COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.769  -2.787   0.827  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.060  -1.964  -0.047  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.826  -0.715   0.827  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.751  -1.687  -0.167  1.00  0.00           C  
HETATM    5  C   UNL     1       0.475  -1.962  -0.751  1.00  0.00           C  
HETATM    6  C   UNL     1       0.332  -0.053   1.191  1.00  0.00           C  
HETATM    7  C   UNL     1       1.526  -0.378   0.557  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.979  -2.356   1.329  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.831  -0.364   0.165  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.605  -0.730  -0.382  1.00  0.00           C  
HETATM   11  O   UNL     1       6.118  -0.320  -1.027  1.00  0.00           O  
HETATM   12  C   UNL     1       6.091   0.527  -0.161  1.00  0.00           C  
HETATM   13  C   UNL     1       7.332   1.322   0.155  1.00  0.00           C  
HETATM   14  C   UNL     1       8.475   0.866  -0.755  1.00  0.00           C  
HETATM   15  C   UNL     1       7.058   2.809  -0.078  1.00  0.00           C  
HETATM   16  C   UNL     1       7.723   1.098   1.617  1.00  0.00           C  
HETATM   17  N   UNL     1       4.951   0.759   0.521  1.00  0.00           N  
HETATM   18  C   UNL     1       3.842   0.048   0.239  1.00  0.00           C  
HETATM   19  O   UNL     1       3.868  -0.802  -0.630  1.00  0.00           O  
HETATM   20  N   UNL     1       2.702   0.280   0.920  1.00  0.00           N  
HETATM   21  C   UNL     1       0.567  -3.013  -1.828  1.00  0.00           C  
HETATM   22  N   UNL     1       1.562  -1.315  -0.377  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.866  -2.359  -0.558  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.470  -1.177   0.998  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.424   0.952  -0.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.872   1.915  -1.044  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.686   2.936  -1.088  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.781   2.668  -0.258  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.921   3.559  -0.027  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.608   1.449   0.288  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.377  -3.755   1.105  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.769  -0.479   1.300  1.00  0.00           H  
HETATM   33  H   UNL     1       0.310   0.707   1.958  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.534  -2.992   2.003  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.085  -0.066  -1.055  1.00  0.00           H  
HETATM   36  H   UNL     1       8.196   1.026  -1.796  1.00  0.00           H  
HETATM   37  H   UNL     1       9.372   1.441  -0.527  1.00  0.00           H  
HETATM   38  H   UNL     1       8.670  -0.193  -0.589  1.00  0.00           H  
HETATM   39  H   UNL     1       6.779   2.969  -1.119  1.00  0.00           H  
HETATM   40  H   UNL     1       6.244   3.135   0.570  1.00  0.00           H  
HETATM   41  H   UNL     1       7.956   3.384   0.150  1.00  0.00           H  
HETATM   42  H   UNL     1       8.621   1.673   1.845  1.00  0.00           H  
HETATM   43  H   UNL     1       6.910   1.423   2.265  1.00  0.00           H  
HETATM   44  H   UNL     1       7.919   0.039   1.782  1.00  0.00           H  
HETATM   45  H   UNL     1       4.930   1.437   1.214  1.00  0.00           H  
HETATM   46  H   UNL     1       2.699   0.903   1.663  1.00  0.00           H  
HETATM   47  H   UNL     1       0.410  -2.549  -2.802  1.00  0.00           H  
HETATM   48  H   UNL     1       1.554  -3.475  -1.801  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.195  -3.773  -1.660  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.938   1.825  -1.580  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.699   3.351  -0.761  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.314   3.393   0.976  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.598   4.595  -0.124  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.283   0.955   0.971  1.00  0.00           H  
CONECT    1    2    8    8   31                                       
CONECT    2   23   10   10    1                                       
CONECT    3    6    6    4   32                                       
CONECT    4    5    5    3   23                                       
CONECT    5   22   21    4    4                                       
CONECT    6    7    3    3   33                                       
CONECT    7   20   22   22    6                                       
CONECT    8    1    1   24   34                                       
CONECT    9   10   25   24   24                                       
CONECT   10    2    2    9   35                                       
CONECT   11   12   12                                                 
CONECT   12   13   17   11   11                                       
CONECT   13   15   16   14   12                                       
CONECT   14   13   36   37   38                                       
CONECT   15   13   39   40   41                                       
CONECT   16   13   42   43   44                                       
CONECT   17   12   18   45                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18    7   46                                            
CONECT   21    5   47   48   49                                       
CONECT   22    7    7    5                                            
CONECT   23    4    2                                                 
CONECT   24    9    9    8                                            
CONECT   25   26    9   30   30                                       
CONECT   26   27   27   25   50                                       
CONECT   27   26   26   28                                            
CONECT   28   27   30   29                                            
CONECT   29   28   51   52   53                                       
CONECT   30   25   25   28   54                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
