COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.516  -1.947   1.205  1.00  0.00           C  
HETATM    2  C   UNL     1       7.102  -1.752   0.723  1.00  0.00           C  
HETATM    3  C   UNL     1       6.161  -1.176   1.558  1.00  0.00           C  
HETATM    4  C   UNL     1       4.864  -0.997   1.119  1.00  0.00           C  
HETATM    5  C   UNL     1       3.840  -0.369   2.029  1.00  0.00           C  
HETATM    6  C   UNL     1       4.504  -1.395  -0.162  1.00  0.00           C  
HETATM    7  N   UNL     1       3.191  -1.214  -0.609  1.00  0.00           N  
HETATM    8  C   UNL     1       2.573  -0.031  -0.425  1.00  0.00           C  
HETATM    9  O   UNL     1       3.177   0.899   0.074  1.00  0.00           O  
HETATM   10  N   UNL     1       1.286   0.122  -0.794  1.00  0.00           N  
HETATM   11  C   UNL     1       0.614   1.309  -0.504  1.00  0.00           C  
HETATM   12  C   UNL     1       1.272   2.501  -0.608  1.00  0.00           C  
HETATM   13  C   UNL     1       0.601   3.700  -0.318  1.00  0.00           C  
HETATM   14  C   UNL     1       1.258   4.939  -0.419  1.00  0.00           C  
HETATM   15  C   UNL     1       0.584   6.086  -0.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.753   6.054   0.262  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.423   4.874   0.372  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.760   3.667   0.083  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.423   2.436   0.186  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.742   1.267  -0.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.434  -0.032  -0.004  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.820  -1.065  -0.187  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.747  -0.073   0.295  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.435  -1.362   0.401  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.779  -2.201   1.499  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.907  -1.129   0.748  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.593  -0.398  -0.407  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.065  -0.164  -0.060  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.754  -1.510   0.172  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.067  -2.241   1.328  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.595  -2.475   0.981  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.339  -2.092  -0.914  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.235  -3.296  -0.930  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.368  -1.405  -2.067  1.00  0.00           O  
HETATM   35  C   UNL     1       5.451  -1.973  -0.998  1.00  0.00           C  
HETATM   36  C   UNL     1       5.065  -2.406  -2.388  1.00  0.00           C  
HETATM   37  C   UNL     1       6.748  -2.145  -0.555  1.00  0.00           C  
HETATM   38  H   UNL     1       9.106  -1.062   0.966  1.00  0.00           H  
HETATM   39  H   UNL     1       8.514  -2.102   2.284  1.00  0.00           H  
HETATM   40  H   UNL     1       8.951  -2.817   0.714  1.00  0.00           H  
HETATM   41  H   UNL     1       6.442  -0.867   2.554  1.00  0.00           H  
HETATM   42  H   UNL     1       3.939   0.716   1.993  1.00  0.00           H  
HETATM   43  H   UNL     1       2.840  -0.654   1.702  1.00  0.00           H  
HETATM   44  H   UNL     1       4.001  -0.714   3.050  1.00  0.00           H  
HETATM   45  H   UNL     1       2.725  -1.941  -1.053  1.00  0.00           H  
HETATM   46  H   UNL     1       0.827  -0.594  -1.260  1.00  0.00           H  
HETATM   47  H   UNL     1       2.307   2.522  -0.914  1.00  0.00           H  
HETATM   48  H   UNL     1       2.294   4.981  -0.723  1.00  0.00           H  
HETATM   49  H   UNL     1       1.092   7.036  -0.211  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.265   6.979   0.484  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.458   4.865   0.678  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.458   2.400   0.491  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.238   0.752   0.441  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.849  -1.673   2.450  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.290  -3.161   1.578  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.730  -2.368   1.252  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.975  -0.524   1.652  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.102   0.561  -0.573  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.525  -1.002  -1.312  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.134   0.440   0.844  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.554   0.357  -0.884  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.802  -1.344   0.420  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.685  -2.115  -0.732  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.136  -1.637   2.232  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.558  -3.200   1.494  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.527  -3.079   0.076  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.106  -2.996   1.804  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.303  -1.917  -2.885  1.00  0.00           H  
HETATM   69  H   UNL     1       5.299  -1.610  -3.095  1.00  0.00           H  
HETATM   70  H   UNL     1       5.621  -3.305  -2.656  1.00  0.00           H  
HETATM   71  H   UNL     1       3.996  -2.617  -2.420  1.00  0.00           H  
HETATM   72  H   UNL     1       7.486  -2.590  -1.206  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1   37   37    3                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   42   43   44                                       
CONECT    6    4   35   35    7                                       
CONECT    7    6    8   45                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   46                                            
CONECT   11   10   20   20   12                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12   18   14                                       
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   16   49                                       
CONECT   16   15   17   17   50                                       
CONECT   17   16   16   18   51                                       
CONECT   18   13   17   19   19                                       
CONECT   19   18   18   20   52                                       
CONECT   20   11   11   19   21                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   53                                            
CONECT   24   23   32   26   25                                       
CONECT   25   24   54   55   56                                       
CONECT   26   24   27   31   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   31   64   65                                       
CONECT   31   26   30   66   67                                       
CONECT   32   24   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   68                                                 
CONECT   35    6    6   37   36                                       
CONECT   36   35   69   70   71                                       
CONECT   37    2    2   35   72                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
