COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.278  -1.584   0.259  1.00  0.00           O  
HETATM    2  C   UNL     1       5.400  -1.854  -0.527  1.00  0.00           C  
HETATM    3  O   UNL     1       5.522  -2.925  -1.327  1.00  0.00           O  
HETATM    4  C   UNL     1       6.734  -3.713  -1.194  1.00  0.00           C  
HETATM    5  C   UNL     1       6.693  -4.883  -2.180  1.00  0.00           C  
HETATM    6  C   UNL     1       4.167  -0.992  -0.604  1.00  0.00           C  
HETATM    7  C   UNL     1       4.278   0.148   0.410  1.00  0.00           C  
HETATM    8  C   UNL     1       3.025   1.024   0.332  1.00  0.00           C  
HETATM    9  C   UNL     1       3.189   2.233   1.256  1.00  0.00           C  
HETATM   10  C   UNL     1       4.316   3.125   0.732  1.00  0.00           C  
HETATM   11  C   UNL     1       3.941   3.720  -0.608  1.00  0.00           C  
HETATM   12  O   UNL     1       3.976   3.127  -1.665  1.00  0.00           O  
HETATM   13  N   UNL     1       3.562   5.001  -0.455  1.00  0.00           N  
HETATM   14  C   UNL     1       3.623   5.411   0.953  1.00  0.00           C  
HETATM   15  C   UNL     1       4.506   4.353   1.652  1.00  0.00           C  
HETATM   16  N   UNL     1       1.858   0.244   0.751  1.00  0.00           N  
HETATM   17  C   UNL     1       0.637   0.546   0.266  1.00  0.00           C  
HETATM   18  O   UNL     1       0.490   1.518  -0.444  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.545  -0.325   0.606  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.290  -1.749   0.107  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.415  -2.646   0.554  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.528  -2.812  -0.249  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.560  -3.635   0.161  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.479  -4.294   1.374  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.366  -4.129   2.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.332  -3.309   1.765  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.747   0.210  -0.038  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.963  -0.051   0.482  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.062  -0.730   1.484  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.068   0.441  -0.110  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.344   0.119   0.505  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.457   0.751  -0.290  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.045   0.055  -1.330  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.067   0.635  -2.059  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.501   1.910  -1.747  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.914   2.605  -0.707  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.895   2.024   0.025  1.00  0.00           C  
HETATM   38  H   UNL     1       4.076  -0.577  -1.608  1.00  0.00           H  
HETATM   39  H   UNL     1       3.287  -1.595  -0.378  1.00  0.00           H  
HETATM   40  H   UNL     1       7.600  -3.087  -1.409  1.00  0.00           H  
HETATM   41  H   UNL     1       6.807  -4.098  -0.177  1.00  0.00           H  
HETATM   42  H   UNL     1       5.827  -5.509  -1.964  1.00  0.00           H  
HETATM   43  H   UNL     1       6.619  -4.498  -3.197  1.00  0.00           H  
HETATM   44  H   UNL     1       7.603  -5.474  -2.080  1.00  0.00           H  
HETATM   45  H   UNL     1       4.369  -0.266   1.414  1.00  0.00           H  
HETATM   46  H   UNL     1       5.157   0.751   0.185  1.00  0.00           H  
HETATM   47  H   UNL     1       2.885   1.366  -0.693  1.00  0.00           H  
HETATM   48  H   UNL     1       2.259   2.799   1.281  1.00  0.00           H  
HETATM   49  H   UNL     1       3.434   1.891   2.261  1.00  0.00           H  
HETATM   50  H   UNL     1       1.963  -0.489   1.378  1.00  0.00           H  
HETATM   51  H   UNL     1       5.244   2.559   0.651  1.00  0.00           H  
HETATM   52  H   UNL     1       4.143   4.146   2.659  1.00  0.00           H  
HETATM   53  H   UNL     1       5.549   4.668   1.672  1.00  0.00           H  
HETATM   54  H   UNL     1       3.284   5.580  -1.182  1.00  0.00           H  
HETATM   55  H   UNL     1       4.077   6.398   1.039  1.00  0.00           H  
HETATM   56  H   UNL     1       2.624   5.415   1.388  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.687  -0.338   1.687  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.237  -1.748  -0.981  1.00  0.00           H  
HETATM   59  H   UNL     1       0.651  -2.114   0.517  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.668   0.753  -0.838  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.592  -2.297  -1.196  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.460  -3.183   2.390  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.430  -3.764  -0.466  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.286  -4.936   1.695  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.302  -4.643   3.124  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.477  -0.962   0.520  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.363   0.503   1.525  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.706  -0.941  -1.573  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.439   2.566   0.840  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.526   0.092  -2.872  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.299   2.363  -2.317  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.253   3.601  -0.464  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   40   41                                       
CONECT    5    4   42   43   44                                       
CONECT    6    2    7   38   39                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   16   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   11   15   51                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   54                                            
CONECT   14   13   15   55   56                                       
CONECT   15   10   14   52   53                                       
CONECT   16    8   17   50                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   27   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   26   26                                       
CONECT   22   21   23   23   61                                       
CONECT   23   22   22   24   63                                       
CONECT   24   23   25   25   64                                       
CONECT   25   24   24   26   65                                       
CONECT   26   21   21   25   62                                       
CONECT   27   19   28   60                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32   66   67                                       
CONECT   32   31   33   37   37                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   35   70                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35   37   72                                       
CONECT   37   32   32   36   69                                       
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   16                                                      
CONECT   51   10                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   27                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   37                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
