COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.097  -0.701   2.524  1.00  0.00           C  
HETATM    2  C   UNL     1       0.030   1.529  -1.613  1.00  0.00           C  
HETATM    3  C   UNL     1       1.117  -0.231   2.061  1.00  0.00           C  
HETATM    4  C   UNL     1       0.022   0.142  -1.642  1.00  0.00           C  
HETATM    5  C   UNL     1       1.155   0.735   1.075  1.00  0.00           C  
HETATM    6  C   UNL     1       0.041  -0.523  -2.853  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.027   1.234   0.547  1.00  0.00           C  
HETATM    8  C   UNL     1       0.078   0.195  -4.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.245   0.760   1.013  1.00  0.00           C  
HETATM   10  C   UNL     1       0.092   1.581  -4.010  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.277  -0.210   1.996  1.00  0.00           C  
HETATM   12  C   UNL     1       0.068   2.247  -2.800  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.136  -1.755   3.600  1.00  0.00           C  
HETATM   14  CA  UNL     1      -0.164  -1.082   4.973  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.202  -2.136   6.049  1.00  0.00           C  
HETATM   16  I   UNL     1       2.997   1.447   0.375  1.00  0.00           I  
HETATM   17  I   UNL     1       0.020  -2.617  -2.897  1.00  0.00           I  
HETATM   18  I   UNL     1      -3.034   1.508   0.220  1.00  0.00           I  
HETATM   19  N   UNL     1       1.039  -0.256   5.138  1.00  0.00           N  
HETATM   20  O   UNL     1       0.102  -0.460  -5.230  1.00  0.00           O  
HETATM   21  O   UNL     1       0.007   2.184  -0.422  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.381  -2.594   6.499  1.00  0.00           O  
HETATM   23  OXT UNL     1       0.828  -2.569   6.507  1.00  0.00           O  
HETATM   24  H   UNL     1       2.037  -0.619   2.472  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.006  -0.416  -0.719  1.00  0.00           H  
HETATM   26  H   UNL     1       0.121   2.141  -4.933  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.225  -0.580   2.359  1.00  0.00           H  
HETATM   28  H   UNL     1       0.078   3.327  -2.777  1.00  0.00           H  
HETATM   29  H   UNL     1       0.749  -2.386   3.522  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.029  -2.368   3.477  1.00  0.00           H  
HETATM   31  HA  UNL     1      -1.050  -0.451   5.050  1.00  0.00           H  
HETATM   32  H1  UNL     1       1.830  -0.878   5.060  1.00  0.00           H  
HETATM   33  H2  UNL     1       1.078   0.362   4.343  1.00  0.00           H  
HETATM   34  H   UNL     1       1.033  -0.604  -5.451  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.406  -3.270   7.189  1.00  0.00           H  
CONECT    1    3    3   11   13                                       
CONECT    2    4    4   12   21                                       
CONECT    3    1    1    5   24                                       
CONECT    4    2    2    6   25                                       
CONECT    5    3    7    7   16                                       
CONECT    6    4    8    8   17                                       
CONECT    7    5    5    9   21                                       
CONECT    8    6    6   10   20                                       
CONECT    9    7   11   11   18                                       
CONECT   10    8   12   12   26                                       
CONECT   11    1    9    9   27                                       
CONECT   12    2   10   10   28                                       
CONECT   13    1   14   29   30                                       
CONECT   14   13   15   19   31                                       
CONECT   15   14   22   23   23                                       
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    9                                                      
CONECT   19   14   32   33                                            
CONECT   20    8   34                                                 
CONECT   21    2    7                                                 
CONECT   22   15   35                                                 
CONECT   23   15   15                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
