COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.880   2.978  -0.348  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.602  -1.549   0.262  1.00  0.00           C  
HETATM    3  C   UNL     1       0.290  -0.974  -0.207  1.00  0.00           C  
HETATM    4  CA  UNL     1      -2.113  -1.157  -0.569  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.707  -0.493   0.647  1.00  0.00           C  
HETATM    6  CA  UNL     1      -4.483   0.762   1.745  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.452   1.861   1.303  1.00  0.00           C  
HETATM    8  C   UNL     1       8.569   2.412   0.874  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.677   2.964   0.579  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.631   4.103   0.149  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.986   3.688  -1.296  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.110   2.444  -0.724  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.236  -0.278   2.576  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.378  -2.647  -3.628  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.270  -4.027  -2.976  1.00  0.00           C  
HETATM   16  C   UNL     1       7.722   1.322   0.935  1.00  0.00           C  
HETATM   17  C   UNL     1       1.463  -2.022   1.710  1.00  0.00           C  
HETATM   18  C   UNL     1       2.695  -2.643   2.371  1.00  0.00           C  
HETATM   19  C   UNL     1       1.514  -3.530   1.969  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.055  -2.257  -1.061  1.00  0.00           C  
HETATM   21  C   UNL     1       7.185   0.798  -0.226  1.00  0.00           C  
HETATM   22  C   UNL     1       7.496   1.364  -1.448  1.00  0.00           C  
HETATM   23  C   UNL     1       8.339   2.458  -1.509  1.00  0.00           C  
HETATM   24  C   UNL     1       6.262  -0.392  -0.160  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.522  -2.835  -2.374  1.00  0.00           C  
HETATM   26  C   UNL     1       3.935  -0.879   0.052  1.00  0.00           C  
HETATM   27  N   UNL     1       2.642  -0.521   0.181  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.816  -1.744  -0.220  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.905   0.118   0.563  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.858   2.869  -1.756  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.123   1.746  -0.822  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.352  -0.768   1.830  1.00  0.00           O  
HETATM   33  O   UNL     1       4.238  -2.054   0.002  1.00  0.00           O  
HETATM   34  O   UNL     1       0.230   0.181  -0.572  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.107  -0.509   1.701  1.00  0.00           O  
HETATM   36  O   UNL     1       4.891   0.066  -0.022  1.00  0.00           O  
HETATM   37  H   UNL     1       9.542   3.830  -0.396  1.00  0.00           H  
HETATM   38  HA  UNL     1       1.876  -2.393  -0.372  1.00  0.00           H  
HETATM   39  HA  UNL     1      -1.976  -0.416  -1.357  1.00  0.00           H  
HETATM   40  HA  UNL     1      -3.686   1.201   2.345  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.198   1.439   0.630  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.948   2.281   2.178  1.00  0.00           H  
HETATM   43  H   UNL     1       8.988   2.821   1.781  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.881   3.350   1.215  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.521   4.124   0.778  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.121   5.065   0.164  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.905   3.103  -1.306  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.092   4.571  -1.927  1.00  0.00           H  
HETATM   49  H1  UNL     1      -4.568  -1.105   2.816  1.00  0.00           H  
HETATM   50  H2  UNL     1      -5.590   0.182   3.499  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.858  -2.495  -4.574  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.321  -2.111  -3.518  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.141  -4.399  -2.437  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.678  -4.783  -3.493  1.00  0.00           H  
HETATM   55  H   UNL     1       7.479   0.879   1.890  1.00  0.00           H  
HETATM   56  H   UNL     1       0.802  -1.426   2.338  1.00  0.00           H  
HETATM   57  H   UNL     1       3.605  -2.715   1.775  1.00  0.00           H  
HETATM   58  H   UNL     1       2.845  -2.455   3.435  1.00  0.00           H  
HETATM   59  H   UNL     1       0.886  -3.924   2.767  1.00  0.00           H  
HETATM   60  H   UNL     1       1.646  -4.184   1.107  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.113  -3.048  -0.313  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.048  -1.839  -1.225  1.00  0.00           H  
HETATM   63  H   UNL     1       7.073   0.957  -2.355  1.00  0.00           H  
HETATM   64  H   UNL     1       8.581   2.901  -2.464  1.00  0.00           H  
HETATM   65  H   UNL     1       6.359  -0.978  -1.074  1.00  0.00           H  
HETATM   66  H   UNL     1       6.527  -1.010   0.698  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.439  -2.807  -2.494  1.00  0.00           H  
HETATM   68  H   UNL     1       2.401   0.418   0.221  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.754  -2.686   0.001  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.385   0.130  -0.280  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.676   2.660  -2.686  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.876  -1.433   2.297  1.00  0.00           H  
CONECT    1   23    8    8   37                                       
CONECT    2    3   17   27   38                                       
CONECT    3   28    2   34   34                                       
CONECT    4   20    5   28   39                                       
CONECT    5   35   35    4   29                                       
CONECT    6   13   29    7   40                                       
CONECT    7    6    9   41   42                                       
CONECT    8    1    1   16   43                                       
CONECT    9   10    7   12   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   30   47   48                                       
CONECT   12    9   30   31   31                                       
CONECT   13   32    6   49   50                                       
CONECT   14   15   25   51   52                                       
CONECT   15   25   14   53   54                                       
CONECT   16   21   21    8   55                                       
CONECT   17   19    2   18   56                                       
CONECT   18   19   17   57   58                                       
CONECT   19   18   17   59   60                                       
CONECT   20   25    4   61   62                                       
CONECT   21   22   24   16   16                                       
CONECT   22   23   23   21   63                                       
CONECT   23   22   22    1   64                                       
CONECT   24   36   21   65   66                                       
CONECT   25   15   20   14   67                                       
CONECT   26   33   33   27   36                                       
CONECT   27    2   26   68                                            
CONECT   28    4    3   69                                            
CONECT   29    6    5   70                                            
CONECT   30   11   12   71                                            
CONECT   31   12   12                                                 
CONECT   32   13   72                                                 
CONECT   33   26   26                                                 
CONECT   34    3    3                                                 
CONECT   35    5    5                                                 
CONECT   36   26   24                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
