COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -3.800  -0.397   0.213  1.00  0.00           C  
ATOM      2  CG1 VAL A   1      -6.180   2.667  -0.214  1.00  0.00           C  
ATOM      3  CG2 VAL A   1      -7.204   1.982   1.959  1.00  0.00           C  
ATOM      4  CB  VAL A   1      -6.058   1.719   0.980  1.00  0.00           C  
ATOM      5  O   VAL A   1      -7.321  -0.277  -1.463  1.00  0.00           O  
ATOM      6  C   VAL A   1      -7.387   0.070  -0.308  1.00  0.00           C  
ATOM      7  CA  VAL A   1      -6.126   0.271   0.492  1.00  0.00           C  
ATOM      8  N   VAL A   1      -4.963  -0.015  -0.351  1.00  0.00           N  
HETATM    9  O   UNK A   0      -3.716  -0.503   1.422  1.00  0.00           O  
HETATM   10  N   UNK A   0      -2.731  -0.666  -0.562  1.00  0.00           N  
HETATM   11  C   UNK A   0      -1.466  -1.080   0.051  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.487  -2.591   0.292  1.00  0.00           C  
HETATM   13  C   UNK A   0      -2.563  -2.927   1.327  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.799  -3.312  -1.020  1.00  0.00           C  
HETATM   15  C   UNK A   0      -0.324  -0.734  -0.869  1.00  0.00           C  
HETATM   16  O   UNK A   0      -0.537  -0.509  -2.042  1.00  0.00           O  
HETATM   17  N   UNK A   0       0.934  -0.675  -0.389  1.00  0.00           N  
HETATM   18  C   UNK A   0       2.056  -0.449  -1.303  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.324  -1.012  -0.706  1.00  0.00           C  
HETATM   20  O   UNK A   0       4.156  -1.531  -1.420  1.00  0.00           O  
HETATM   21  N   UNK A   0       3.526  -0.932   0.633  1.00  0.00           N  
HETATM   22  C   UNK A   0       4.924  -1.040   1.102  1.00  0.00           C  
HETATM   23  C   UNK A   0       5.577  -2.293   0.514  1.00  0.00           C  
HETATM   24  C   UNK A   0       6.974  -2.469   1.112  1.00  0.00           C  
HETATM   25  C   UNK A   0       4.722  -3.517   0.846  1.00  0.00           C  
HETATM   26  C   UNK A   0       5.650   0.196   0.618  1.00  0.00           C  
HETATM   27  C   UNK A   0       5.024   1.369   0.679  1.00  0.00           C  
HETATM   28  C   UNK A   0       5.661   2.596   0.186  1.00  0.00           C  
HETATM   29  O   UNK A   0       6.826   2.579  -0.162  1.00  0.00           O  
HETATM   30  N   UNK A   0       4.948   3.748   0.118  1.00  0.00           N  
HETATM   31  C   UNK A   0       3.546   3.731   0.565  1.00  0.00           C  
HETATM   32  C   UNK A   0       2.644   3.281  -0.587  1.00  0.00           C  
HETATM   33  C   UNK A   0       2.370   1.806  -0.448  1.00  0.00           C  
HETATM   34  C   UNK A   0       2.268   1.036  -1.501  1.00  0.00           C  
ATOM     35  OXT VAL A   1      -8.585   0.276   0.263  1.00  0.00           O  
ATOM     36 HG11 VAL A   1      -6.132   3.699   0.134  1.00  0.00           H  
ATOM     37 HG12 VAL A   1      -5.364   2.480  -0.912  1.00  0.00           H  
ATOM     38 HG13 VAL A   1      -7.133   2.498  -0.717  1.00  0.00           H  
ATOM     39 HG21 VAL A   1      -8.157   1.813   1.457  1.00  0.00           H  
ATOM     40 HG22 VAL A   1      -7.117   1.307   2.810  1.00  0.00           H  
ATOM     41 HG23 VAL A   1      -7.156   3.014   2.307  1.00  0.00           H  
ATOM     42  HB  VAL A   1      -5.106   1.889   1.483  1.00  0.00           H  
ATOM     43  HA  VAL A   1      -6.129  -0.402   1.349  1.00  0.00           H  
ATOM     44  H   VAL A   1      -5.029   0.069  -1.315  1.00  0.00           H  
HETATM   45  H   UNK A   0      -2.798  -0.585  -1.526  1.00  0.00           H  
HETATM   46  H   UNK A   0      -1.337  -0.562   1.002  1.00  0.00           H  
HETATM   47  H   UNK A   0      -0.514  -2.913   0.662  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.547  -2.710   0.911  1.00  0.00           H  
HETATM   49  H   UNK A   0      -2.503  -3.985   1.583  1.00  0.00           H  
HETATM   50  H   UNK A   0      -2.406  -2.327   2.223  1.00  0.00           H  
HETATM   51  H   UNK A   0      -1.032  -3.073  -1.758  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.814  -4.389  -0.849  1.00  0.00           H  
HETATM   53  H   UNK A   0      -2.772  -2.990  -1.390  1.00  0.00           H  
HETATM   54  H   UNK A   0       1.096  -0.781   0.561  1.00  0.00           H  
HETATM   55  H   UNK A   0       1.855  -0.927  -2.262  1.00  0.00           H  
HETATM   56  H   UNK A   0       2.790  -0.809   1.252  1.00  0.00           H  
HETATM   57  H   UNK A   0       4.949  -1.085   2.191  1.00  0.00           H  
HETATM   58  H   UNK A   0       5.655  -2.187  -0.568  1.00  0.00           H  
HETATM   59  H   UNK A   0       6.896  -2.574   2.194  1.00  0.00           H  
HETATM   60  H   UNK A   0       7.439  -3.361   0.692  1.00  0.00           H  
HETATM   61  H   UNK A   0       7.583  -1.596   0.875  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.187  -4.410   0.427  1.00  0.00           H  
HETATM   63  H   UNK A   0       4.644  -3.623   1.928  1.00  0.00           H  
HETATM   64  H   UNK A   0       3.727  -3.392   0.420  1.00  0.00           H  
HETATM   65  H   UNK A   0       6.651   0.122   0.232  1.00  0.00           H  
HETATM   66  H   UNK A   0       4.037   1.414   1.120  1.00  0.00           H  
HETATM   67  H   UNK A   0       5.352   4.564  -0.217  1.00  0.00           H  
HETATM   68  H   UNK A   0       3.440   3.039   1.400  1.00  0.00           H  
HETATM   69  H   UNK A   0       3.255   4.731   0.885  1.00  0.00           H  
HETATM   70  H   UNK A   0       1.704   3.831  -0.551  1.00  0.00           H  
HETATM   71  H   UNK A   0       3.143   3.471  -1.537  1.00  0.00           H  
HETATM   72  H   UNK A   0       2.245   1.378   0.538  1.00  0.00           H  
HETATM   73  H   UNK A   0       2.330   1.446  -2.495  1.00  0.00           H  
ATOM     74  HXT VAL A   1      -9.365   0.134  -0.290  1.00  0.00           H  
CONECT    1    8    9    9   10                                       
CONECT    2    4   36   37   38                                       
CONECT    3    4   39   40   41                                       
CONECT    4    2    3    7   42                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    7   35                                       
CONECT    7    4    6    8   43                                       
CONECT    8    1    7   44                                            
CONECT    9    1    1                                                 
CONECT   10    1   11   45                                            
CONECT   11   10   12   15   46                                       
CONECT   12   11   13   14   47                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15   11   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   54                                            
CONECT   18   17   19   34   55                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   56                                            
CONECT   22   21   23   26   57                                       
CONECT   23   22   24   25   58                                       
CONECT   24   23   59   60   61                                       
CONECT   25   23   62   63   64                                       
CONECT   26   22   27   27   65                                       
CONECT   27   26   26   28   66                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   67                                            
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   34   72                                       
CONECT   34   18   33   33   73                                       
CONECT   35    6   74                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
