COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.430   1.752   0.047  1.00  0.00           C  
HETATM    2  C   UNL     1       4.783   1.471  -0.028  1.00  0.00           C  
HETATM    3  C   UNL     1       2.429   1.751   0.042  1.00  0.00           C  
HETATM    4  C   UNL     1       1.210   2.627  -0.093  1.00  0.00           C  
HETATM    5  C   UNL     1       7.165   1.263   0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.211   2.627  -0.090  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.495  -1.991  -0.026  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.671  -0.666  -0.022  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.985  -0.135  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.080  -1.015   0.009  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.828  -2.359   0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.514  -2.817  -0.015  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.623   0.164  -0.034  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.783   1.471  -0.029  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.057   2.055  -0.011  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.166   1.262   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.255  -4.301  -0.021  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.661   2.292  -0.041  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.303   0.560   0.231  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.001   1.805   0.036  1.00  0.00           N  
HETATM   21  N   UNL     1       3.661   2.292  -0.043  1.00  0.00           N  
HETATM   22  O   UNL     1       2.302   0.559   0.227  1.00  0.00           O  
HETATM   23  N   UNL     1       4.622   0.164  -0.038  1.00  0.00           N  
HETATM   24  C   UNL     1       5.671  -0.666  -0.024  1.00  0.00           C  
HETATM   25  C   UNL     1       6.984  -0.135   0.004  1.00  0.00           C  
HETATM   26  C   UNL     1       6.056   2.056  -0.006  1.00  0.00           C  
HETATM   27  N   UNL     1       5.496  -1.991  -0.036  1.00  0.00           N  
HETATM   28  C   UNL     1       6.516  -2.816  -0.022  1.00  0.00           C  
HETATM   29  C   UNL     1       7.829  -2.358   0.005  1.00  0.00           C  
HETATM   30  C   UNL     1       8.080  -1.014   0.018  1.00  0.00           C  
HETATM   31  C   UNL     1       6.258  -4.301  -0.036  1.00  0.00           C  
HETATM   32  H   UNL     1       1.219   3.385   0.690  1.00  0.00           H  
HETATM   33  H   UNL     1       1.218   3.112  -1.069  1.00  0.00           H  
HETATM   34  H   UNL     1       8.155   1.694   0.032  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.220   3.113  -1.066  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.219   3.385   0.693  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.093  -0.640   0.024  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.646  -3.064   0.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.160   3.130  -0.007  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.156   1.693   0.015  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.179  -4.661   1.006  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.076  -4.812  -0.525  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.322  -4.505  -0.547  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.765   3.254  -0.114  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.001   1.054  -0.639  1.00  0.00           H  
HETATM   46  H   UNL     1       3.764   3.253  -0.116  1.00  0.00           H  
HETATM   47  H   UNL     1       6.159   3.131   0.002  1.00  0.00           H  
HETATM   48  H   UNL     1       8.648  -3.062   0.015  1.00  0.00           H  
HETATM   49  H   UNL     1       9.093  -0.638   0.040  1.00  0.00           H  
HETATM   50  H   UNL     1       6.214  -4.653  -1.066  1.00  0.00           H  
HETATM   51  H   UNL     1       7.063  -4.814   0.490  1.00  0.00           H  
HETATM   52  H   UNL     1       5.309  -4.509   0.460  1.00  0.00           H  
CONECT    1   18    6   19   19                                       
CONECT    2   23   23   26   21                                       
CONECT    3   21   22   22    4                                       
CONECT    4    3   20   32   33                                       
CONECT    5   25   26   26   34                                       
CONECT    6    1   20   35   36                                       
CONECT    7   12    8    8                                            
CONECT    8    7    7   13    9                                       
CONECT    9    8   10   10   16                                       
CONECT   10   11    9    9   37                                       
CONECT   11   12   12   10   38                                       
CONECT   12   17    7   11   11                                       
CONECT   13    8   14   14                                            
CONECT   14   13   13   18   15                                       
CONECT   15   14   16   16   39                                       
CONECT   16    9   15   15   40                                       
CONECT   17   12   41   42   43                                       
CONECT   18   14    1   44                                            
CONECT   19    1    1                                                 
CONECT   20    4    6   45                                            
CONECT   21    2    3   46                                            
CONECT   22    3    3                                                 
CONECT   23   24    2    2                                            
CONECT   24   27   27   25   23                                       
CONECT   25   30   30   24    5                                       
CONECT   26    5    5    2   47                                       
CONECT   27   28   24   24                                            
CONECT   28   31   29   29   27                                       
CONECT   29   28   28   30   48                                       
CONECT   30   29   25   25   49                                       
CONECT   31   28   50   51   52                                       
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
