COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.116   0.393   4.447  1.00  0.00           O  
HETATM    2  C   UNL     1       0.917  -1.124   5.824  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.111   0.695   5.345  1.00  0.00           O  
HETATM    4  C   UNL     1       1.764  -0.989   4.763  1.00  0.00           C  
HETATM    5  C   UNL     1       1.327  -0.391   3.582  1.00  0.00           C  
HETATM    6  C   UNL     1       0.030   0.079   3.470  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.845  -0.054   4.537  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.594  -0.319   6.692  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.330  -0.790   6.848  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.399  -0.659   5.726  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.975   0.276   5.472  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.898  -1.432   8.142  1.00  0.00           C  
HETATM   13  O   UNL     1       2.182  -0.264   2.535  1.00  0.00           O  
HETATM   14  C   UNL     1       1.422   0.252   1.441  1.00  0.00           C  
HETATM   15  C   UNL     1       2.363   0.594   0.284  1.00  0.00           C  
HETATM   16  C   UNL     1       1.543   1.178  -0.870  1.00  0.00           C  
HETATM   17  C   UNL     1       0.415   0.199  -1.214  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.379  -0.114   0.054  1.00  0.00           C  
HETATM   19  O   UNL     1       0.474  -0.725   1.020  1.00  0.00           O  
HETATM   20  N   UNL     1       3.353   1.579   0.729  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.527  -1.067  -0.284  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.344  -1.260   0.872  1.00  0.00           O  
HETATM   23  C   UNL     1       4.525   1.168   1.252  1.00  0.00           C  
HETATM   24  O   UNL     1       4.761  -0.016   1.353  1.00  0.00           O  
HETATM   25  C   UNL     1       5.542   2.181   1.710  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.450   0.789  -2.186  1.00  0.00           O  
HETATM   27  O   UNL     1       2.381   1.364  -2.013  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.507  -0.114  -3.292  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.563   0.366  -4.289  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.639  -0.625  -5.456  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.232  -0.810  -6.034  1.00  0.00           C  
HETATM   32  C   UNL     1       0.722  -1.204  -4.905  1.00  0.00           C  
HETATM   33  O   UNL     1       0.768  -0.167  -3.927  1.00  0.00           O  
HETATM   34  N   UNL     1      -2.867   0.442  -3.625  1.00  0.00           N  
HETATM   35  O   UNL     1      -0.254  -1.840  -7.025  1.00  0.00           O  
HETATM   36  C   UNL     1       2.124  -1.423  -5.477  1.00  0.00           C  
HETATM   37  O   UNL     1       3.017  -1.791  -4.424  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.250   1.584  -3.021  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.515   2.549  -3.027  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.591   1.662  -2.337  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.512  -0.113  -6.465  1.00  0.00           O  
HETATM   42  H   UNL     1       1.261  -1.589   6.736  1.00  0.00           H  
HETATM   43  H   UNL     1       2.780  -1.348   4.838  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.299   0.546   2.553  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.306  -0.400   7.500  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.731  -1.432   8.844  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.583  -2.458   7.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.066  -0.869   8.566  1.00  0.00           H  
HETATM   49  H   UNL     1       0.896   1.153   1.759  1.00  0.00           H  
HETATM   50  H   UNL     1       2.873  -0.308  -0.050  1.00  0.00           H  
HETATM   51  H   UNL     1       1.117   2.136  -0.570  1.00  0.00           H  
HETATM   52  H   UNL     1       0.840  -0.720  -1.616  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.785   0.810   0.464  1.00  0.00           H  
HETATM   54  H   UNL     1       3.164   2.527   0.648  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.128  -0.640  -1.086  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.120  -2.026  -0.606  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.053  -1.865   0.615  1.00  0.00           H  
HETATM   58  H   UNL     1       6.419   1.664   2.099  1.00  0.00           H  
HETATM   59  H   UNL     1       5.835   2.808   0.868  1.00  0.00           H  
HETATM   60  H   UNL     1       5.109   2.803   2.493  1.00  0.00           H  
HETATM   61  H   UNL     1       3.075   1.985  -1.752  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.776  -1.107  -2.934  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.288   1.351  -4.666  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.017  -1.583  -5.098  1.00  0.00           H  
HETATM   65  H   UNL     1       0.102   0.122  -6.486  1.00  0.00           H  
HETATM   66  H   UNL     1       0.373  -2.126  -4.439  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.454  -0.329  -3.620  1.00  0.00           H  
HETATM   68  H   UNL     1       0.648  -1.924  -7.361  1.00  0.00           H  
HETATM   69  H   UNL     1       2.092  -2.219  -6.221  1.00  0.00           H  
HETATM   70  H   UNL     1       2.474  -0.503  -5.945  1.00  0.00           H  
HETATM   71  H   UNL     1       3.887  -1.919  -4.826  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.723   2.656  -1.910  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.381   1.471  -3.064  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.638   0.916  -1.544  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.530  -0.766  -7.177  1.00  0.00           H  
CONECT    1    7   11                                                 
CONECT    2    4    4   10   42                                       
CONECT    3   11   11                                                 
CONECT    4    2    2    5   43                                       
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    7   44                                       
CONECT    7    1    6   10   10                                       
CONECT    8    9    9   11   45                                       
CONECT    9    8    8   10   12                                       
CONECT   10    2    7    7    9                                       
CONECT   11    1    3    3    8                                       
CONECT   12    9   46   47   48                                       
CONECT   13    5   14                                                 
CONECT   14   13   15   19   49                                       
CONECT   15   14   16   20   50                                       
CONECT   16   15   17   27   51                                       
CONECT   17   16   18   26   52                                       
CONECT   18   17   19   21   53                                       
CONECT   19   14   18                                                 
CONECT   20   15   23   54                                            
CONECT   21   18   22   55   56                                       
CONECT   22   21   57                                                 
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   58   59   60                                       
CONECT   26   17   28                                                 
CONECT   27   16   61                                                 
CONECT   28   26   29   33   62                                       
CONECT   29   28   30   34   63                                       
CONECT   30   29   31   41   64                                       
CONECT   31   30   32   35   65                                       
CONECT   32   31   33   36   66                                       
CONECT   33   28   32                                                 
CONECT   34   29   38   67                                            
CONECT   35   31   68                                                 
CONECT   36   32   37   69   70                                       
CONECT   37   36   71                                                 
CONECT   38   34   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   72   73   74                                       
CONECT   41   30   75                                                 
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
