       
CONECT    7    6   22   36   37                                       
CONECT    8    9    9                                                 
CONECT    9    6    8    8   10                                       
CONECT   10    9   11   38                                            
CONECT   11   10   12   19   39                                       
CONECT   12   13   11   40   41                                       
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   42                                       
CONECT   15   16   16   14   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   13   46                                       
CONECT   19   11   21   20                                            
CONECT   20   19   47                                                 
CONECT   21   19   48                                                 
CONECT   22    7   27   27   23                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   27   25   25   52                                       
CONECT   27   22   22   26   53                                       
CONECT   28    5    6   54                                            
CONECT   29    5    5                                                 
CONECT   30    4    4    1                                            
CONECT   31    3    3    2                                            
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
