COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.913   2.233  -1.072  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.187  -0.684   0.734  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.719  -2.504  -0.419  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.564  -2.056   0.493  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.152  -1.692   1.862  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.073  -0.482   1.753  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.143  -2.829  -1.798  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.175  -4.002  -1.691  1.00  0.00           C  
HETATM    9  C   UNL     1       0.948  -3.760  -0.686  1.00  0.00           C  
HETATM   10  C   UNL     1       0.467  -3.153   0.620  1.00  0.00           C  
HETATM   11  C   UNL     1       2.064  -2.939  -1.322  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.231   1.012  -0.857  1.00  0.00           C  
HETATM   13  C   UNL     1       3.254  -2.849  -0.373  1.00  0.00           C  
HETATM   14  C   UNL     1       2.861  -2.224   0.962  1.00  0.00           C  
HETATM   15  C   UNL     1       1.613  -2.841   1.568  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.358   2.643  -2.453  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.269  -1.562   1.378  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.416  -3.748   0.125  1.00  0.00           C  
HETATM   19  C   UNL     1       1.525  -5.162  -0.358  1.00  0.00           C  
HETATM   20  C   UNL     1       0.026  -0.776  -0.108  1.00  0.00           C  
HETATM   21  C   UNL     1       4.027  -2.509   1.945  1.00  0.00           C  
HETATM   22  C   UNL     1       3.808  -0.067   0.353  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.863   0.635   0.456  1.00  0.00           C  
HETATM   24  CA  UNL     1       4.854   2.039  -0.289  1.00  0.00           C  
HETATM   25  C   UNL     1       4.782   2.057  -1.817  1.00  0.00           C  
HETATM   26  C   UNL     1       4.796   3.451   0.234  1.00  0.00           C  
HETATM   27  C   UNL     1       5.618   5.680   0.417  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.123   1.469   1.497  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.772   2.699   1.280  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.175   3.062  -0.026  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.914   0.172  -1.925  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.079  -0.936  -1.729  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.687  -1.343  -0.514  1.00  0.00           C  
HETATM   34  N   UNL     1       2.769  -0.770   0.844  1.00  0.00           N  
HETATM   35  N   UNL     1       3.723   1.274   0.244  1.00  0.00           N  
HETATM   36  O   UNL     1      -4.988   3.451   2.220  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.825   4.238  -0.239  1.00  0.00           O  
HETATM   38  O   UNL     1       4.823  -0.642   0.009  1.00  0.00           O  
HETATM   39  O   UNL     1       3.614   2.770  -2.230  1.00  0.00           O  
HETATM   40  O   UNL     1       5.737   4.338  -0.124  1.00  0.00           O  
HETATM   41  O   UNL     1       3.902   3.784   0.975  1.00  0.00           O  
HETATM   42  H   UNL     1      -1.674  -2.539   2.292  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.323  -1.433   2.533  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.515   0.426   1.532  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.542  -0.326   2.742  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.975  -3.130  -2.453  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.661  -1.969  -2.245  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.705  -4.920  -1.438  1.00  0.00           H  
HETATM   49  H   UNL     1       0.282  -4.164  -2.681  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.069  -4.004   1.141  1.00  0.00           H  
HETATM   51  H   UNL     1       2.392  -3.450  -2.240  1.00  0.00           H  
HETATM   52  H   UNL     1       1.722  -1.951  -1.605  1.00  0.00           H  
HETATM   53  H   UNL     1       3.710  -3.822  -0.215  1.00  0.00           H  
HETATM   54  H   UNL     1       4.017  -2.206  -0.841  1.00  0.00           H  
HETATM   55  H   UNL     1       1.248  -2.172   2.363  1.00  0.00           H  
HETATM   56  H   UNL     1       1.902  -3.772   2.085  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.856   3.611  -2.402  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.489   2.716  -3.108  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.049   1.899  -2.849  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.081  -1.718   0.668  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.839  -2.525   1.655  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.656  -1.068   2.269  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.692  -3.584   1.166  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.312  -3.948  -0.462  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.741  -4.601   0.058  1.00  0.00           H  
HETATM   66  H   UNL     1       1.902  -5.623  -1.272  1.00  0.00           H  
HETATM   67  H   UNL     1       2.338  -5.061   0.360  1.00  0.00           H  
HETATM   68  H   UNL     1       0.740  -5.787   0.067  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.777  -0.162  -0.516  1.00  0.00           H  
HETATM   70  H   UNL     1       0.551  -0.219   0.667  1.00  0.00           H  
HETATM   71  H   UNL     1       0.723  -1.036  -0.904  1.00  0.00           H  
HETATM   72  H   UNL     1       4.944  -2.061   1.561  1.00  0.00           H  
HETATM   73  H   UNL     1       3.794  -2.080   2.920  1.00  0.00           H  
HETATM   74  H   UNL     1       4.163  -3.586   2.045  1.00  0.00           H  
HETATM   75  HA  UNL     1       5.788   1.573   0.026  1.00  0.00           H  
HETATM   76  H1  UNL     1       5.668   2.549  -2.216  1.00  0.00           H  
HETATM   77  H2  UNL     1       4.734   1.034  -2.190  1.00  0.00           H  
HETATM   78  H   UNL     1       4.669   6.116   0.102  1.00  0.00           H  
HETATM   79  H   UNL     1       5.655   5.638   1.505  1.00  0.00           H  
HETATM   80  H   UNL     1       6.440   6.295   0.049  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.833   1.192   2.501  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.264   0.376  -2.925  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.744  -1.478  -2.600  1.00  0.00           H  
HETATM   84  H   UNL     1       1.959  -0.312   1.118  1.00  0.00           H  
HETATM   85  H   UNL     1       2.914   1.732   0.519  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.966   4.760   0.562  1.00  0.00           H  
HETATM   87  H   UNL     1       3.504   2.821  -3.190  1.00  0.00           H  
CONECT    1   16   12   30   30                                       
CONECT    2   33   23    6   17                                       
CONECT    3    7    4   33   18                                       
CONECT    4   20   10    3    5                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5    2   44   45                                       
CONECT    7    8    3   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9   11    8   19   10                                       
CONECT   10    9    4   15   50                                       
CONECT   11   13    9   51   52                                       
CONECT   12   31   31    1   23                                       
CONECT   13   11   14   53   54                                       
CONECT   14   13   34   21   15                                       
CONECT   15   14   10   55   56                                       
CONECT   16    1   57   58   59                                       
CONECT   17    2   60   61   62                                       
CONECT   18    3   63   64   65                                       
CONECT   19    9   66   67   68                                       
CONECT   20    4   69   70   71                                       
CONECT   21   14   72   73   74                                       
CONECT   22   34   35   38   38                                       
CONECT   23   12    2   28   28                                       
CONECT   24   25   35   26   75                                       
CONECT   25   39   24   76   77                                       
CONECT   26   41   41   24   40                                       
CONECT   27   40   78   79   80                                       
CONECT   28   23   23   29   81                                       
CONECT   29   30   28   36   36                                       
CONECT   30    1    1   37   29                                       
CONECT   31   32   12   12   82                                       
CONECT   32   31   33   33   83                                       
CONECT   33   32   32    3    2                                       
CONECT   34   14   22   84                                            
CONECT   35   24   22   85                                            
CONECT   36   29   29                                                 
CONECT   37   30   86                                                 
CONECT   38   22   22                                                 
CONECT   39   25   87                                                 
CONECT   40   26   27                                                 
CONECT   41   26   26                                                 
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
