COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.578   1.184  -0.701  1.00  0.00           C  
HETATM    2  O   UNK A   0       4.594   0.428  -1.652  1.00  0.00           O  
HETATM    3  O   UNK A   0       5.710   1.804  -0.316  1.00  0.00           O  
HETATM    4  C   UNK A   0       6.910   1.521  -1.082  1.00  0.00           C  
HETATM    5  C   UNK A   0       8.067   2.298  -0.509  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.849   1.740   0.485  1.00  0.00           C  
HETATM    7  C   UNK A   0       9.911   2.453   1.011  1.00  0.00           C  
HETATM    8  C   UNK A   0      10.190   3.723   0.543  1.00  0.00           C  
HETATM    9  C   UNK A   0       9.408   4.281  -0.451  1.00  0.00           C  
HETATM   10  C   UNK A   0       8.350   3.567  -0.980  1.00  0.00           C  
HETATM   11  C   UNK A   1       4.260  -5.144   0.365  1.00  0.00           C  
HETATM   12  N   UNK A   1       3.428   1.407  -0.036  1.00  0.00           N  
HETATM   13  C   UNK A   1       2.195   0.738  -0.459  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.125  -0.651   0.179  1.00  0.00           C  
HETATM   15  C   UNK A   1       3.263  -1.519  -0.361  1.00  0.00           C  
HETATM   16  C   UNK A   1       3.192  -2.908   0.277  1.00  0.00           C  
HETATM   17  C   UNK A   1       4.330  -3.776  -0.263  1.00  0.00           C  
HETATM   18  C   UNK A   1       1.006   1.553  -0.022  1.00  0.00           C  
HETATM   19  O   UNK A   1       1.171   2.591   0.584  1.00  0.00           O  
HETATM   20  O   UNK A   1       3.389  -5.399   1.163  1.00  0.00           O  
HETATM   21  O   UNK A   1       5.165  -6.080   0.038  1.00  0.00           O  
HETATM   22  C   UNK A   1       5.037  -7.375   0.682  1.00  0.00           C  
HETATM   23  C   UNK A   1       6.148  -8.303   0.188  1.00  0.00           C  
ATOM     24  N   VAL A   2      -0.242   1.128  -0.303  1.00  0.00           N  
ATOM     25  CA  VAL A   2      -1.399   1.921   0.122  1.00  0.00           C  
ATOM     26  C   VAL A   2      -2.600   1.021   0.260  1.00  0.00           C  
ATOM     27  O   VAL A   2      -2.804   0.151  -0.560  1.00  0.00           O  
ATOM     28  CB  VAL A   2      -1.688   3.001  -0.922  1.00  0.00           C  
ATOM     29  CG1 VAL A   2      -2.865   3.860  -0.454  1.00  0.00           C  
ATOM     30  CG2 VAL A   2      -0.451   3.884  -1.099  1.00  0.00           C  
ATOM     31  N   PRO A   3      -3.448   1.184   1.295  1.00  0.00           N  
ATOM     32  CA  PRO A   3      -4.600   0.324   1.602  1.00  0.00           C  
ATOM     33  C   PRO A   3      -5.563   0.325   0.443  1.00  0.00           C  
ATOM     34  O   PRO A   3      -5.318   0.978  -0.549  1.00  0.00           O  
ATOM     35  CB  PRO A   3      -5.287   0.908   2.855  1.00  0.00           C  
ATOM     36  CG  PRO A   3      -4.817   2.387   2.851  1.00  0.00           C  
ATOM     37  CD  PRO A   3      -3.369   2.249   2.311  1.00  0.00           C  
ATOM     38  N   LEU A   4      -6.697  -0.401   0.508  1.00  0.00           N  
ATOM     39  CA  LEU A   4      -7.633  -0.400  -0.619  1.00  0.00           C  
ATOM     40  C   LEU A   4      -8.556   0.785  -0.504  1.00  0.00           C  
ATOM     41  O   LEU A   4      -8.444   1.551   0.423  1.00  0.00           O  
ATOM     42  CB  LEU A   4      -8.455  -1.691  -0.600  1.00  0.00           C  
ATOM     43  CG  LEU A   4      -7.532  -2.887  -0.840  1.00  0.00           C  
ATOM     44  CD1 LEU A   4      -8.331  -4.184  -0.698  1.00  0.00           C  
ATOM     45  CD2 LEU A   4      -6.945  -2.802  -2.251  1.00  0.00           C  
ATOM     46  OXT LEU A   4      -9.503   0.990  -1.433  1.00  0.00           O  
HETATM   47  H   UNK A   0       7.129   0.455  -1.035  1.00  0.00           H  
HETATM   48  H   UNK A   0       6.755   1.814  -2.121  1.00  0.00           H  
HETATM   49  H   UNK A   0       8.631   0.748   0.850  1.00  0.00           H  
HETATM   50  H   UNK A   0      10.521   2.017   1.788  1.00  0.00           H  
HETATM   51  H   UNK A   0      11.019   4.280   0.955  1.00  0.00           H  
HETATM   52  H   UNK A   0       9.626   5.274  -0.817  1.00  0.00           H  
HETATM   53  H   UNK A   0       7.741   4.001  -1.760  1.00  0.00           H  
HETATM   54  H   UNK A   1       3.416   2.011   0.724  1.00  0.00           H  
HETATM   55  H   UNK A   1       2.190   0.640  -1.544  1.00  0.00           H  
HETATM   56  H   UNK A   1       2.220  -0.559   1.261  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.168  -1.114  -0.063  1.00  0.00           H  
HETATM   58  H   UNK A   1       3.167  -1.611  -1.443  1.00  0.00           H  
HETATM   59  H   UNK A   1       4.219  -1.056  -0.119  1.00  0.00           H  
HETATM   60  H   UNK A   1       3.287  -2.816   1.359  1.00  0.00           H  
HETATM   61  H   UNK A   1       2.235  -3.371   0.034  1.00  0.00           H  
HETATM   62  H   UNK A   1       5.286  -3.313  -0.021  1.00  0.00           H  
HETATM   63  H   UNK A   1       4.235  -3.868  -1.345  1.00  0.00           H  
HETATM   64  H   UNK A   1       5.118  -7.253   1.762  1.00  0.00           H  
HETATM   65  H   UNK A   1       4.067  -7.808   0.438  1.00  0.00           H  
HETATM   66  H   UNK A   1       6.052  -9.275   0.672  1.00  0.00           H  
HETATM   67  H   UNK A   1       6.067  -8.425  -0.892  1.00  0.00           H  
HETATM   68  H   UNK A   1       7.118  -7.870   0.433  1.00  0.00           H  
ATOM     69  H   VAL A   2      -0.374   0.298  -0.788  1.00  0.00           H  
ATOM     70  HA  VAL A   2      -1.184   2.391   1.081  1.00  0.00           H  
ATOM     71  HB  VAL A   2      -1.938   2.530  -1.873  1.00  0.00           H  
ATOM     72 HG11 VAL A   2      -2.651   4.261   0.536  1.00  0.00           H  
ATOM     73 HG12 VAL A   2      -3.015   4.682  -1.154  1.00  0.00           H  
ATOM     74 HG13 VAL A   2      -3.767   3.249  -0.412  1.00  0.00           H  
ATOM     75 HG21 VAL A   2       0.387   3.272  -1.433  1.00  0.00           H  
ATOM     76 HG22 VAL A   2      -0.658   4.653  -1.843  1.00  0.00           H  
ATOM     77 HG23 VAL A   2      -0.202   4.355  -0.149  1.00  0.00           H  
ATOM     78  HA  PRO A   3      -4.262  -0.692   1.802  1.00  0.00           H  
ATOM     79  HB1 PRO A   3      -6.371   0.848   2.764  1.00  0.00           H  
ATOM     80  HB2 PRO A   3      -4.946   0.397   3.755  1.00  0.00           H  
ATOM     81  HG1 PRO A   3      -5.431   2.990   2.183  1.00  0.00           H  
ATOM     82  HG2 PRO A   3      -4.818   2.800   3.860  1.00  0.00           H  
ATOM     83  HD1 PRO A   3      -2.689   1.961   3.112  1.00  0.00           H  
ATOM     84  HD2 PRO A   3      -3.044   3.185   1.855  1.00  0.00           H  
ATOM     85  H   LEU A   4      -6.893  -0.923   1.302  1.00  0.00           H  
ATOM     86  HA  LEU A   4      -7.076  -0.338  -1.554  1.00  0.00           H  
ATOM     87  HB1 LEU A   4      -8.942  -1.797   0.370  1.00  0.00           H  
ATOM     88  HB2 LEU A   4      -9.211  -1.651  -1.384  1.00  0.00           H  
ATOM     89  HG  LEU A   4      -6.724  -2.875  -0.109  1.00  0.00           H  
ATOM     90 HD11 LEU A   4      -9.139  -4.195  -1.429  1.00  0.00           H  
ATOM     91 HD12 LEU A   4      -7.674  -5.036  -0.869  1.00  0.00           H  
ATOM     92 HD13 LEU A   4      -8.750  -4.244   0.307  1.00  0.00           H  
ATOM     93 HD21 LEU A   4      -7.753  -2.813  -2.982  1.00  0.00           H  
ATOM     94 HD22 LEU A   4      -6.376  -1.878  -2.352  1.00  0.00           H  
ATOM     95 HD23 LEU A   4      -6.287  -3.654  -2.422  1.00  0.00           H  
ATOM     96  HXT LEU A   4     -10.072   1.764  -1.317  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   47   48                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   49                                       
CONECT    7    6    8    8   50                                       
CONECT    8    7    7    9   51                                       
CONECT    9    8   10   10   52                                       
CONECT   10    5    9    9   53                                       
CONECT   11   20   20   21   17                                       
CONECT   12   13   54    1                                            
CONECT   13   12   14   18   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   11   16   62   63                                       
CONECT   18   13   19   19   24                                       
CONECT   19   18   18                                                 
CONECT   20   11   11                                                 
CONECT   21   11   22                                                 
CONECT   22   21   23   64   65                                       
CONECT   23   22   66   67   68                                       
CONECT   24   25   69   18                                            
CONECT   25   24   26   28   70                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   30   71                                       
CONECT   29   28   72   73   74                                       
CONECT   30   28   75   76   77                                       
CONECT   31   32   37   26                                            
CONECT   32   31   33   35   78                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   31   36   83   84                                       
CONECT   38   39   85   33                                            
CONECT   39   38   40   42   86                                       
CONECT   40   39   41   41   46                                       
CONECT   41   40   40                                                 
CONECT   42   39   43   87   88                                       
CONECT   43   42   44   45   89                                       
CONECT   44   43   90   91   92                                       
CONECT   45   43   93   94   95                                       
CONECT   46   40   96                                                 
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
