COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.672   0.984  -0.204  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.390   1.369  -0.049  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.128   2.537   0.160  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.305   0.373  -0.133  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.028   0.758   0.021  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.942  -0.239  -0.063  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.204  -1.407  -0.272  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.659   0.147   0.092  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.629  -0.799   0.012  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.347  -0.413   0.167  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.085   0.755   0.376  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.259  -1.411   0.082  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.551  -2.770  -0.040  1.00  0.00           C  
HETATM   14  N   UNL     1       0.417  -3.659  -0.115  1.00  0.00           N  
HETATM   15  C   UNL     1       1.689  -3.309  -0.079  1.00  0.00           C  
HETATM   16  C   UNL     1       2.061  -1.982   0.041  1.00  0.00           C  
HETATM   17  C   UNL     1       1.081  -1.008   0.117  1.00  0.00           C  
HETATM   18  C   UNL     1       1.447   0.448   0.242  1.00  0.00           C  
HETATM   19  C   UNL     1       2.943   0.600   0.145  1.00  0.00           C  
HETATM   20  C   UNL     1       3.531   0.887  -1.074  1.00  0.00           C  
HETATM   21  C   UNL     1       4.903   1.026  -1.163  1.00  0.00           C  
HETATM   22  C   UNL     1       5.688   0.880  -0.034  1.00  0.00           C  
HETATM   23  C   UNL     1       7.184   1.031  -0.131  1.00  0.00           C  
HETATM   24  C   UNL     1       7.522   2.435  -0.637  1.00  0.00           C  
HETATM   25  C   UNL     1       7.808   0.823   1.250  1.00  0.00           C  
HETATM   26  C   UNL     1       7.740  -0.010  -1.105  1.00  0.00           C  
HETATM   27  C   UNL     1       5.100   0.595   1.184  1.00  0.00           C  
HETATM   28  C   UNL     1       3.727   0.460   1.274  1.00  0.00           C  
HETATM   29  H   UNL     1     -10.349   1.672  -0.140  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.538  -0.665  -0.319  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.795   1.796   0.207  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.450   1.079   0.259  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.838  -1.731  -0.155  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.581  -3.096  -0.072  1.00  0.00           H  
HETATM   35  H   UNL     1       2.452  -4.071  -0.144  1.00  0.00           H  
HETATM   36  H   UNL     1       3.105  -1.709   0.070  1.00  0.00           H  
HETATM   37  H   UNL     1       0.971   1.012  -0.561  1.00  0.00           H  
HETATM   38  H   UNL     1       1.105   0.828   1.205  1.00  0.00           H  
HETATM   39  H   UNL     1       2.918   1.001  -1.955  1.00  0.00           H  
HETATM   40  H   UNL     1       3.267   0.241   2.227  1.00  0.00           H  
HETATM   41  H   UNL     1       5.363   1.249  -2.114  1.00  0.00           H  
HETATM   42  H   UNL     1       5.712   0.482   2.066  1.00  0.00           H  
HETATM   43  H   UNL     1       7.127   3.177   0.056  1.00  0.00           H  
HETATM   44  H   UNL     1       8.605   2.545  -0.708  1.00  0.00           H  
HETATM   45  H   UNL     1       7.077   2.583  -1.621  1.00  0.00           H  
HETATM   46  H   UNL     1       7.567  -0.177   1.610  1.00  0.00           H  
HETATM   47  H   UNL     1       8.891   0.933   1.179  1.00  0.00           H  
HETATM   48  H   UNL     1       7.412   1.565   1.943  1.00  0.00           H  
HETATM   49  H   UNL     1       7.295   0.139  -2.089  1.00  0.00           H  
HETATM   50  H   UNL     1       8.822   0.100  -1.175  1.00  0.00           H  
HETATM   51  H   UNL     1       7.498  -1.010  -0.744  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   32                                            
CONECT    9    8   10   33                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   17   17                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   36                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   37   38                                       
CONECT   19   18   20   28   28                                       
CONECT   20   19   21   21   39                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   25   26                                       
CONECT   24   23   43   44   45                                       
CONECT   25   23   46   47   48                                       
CONECT   26   23   49   50   51                                       
CONECT   27   22   22   28   42                                       
CONECT   28   19   19   27   40                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   28                                                      
CONECT   41   21                                                      
CONECT   42   27                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
