COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.914   3.827  -1.023  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.918   1.550  -0.274  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.186   0.090   0.199  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.750  -0.272  -0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       0.545   0.335   0.471  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.277   2.474  -1.304  1.00  0.00           O  
HETATM    7  C   UNL     1       2.500  -0.375  -0.294  1.00  0.00           C  
HETATM    8  C   UNL     1       3.579  -0.964  -0.927  1.00  0.00           C  
HETATM    9  C   UNL     1       4.875  -0.611  -0.556  1.00  0.00           C  
HETATM   10  C   UNL     1       7.175  -0.842  -0.814  1.00  0.00           C  
HETATM   11  C   UNL     1       6.457   0.693   0.830  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.487   1.447  -0.189  1.00  0.00           O  
HETATM   13  O   UNL     1       6.695   1.510   1.701  1.00  0.00           O  
HETATM   14  C   UNL     1       5.076   0.348   0.467  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.814   0.495   0.640  1.00  0.00           N  
HETATM   16  C   UNL     1       3.988   0.938   1.102  1.00  0.00           C  
HETATM   17  C   UNL     1       2.698   0.580   0.725  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.196  -0.759  -0.609  1.00  0.00           C  
HETATM   19  N   UNL     1       5.956  -1.169  -1.157  1.00  0.00           N  
HETATM   20  N   UNL     1       8.222  -1.447  -1.464  1.00  0.00           N  
HETATM   21  N   UNL     1       7.455   0.072   0.161  1.00  0.00           N  
HETATM   22  N   UNL     1       1.129  -0.509  -0.432  1.00  0.00           N  
HETATM   23  N   UNL     1       1.465   0.973   1.149  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.460   0.150  -0.615  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.216  -0.340   0.517  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.954  -1.758   0.515  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.833  -2.454  -0.525  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.219  -2.344   1.904  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.567  -1.907   0.170  1.00  0.00           O  
HETATM   30  H   UNL     1      -5.221   4.465  -1.852  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.411   4.154  -0.109  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.834   3.894  -0.893  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.323   1.882   0.682  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.339  -0.044   1.270  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.589  -1.338  -0.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.585  -0.036  -1.237  1.00  0.00           H  
HETATM   37  H   UNL     1       3.418  -1.695  -1.706  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.151   1.117   1.304  1.00  0.00           H  
HETATM   39  H   UNL     1       4.144   1.669   1.882  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.841  -1.008  -1.609  1.00  0.00           H  
HETATM   41  H   UNL     1       9.135  -1.221  -1.228  1.00  0.00           H  
HETATM   42  H   UNL     1       8.049  -2.100  -2.160  1.00  0.00           H  
HETATM   43  H   UNL     1       8.379   0.278   0.376  1.00  0.00           H  
HETATM   44  H   UNL     1       0.668  -1.093  -1.054  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.010   0.121  -1.556  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.635  -2.032  -1.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.609  -3.521  -0.536  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.883  -2.306  -0.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.266  -2.196   2.167  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.993  -3.410   1.897  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.586  -1.843   2.636  1.00  0.00           H  
CONECT    1    6   30   31   32                                       
CONECT    2   24   12    6   33                                       
CONECT    3   12   18    4   34                                       
CONECT    4    3   15   35   36                                       
CONECT    5   15   22   23   23                                       
CONECT    6    2    1                                                 
CONECT    7   22   17   17    8                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   14   19                                       
CONECT   10   19   19   21   20                                       
CONECT   11   14   13   13   21                                       
CONECT   12    2    3                                                 
CONECT   13   11   11                                                 
CONECT   14   16   16    9   11                                       
CONECT   15    4    5   38                                            
CONECT   16   17   14   14   39                                       
CONECT   17   23    7    7   16                                       
CONECT   18   29   24    3   40                                       
CONECT   19    9   10   10                                            
CONECT   20   10   41   42                                            
CONECT   21   11   10   43                                            
CONECT   22    5    7   44                                            
CONECT   23    5    5   17                                            
CONECT   24   25    2   18   45                                       
CONECT   25   26   24                                                 
CONECT   26   28   25   27   29                                       
CONECT   27   26   46   47   48                                       
CONECT   28   26   49   50   51                                       
CONECT   29   26   18                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
