COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.458   3.173   1.121  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.514   0.272   2.166  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.875   1.917   1.105  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.692  -0.655  -1.597  1.00  0.00           N  
HETATM    5  O   UNL     1      -2.068   1.090   0.043  1.00  0.00           O  
HETATM    6  N   UNL     1      -3.619  -2.731  -0.514  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.089   1.504   2.177  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.895   2.351   3.257  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.480   3.604   3.266  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.260   4.014   2.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.885   1.581  -1.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.987   0.518  -2.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.996  -1.644  -1.006  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.959  -2.845  -0.606  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.704  -1.815  -1.230  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.054  -0.734  -1.710  1.00  0.00           C  
HETATM   17  C   UNL     1       0.691   0.136   1.553  1.00  0.00           C  
HETATM   18  C   UNL     1       1.318  -1.078   1.560  1.00  0.00           C  
HETATM   19  C   UNL     1       2.564  -1.220   0.926  1.00  0.00           C  
HETATM   20  C   UNL     1       3.152  -0.098   0.286  1.00  0.00           C  
HETATM   21  C   UNL     1       2.477   1.134   0.298  1.00  0.00           C  
HETATM   22  C   UNL     1       1.270   1.238   0.916  1.00  0.00           C  
HETATM   23  C   UNL     1       3.236  -2.452   0.916  1.00  0.00           C  
HETATM   24  C   UNL     1       4.463  -2.554   0.281  1.00  0.00           C  
HETATM   25  C   UNL     1       5.035  -1.434  -0.350  1.00  0.00           C  
HETATM   26  C   UNL     1       4.399  -0.235  -0.350  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.787  -1.554  -0.916  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.525  -3.826  -0.158  1.00  0.00           O  
HETATM   29  C   UNL     1       5.154  -3.808   0.267  1.00  0.00           C  
HETATM   30  N   UNL     1       5.702  -4.803   0.256  1.00  0.00           N  
HETATM   31  C   UNL     1       0.678  -2.257   2.246  1.00  0.00           C  
HETATM   32  C   UNL     1       3.087   2.336  -0.376  1.00  0.00           C  
HETATM   33  C   UNL     1       2.734   2.323  -1.841  1.00  0.00           C  
HETATM   34  O   UNL     1       3.172   3.304  -2.646  1.00  0.00           O  
HETATM   35  C   UNL     1       2.793   3.226  -4.046  1.00  0.00           C  
HETATM   36  O   UNL     1       2.057   1.429  -2.291  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.065   3.498   0.289  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.102  -3.432  -0.088  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.286   2.033   4.090  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.328   4.263   4.108  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.716   4.993   2.213  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.881   1.806  -0.641  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.440   2.486  -1.433  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.985   0.228  -2.437  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.535   0.924  -2.967  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.778  -1.889  -1.313  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.606   0.066  -2.181  1.00  0.00           H  
HETATM   48  H   UNL     1       0.753   2.186   0.919  1.00  0.00           H  
HETATM   49  H   UNL     1       2.800  -3.313   1.400  1.00  0.00           H  
HETATM   50  H   UNL     1       5.992  -1.530  -0.841  1.00  0.00           H  
HETATM   51  H   UNL     1       4.852   0.616  -0.839  1.00  0.00           H  
HETATM   52  H   UNL     1       0.049  -2.793   1.535  1.00  0.00           H  
HETATM   53  H   UNL     1       1.454  -2.925   2.619  1.00  0.00           H  
HETATM   54  H   UNL     1       0.069  -1.907   3.079  1.00  0.00           H  
HETATM   55  H   UNL     1       2.699   3.246   0.083  1.00  0.00           H  
HETATM   56  H   UNL     1       4.171   2.306  -0.263  1.00  0.00           H  
HETATM   57  H   UNL     1       3.178   2.301  -4.476  1.00  0.00           H  
HETATM   58  H   UNL     1       1.707   3.241  -4.130  1.00  0.00           H  
HETATM   59  H   UNL     1       3.211   4.078  -4.583  1.00  0.00           H  
CONECT    1    3    3   10   37                                       
CONECT    2    7   17                                                 
CONECT    3    5    1    1    7                                       
CONECT    4   12   13   16                                            
CONECT    5   11    3                                                 
CONECT    6   13   14   38                                            
CONECT    7    3    2    8    8                                       
CONECT    8    7    7    9   39                                       
CONECT    9   10   10    8   40                                       
CONECT   10    1    9    9   41                                       
CONECT   11   12    5   42   43                                       
CONECT   12   11    4   44   45                                       
CONECT   13   27   27    4    6                                       
CONECT   14    6   15   28   28                                       
CONECT   15   16   16   14   46                                       
CONECT   16    4   15   15   47                                       
CONECT   17    2   22   22   18                                       
CONECT   18   17   31   19   19                                       
CONECT   19   18   18   20   23                                       
CONECT   20   21   21   19   26                                       
CONECT   21   22   32   20   20                                       
CONECT   22   17   17   21   48                                       
CONECT   23   19   24   24   49                                       
CONECT   24   23   23   25   29                                       
CONECT   25   26   26   24   50                                       
CONECT   26   20   25   25   51                                       
CONECT   27   13   13                                                 
CONECT   28   14   14                                                 
CONECT   29   24   30   30   30                                       
CONECT   30   29   29   29                                            
CONECT   31   18   52   53   54                                       
CONECT   32   21   33   55   56                                       
CONECT   33   32   36   36   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   57   58   59                                       
CONECT   36   33   33                                                 
CONECT   37    1                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
