COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.501  -0.374   0.293  1.00  0.00           N  
HETATM    2  N   UNL     1       5.921  -0.184   1.199  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.185  -0.120  -0.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.743   1.189  -0.240  1.00  0.00           C  
HETATM    5  C   UNL     1       0.560   1.443  -0.633  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.045  -0.050   1.503  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.333  -0.449   1.507  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.460  -0.982  -0.468  1.00  0.00           C  
HETATM    9  C   UNL     1       6.093   0.713   0.049  1.00  0.00           C  
HETATM   10  C   UNL     1       3.605  -0.698   0.590  1.00  0.00           C  
HETATM   11  C   UNL     1       5.227   0.218  -1.115  1.00  0.00           C  
HETATM   12  C   UNL     1       6.861   0.155   2.276  1.00  0.00           C  
HETATM   13  C   UNL     1       4.535  -0.166   1.686  1.00  0.00           C  
HETATM   14  N   UNL     1       3.843   0.075  -0.639  1.00  0.00           N  
HETATM   15  C   UNL     1       2.819   0.636  -1.312  1.00  0.00           C  
HETATM   16  O   UNL     1       3.040   1.359  -2.264  1.00  0.00           O  
HETATM   17  C   UNL     1       1.430   0.374  -0.893  1.00  0.00           C  
HETATM   18  I   UNL     1      -2.049   2.780   0.150  1.00  0.00           I  
HETATM   19  O   UNL     1       0.993   2.722  -0.767  1.00  0.00           O  
HETATM   20  C   UNL     1       0.976  -0.941  -0.753  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.319  -1.182  -0.357  1.00  0.00           C  
HETATM   22  I   UNL     1      -0.998  -3.153  -0.148  1.00  0.00           I  
HETATM   23  C   UNL     1      -4.596  -1.040   0.255  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.532   0.441   2.317  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.034  -0.336   2.321  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.330  -1.351  -1.475  1.00  0.00           H  
HETATM   27  H   UNL     1       5.787   1.722   0.325  1.00  0.00           H  
HETATM   28  H   UNL     1       7.140   0.720  -0.254  1.00  0.00           H  
HETATM   29  H   UNL     1       3.819  -1.751   0.407  1.00  0.00           H  
HETATM   30  H   UNL     1       2.567  -0.584   0.902  1.00  0.00           H  
HETATM   31  H   UNL     1       5.261   0.940  -1.930  1.00  0.00           H  
HETATM   32  H   UNL     1       5.597  -0.747  -1.461  1.00  0.00           H  
HETATM   33  H   UNL     1       6.765  -0.570   3.084  1.00  0.00           H  
HETATM   34  H   UNL     1       7.879   0.135   1.888  1.00  0.00           H  
HETATM   35  H   UNL     1       6.636   1.152   2.655  1.00  0.00           H  
HETATM   36  H   UNL     1       4.452  -0.798   2.571  1.00  0.00           H  
HETATM   37  H   UNL     1       4.251   0.855   1.940  1.00  0.00           H  
HETATM   38  H   UNL     1       1.374   3.095   0.040  1.00  0.00           H  
HETATM   39  H   UNL     1       1.644  -1.767  -0.948  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.537  -1.464  -0.066  1.00  0.00           H  
CONECT    1    3    8    6                                            
CONECT    2    9   13   12                                            
CONECT    3   21    1    4    4                                       
CONECT    4    3    3    5   18                                       
CONECT    5   17   17    4   19                                       
CONECT    6    1    7    7   24                                       
CONECT    7    6    6   23   25                                       
CONECT    8    1   23   23   26                                       
CONECT    9   11    2   27   28                                       
CONECT   10   14   13   29   30                                       
CONECT   11   14    9   31   32                                       
CONECT   12    2   33   34   35                                       
CONECT   13   10    2   36   37                                       
CONECT   14   11   15   10                                            
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   20   15    5    5                                       
CONECT   18    4                                                      
CONECT   19    5   38                                                 
CONECT   20   21   21   17   39                                       
CONECT   21   22   20   20    3                                       
CONECT   22   21                                                      
CONECT   23    8    8    7   40                                       
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
