COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.713   2.860   1.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.140   2.385   0.977  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.927   1.390  -0.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.134   0.222  -0.598  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.106   0.709  -1.674  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.952  -1.360  -0.663  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.649  -1.037  -0.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.642  -0.911   0.562  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.807   2.096   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       0.501   1.687   1.021  1.00  0.00           C  
HETATM   11  C   UNL     1       0.968  -0.069  -0.579  1.00  0.00           C  
HETATM   12  C   UNL     1       0.817  -1.123   0.520  1.00  0.00           C  
HETATM   13  CA  UNL     1       0.492  -2.477  -0.114  1.00  0.00           C  
HETATM   14  C   UNL     1       0.421  -3.531   0.961  1.00  0.00           C  
HETATM   15  C   UNL     1       2.789   1.027   0.581  1.00  0.00           C  
HETATM   16  C   UNL     1       3.810   0.896  -0.551  1.00  0.00           C  
HETATM   17  C   UNL     1       5.192   0.613   0.040  1.00  0.00           C  
HETATM   18  C   UNL     1       7.504   0.229  -0.750  1.00  0.00           C  
HETATM   19  C   UNL     1       7.904   0.090   0.576  1.00  0.00           C  
HETATM   20  C   UNL     1       9.234  -0.167   0.854  1.00  0.00           C  
HETATM   21  C   UNL     1      10.123  -0.277  -0.207  1.00  0.00           C  
HETATM   22  C   UNL     1       9.658  -0.127  -1.498  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.866   0.271  -0.078  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.891   1.055  -1.306  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.633  -0.463  -1.368  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.513  -2.585  -0.347  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.689  -1.678   0.461  1.00  0.00           N  
HETATM   28  N   UNL     1       1.444   1.189   0.011  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.802  -2.396  -0.805  1.00  0.00           N  
HETATM   30  N   UNL     1       6.170   0.488  -1.043  1.00  0.00           N  
HETATM   31  N   UNL     1       8.384   0.123  -1.733  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.592   4.270   1.135  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.944   3.487   0.552  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.568   0.926  -0.030  1.00  0.00           O  
HETATM   35  OXT UNL     1       1.551  -4.069   1.449  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.651  -3.892   1.384  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.466   2.596   2.359  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.598   1.884   1.829  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.048   1.895  -1.144  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.695   1.409  -2.249  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.729  -1.174   1.076  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.602   2.709  -0.538  1.00  0.00           H  
HETATM   43  H   UNL     1       0.933   2.551   1.527  1.00  0.00           H  
HETATM   44  H   UNL     1       0.301   0.902   1.750  1.00  0.00           H  
HETATM   45  H   UNL     1       1.686  -0.417  -1.321  1.00  0.00           H  
HETATM   46  H   UNL     1       0.002   0.097  -1.058  1.00  0.00           H  
HETATM   47  H   UNL     1       1.749  -1.199   1.080  1.00  0.00           H  
HETATM   48  H   UNL     1       0.011  -0.834   1.193  1.00  0.00           H  
HETATM   49  HA  UNL     1       1.270  -2.740  -0.830  1.00  0.00           H  
HETATM   50  H   UNL     1       2.815   0.130   1.200  1.00  0.00           H  
HETATM   51  H   UNL     1       3.032   1.896   1.191  1.00  0.00           H  
HETATM   52  H   UNL     1       3.521   0.076  -1.208  1.00  0.00           H  
HETATM   53  H   UNL     1       3.841   1.825  -1.120  1.00  0.00           H  
HETATM   54  H   UNL     1       5.481   1.433   0.698  1.00  0.00           H  
HETATM   55  H   UNL     1       5.161  -0.315   0.610  1.00  0.00           H  
HETATM   56  H   UNL     1       7.185   0.182   1.377  1.00  0.00           H  
HETATM   57  H   UNL     1       9.573  -0.280   1.873  1.00  0.00           H  
HETATM   58  H   UNL     1      11.168  -0.481  -0.024  1.00  0.00           H  
HETATM   59  H   UNL     1      10.347  -0.211  -2.326  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.413  -2.797  -0.640  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.006  -3.232   0.168  1.00  0.00           H  
HETATM   62  H1  UNL     1      -1.522  -2.054  -0.186  1.00  0.00           H  
HETATM   63  H2  UNL     1      -0.734  -1.823  -1.633  1.00  0.00           H  
HETATM   64  H   UNL     1       5.887   0.587  -1.966  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.184   4.797   1.689  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.060   4.172   1.224  1.00  0.00           H  
HETATM   67  HXT UNL     1       1.455  -4.741   2.137  1.00  0.00           H  
CONECT    1    9    2   32   37                                       
CONECT    2    1    3   33   38                                       
CONECT    3   34    2   23   39                                       
CONECT    4   23    7    7   24                                       
CONECT    5   24   24   25   40                                       
CONECT    6    7   26   25   25                                       
CONECT    7   27    4    4    6                                       
CONECT    8   27   27   23   41                                       
CONECT    9   10    1   34   42                                       
CONECT   10   28    9   43   44                                       
CONECT   11   28   12   45   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   12   29   14   49                                       
CONECT   14   36   36   13   35                                       
CONECT   15   16   28   50   51                                       
CONECT   16   17   15   52   53                                       
CONECT   17   30   16   54   55                                       
CONECT   18   31   31   19   30                                       
CONECT   19   20   20   18   56                                       
CONECT   20   21   19   19   57                                       
CONECT   21   22   22   20   58                                       
CONECT   22   21   21   31   59                                       
CONECT   23    8    3    4                                            
CONECT   24    4    5    5                                            
CONECT   25    6    6    5                                            
CONECT   26    6   60   61                                            
CONECT   27    8    8    7                                            
CONECT   28   15   10   11                                            
CONECT   29   13   62   63                                            
CONECT   30   18   17   64                                            
CONECT   31   22   18   18                                            
CONECT   32    1   65                                                 
CONECT   33    2   66                                                 
CONECT   34    9    3                                                 
CONECT   35   14   67                                                 
CONECT   36   14   14                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
