COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.565   1.988   0.521  1.00  0.00           C  
HETATM    2  C   UNL     1       5.279   0.670   0.365  1.00  0.00           C  
HETATM    3  C   UNL     1       4.916  -0.422   1.171  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.450  -1.012  -0.540  1.00  0.00           N  
HETATM    5  C   UNL     1       7.922  -1.043  -1.545  1.00  0.00           C  
HETATM    6  C   UNL     1       6.260   0.542  -0.552  1.00  0.00           C  
HETATM    7  C   UNL     1       2.156   1.535   0.267  1.00  0.00           C  
HETATM    8  C   UNL     1       0.090   0.975   0.550  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.348   0.725   0.330  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.924   1.002  -0.913  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.265   0.767  -1.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.049   0.253  -0.084  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.475  -0.024   1.158  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.134   0.204   1.362  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.477   0.969  -0.563  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.243   2.454  -0.666  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.498  -2.031  -0.625  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.125  -1.240  -0.292  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.017  -3.520   0.118  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.507  -2.511  -0.064  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.628   0.367  -0.705  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.492   0.001  -0.305  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.513  -0.100   2.701  1.00  0.00           C  
HETATM   24  O   UNL     1       0.963   1.472  -0.354  1.00  0.00           O  
HETATM   25  N   UNL     1       0.755   0.757   1.659  1.00  0.00           N  
HETATM   26  N   UNL     1       1.986   1.090   1.490  1.00  0.00           N  
HETATM   27  N   UNL     1       3.341   1.979  -0.284  1.00  0.00           N  
HETATM   28  C   UNL     1       3.375   2.441  -1.673  1.00  0.00           C  
HETATM   29  N   UNL     1       6.913  -0.646  -0.711  1.00  0.00           N  
HETATM   30  C   UNL     1       8.181  -2.341  -1.269  1.00  0.00           C  
HETATM   31  N   UNL     1       7.360  -2.741  -0.294  1.00  0.00           N  
HETATM   32  C   UNL     1       6.581  -1.729   0.061  1.00  0.00           C  
HETATM   33  C   UNL     1       5.562  -1.610   1.028  1.00  0.00           C  
HETATM   34  H   UNL     1       4.309   2.140   1.570  1.00  0.00           H  
HETATM   35  H   UNL     1       5.215   2.795   0.185  1.00  0.00           H  
HETATM   36  H   UNL     1       4.127  -0.318   1.902  1.00  0.00           H  
HETATM   37  H   UNL     1       8.419  -0.434  -2.286  1.00  0.00           H  
HETATM   38  H   UNL     1       6.532   1.388  -1.167  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.317   1.400  -1.713  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.710   0.982  -2.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.083  -0.422   1.957  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.362   2.910   0.317  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.233   2.638  -1.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.965   2.888  -1.357  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.582  -2.382  -1.654  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.244  -2.869   0.024  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.449  -1.602  -0.308  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.578   0.780   3.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.045  -0.929   3.168  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.466  -0.372   2.563  1.00  0.00           H  
HETATM   51  H   UNL     1       3.597   1.600  -2.331  1.00  0.00           H  
HETATM   52  H   UNL     1       2.407   2.865  -1.939  1.00  0.00           H  
HETATM   53  H   UNL     1       4.148   3.202  -1.784  1.00  0.00           H  
HETATM   54  H   UNL     1       8.926  -2.952  -1.755  1.00  0.00           H  
HETATM   55  H   UNL     1       5.292  -2.456   1.642  1.00  0.00           H  
CONECT    1    2   27   34   35                                       
CONECT    2    6    6    3    1                                       
CONECT    3   33   33    2   36                                       
CONECT    4   18   21   17                                            
CONECT    5   30   30   29   37                                       
CONECT    6   29    2    2   38                                       
CONECT    7   27   24   26   26                                       
CONECT    8   24   25   25    9                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   39                                       
CONECT   11   10   12   12   40                                       
CONECT   12   11   11   13   22                                       
CONECT   13   14   14   12   41                                       
CONECT   14    9   23   13   13                                       
CONECT   15   22   16   21   21                                       
CONECT   16   15   42   43   44                                       
CONECT   17    4   45   46   47                                       
CONECT   18   22   22   20    4                                       
CONECT   19   20   20   20                                            
CONECT   20   19   19   19   18                                       
CONECT   21   15   15    4                                            
CONECT   22   12   18   18   15                                       
CONECT   23   14   48   49   50                                       
CONECT   24    7    8                                                 
CONECT   25   26    8    8                                            
CONECT   26    7    7   25                                            
CONECT   27   28    1    7                                            
CONECT   28   27   51   52   53                                       
CONECT   29    5   32    6                                            
CONECT   30    5    5   31   54                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   29   33                                       
CONECT   33   32    3    3   55                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
