COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.059  -0.960  -1.183  1.00  0.00           C  
HETATM    2  C   UNL     1       6.053  -0.451  -0.148  1.00  0.00           C  
HETATM    3  C   UNL     1       4.631  -0.704  -0.651  1.00  0.00           C  
HETATM    4  C   UNL     1       3.626  -0.195   0.384  1.00  0.00           C  
HETATM    5  O   UNL     1       2.297  -0.431  -0.086  1.00  0.00           O  
HETATM    6  C   UNL     1       1.276   0.010   0.811  1.00  0.00           C  
HETATM    7  C   UNL     1       0.903  -1.123   1.782  1.00  0.00           C  
HETATM    8  C   UNL     1       0.211  -2.257   1.030  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.113  -1.791   0.415  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.805  -0.733  -0.647  1.00  0.00           C  
HETATM   11  C   UNL     1       0.019   0.346   0.041  1.00  0.00           C  
HETATM   12  CA  UNL     1      -0.561   1.514  -0.150  1.00  0.00           C  
HETATM   13  C   UNL     1       0.015   2.791   0.311  1.00  0.00           C  
HETATM   14  O   UNL     1       1.077   2.801   0.901  1.00  0.00           O  
HETATM   15  OXT UNL     1      -0.637   3.947   0.078  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.773   1.421  -0.834  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.066   0.004  -1.109  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.282  -0.458  -0.305  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.491   0.409  -0.664  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.674   0.030   0.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.583  -1.898  -0.631  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.683  -2.711   0.257  1.00  0.00           O  
HETATM   23  H   UNL     1       8.072  -0.780  -0.824  1.00  0.00           H  
HETATM   24  H   UNL     1       6.912  -2.029  -1.337  1.00  0.00           H  
HETATM   25  H   UNL     1       6.908  -0.433  -2.125  1.00  0.00           H  
HETATM   26  H   UNL     1       6.204  -0.978   0.795  1.00  0.00           H  
HETATM   27  H   UNL     1       6.200   0.618   0.006  1.00  0.00           H  
HETATM   28  H   UNL     1       4.480  -0.177  -1.594  1.00  0.00           H  
HETATM   29  H   UNL     1       4.484  -1.773  -0.805  1.00  0.00           H  
HETATM   30  H   UNL     1       3.776  -0.722   1.326  1.00  0.00           H  
HETATM   31  H   UNL     1       3.772   0.874   0.538  1.00  0.00           H  
HETATM   32  H   UNL     1       1.619   0.882   1.368  1.00  0.00           H  
HETATM   33  H   UNL     1       1.807  -1.504   2.257  1.00  0.00           H  
HETATM   34  H   UNL     1       0.231  -0.735   2.548  1.00  0.00           H  
HETATM   35  H   UNL     1       0.868  -2.611   0.235  1.00  0.00           H  
HETATM   36  H   UNL     1       0.015  -3.077   1.721  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.622  -2.637  -0.046  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.746  -1.359   1.191  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.275  -1.171  -1.492  1.00  0.00           H  
HETATM   40  HXT UNL     1      -0.221   4.759   0.400  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.335   2.171  -1.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.230  -0.152  -2.175  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.071  -0.363   0.761  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.243   1.459  -0.512  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.757   0.246  -1.708  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.408   0.192   1.273  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.535   0.647  -0.027  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.922  -1.021   0.076  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.708  -2.204  -1.659  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3    5   30   31                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   11   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   17   11   39                                       
CONECT   11    6   10   12   12                                       
CONECT   12   11   11   16   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   40                                                 
CONECT   16   12   17   41                                            
CONECT   17   10   16   18   42                                       
CONECT   18   17   21   19   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   46   47   48                                       
CONECT   21   18   22   22   49                                       
CONECT   22   21   21                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
