COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   VAL A   1      -2.773   0.685   0.030  1.00  0.00           N  
HETATM    2  C   UNK A   0      -9.040  -0.192   2.069  1.00  0.00           C  
HETATM    3  O   UNK A   0      -5.084   0.373   0.105  1.00  0.00           O  
HETATM    4  C   UNK A   0      -9.449  -1.426   1.599  1.00  0.00           C  
ATOM      5  CB  VAL A   1      -1.382   2.694   0.124  1.00  0.00           C  
ATOM      6  CG2 VAL A   1      -2.615   3.575  -0.088  1.00  0.00           C  
ATOM      7  CG1 VAL A   1      -1.156   2.484   1.622  1.00  0.00           C  
HETATM    8  C   UNK A   2       1.998   0.032  -0.600  1.00  0.00           C  
HETATM    9  C   UNK A   2       3.237   0.891  -0.614  1.00  0.00           C  
HETATM   10  C   UNK A   2       2.083  -1.004  -1.722  1.00  0.00           C  
HETATM   11  C   UNK A   2       0.905  -1.940  -1.631  1.00  0.00           C  
HETATM   12  C   UNK A   2      -0.339  -3.663  -1.088  1.00  0.00           C  
HETATM   13  C   UNK A   2      -1.087  -2.877  -1.883  1.00  0.00           C  
HETATM   14  C   UNK A   2      -0.284  -1.769  -2.237  1.00  0.00           C  
HETATM   15  C   UNK A   0      -8.863  -1.964   0.468  1.00  0.00           C  
HETATM   16  C   UNK A   3       5.653   1.162  -0.460  1.00  0.00           C  
HETATM   17  C   UNK A   3       6.113   1.369  -1.904  1.00  0.00           C  
HETATM   18  C   UNK A   3       6.763   0.470   0.334  1.00  0.00           C  
HETATM   19  C   UNK A   3       6.354   0.374   1.805  1.00  0.00           C  
HETATM   20  C   UNK A   3       7.473  -0.295   2.636  1.00  0.00           C  
HETATM   21  C   UNK A   3       7.028  -1.774   2.631  1.00  0.00           C  
HETATM   22  C   UNK A   3       5.168  -0.552   1.966  1.00  0.00           C  
HETATM   23  C   UNK A   0      -7.869  -1.267  -0.193  1.00  0.00           C  
HETATM   24  C   UNK A   0      -7.460  -0.033   0.278  1.00  0.00           C  
HETATM   25  C   UNK A   0      -8.049   0.507   1.405  1.00  0.00           C  
HETATM   26  C   UNK A   0      -6.380   0.729  -0.446  1.00  0.00           C  
HETATM   27  C   UNK A   0      -4.005   0.971  -0.435  1.00  0.00           C  
ATOM     28  CA  VAL A   1      -1.600   1.340  -0.554  1.00  0.00           C  
ATOM     29  C   VAL A   1      -0.385   0.473  -0.345  1.00  0.00           C  
HETATM   30  N   UNK A   2       0.817   0.876  -0.802  1.00  0.00           N  
HETATM   31  N   UNK A   3       4.449   0.327  -0.446  1.00  0.00           N  
HETATM   32  N   UNK A   3       5.574  -1.745   2.434  1.00  0.00           N  
HETATM   33  O   UNK A   0      -4.143   1.768  -1.342  1.00  0.00           O  
ATOM     34  O   VAL A   1      -0.489  -0.588   0.234  1.00  0.00           O  
HETATM   35  O   UNK A   2       0.866  -3.089  -0.937  1.00  0.00           O  
HETATM   36  O   UNK A   2       3.142   2.089  -0.778  1.00  0.00           O  
HETATM   37  O   UNK A   3       4.019  -0.260   1.711  1.00  0.00           O  
HETATM   38  O   UNK A   3       6.515   0.116  -2.461  1.00  0.00           O  
ATOM     39  H   VAL A   1      -2.664   0.049   0.754  1.00  0.00           H  
HETATM   40  H   UNK A   0      -9.498   0.227   2.953  1.00  0.00           H  
HETATM   41  H   UNK A   0     -10.226  -1.970   2.115  1.00  0.00           H  
ATOM     42  HB  VAL A   1      -0.509   3.181  -0.310  1.00  0.00           H  
ATOM     43 HG21 VAL A   1      -3.488   3.088   0.347  1.00  0.00           H  
ATOM     44 HG22 VAL A   1      -2.460   4.540   0.395  1.00  0.00           H  
ATOM     45 HG23 VAL A   1      -2.776   3.724  -1.155  1.00  0.00           H  
ATOM     46 HG11 VAL A   1      -2.029   1.997   2.057  1.00  0.00           H  
ATOM     47 HG12 VAL A   1      -0.277   1.857   1.773  1.00  0.00           H  
ATOM     48 HG13 VAL A   1      -1.001   3.449   2.105  1.00  0.00           H  
HETATM   49  H   UNK A   2       1.920  -0.477   0.361  1.00  0.00           H  
HETATM   50  H   UNK A   2       2.071  -0.498  -2.687  1.00  0.00           H  
HETATM   51  H   UNK A   2       3.007  -1.573  -1.621  1.00  0.00           H  
HETATM   52  H   UNK A   2      -0.655  -4.595  -0.644  1.00  0.00           H  
HETATM   53  H   UNK A   2      -2.105  -3.060  -2.195  1.00  0.00           H  
HETATM   54  H   UNK A   2      -0.570  -0.943  -2.872  1.00  0.00           H  
HETATM   55  H   UNK A   0      -9.182  -2.928   0.101  1.00  0.00           H  
HETATM   56  H   UNK A   3       5.431   2.128  -0.007  1.00  0.00           H  
HETATM   57  H   UNK A   3       5.292   1.781  -2.491  1.00  0.00           H  
HETATM   58  H   UNK A   3       6.955   2.061  -1.922  1.00  0.00           H  
HETATM   59  H   UNK A   3       6.924  -0.532  -0.064  1.00  0.00           H  
HETATM   60  H   UNK A   3       7.684   1.046   0.250  1.00  0.00           H  
HETATM   61  H   UNK A   3       6.122   1.363   2.201  1.00  0.00           H  
HETATM   62  H   UNK A   3       8.442  -0.177   2.151  1.00  0.00           H  
HETATM   63  H   UNK A   3       7.496   0.102   3.651  1.00  0.00           H  
HETATM   64  H   UNK A   3       7.508  -2.310   1.812  1.00  0.00           H  
HETATM   65  H   UNK A   3       7.272  -2.245   3.583  1.00  0.00           H  
HETATM   66  H   UNK A   0      -7.411  -1.687  -1.076  1.00  0.00           H  
HETATM   67  H   UNK A   0      -7.730   1.471   1.773  1.00  0.00           H  
HETATM   68  H   UNK A   0      -6.545   1.799  -0.323  1.00  0.00           H  
HETATM   69  H   UNK A   0      -6.405   0.477  -1.506  1.00  0.00           H  
ATOM     70  HA  VAL A   1      -1.761   1.489  -1.621  1.00  0.00           H  
HETATM   71  H   UNK A   2       0.900   1.724  -1.265  1.00  0.00           H  
HETATM   72  H   UNK A   3       4.525  -0.631  -0.315  1.00  0.00           H  
HETATM   73  H   UNK A   3       4.982  -2.490   2.619  1.00  0.00           H  
HETATM   74  H   UNK A   3       6.819   0.172  -3.377  1.00  0.00           H  
CONECT    1   28   27   39                                            
CONECT    2   25    4    4   40                                       
CONECT    3   27   26                                                 
CONECT    4    2    2   15   41                                       
CONECT    5   28    7    6   42                                       
CONECT    6    5   43   44   45                                       
CONECT    7    5   46   47   48                                       
CONECT    8   10    9   30   49                                       
CONECT    9   31    8   36   36                                       
CONECT   10   11    8   50   51                                       
CONECT   11   35   14   14   10                                       
CONECT   12   35   13   13   52                                       
CONECT   13   12   12   14   53                                       
CONECT   14   13   11   11   54                                       
CONECT   15   23   23    4   55                                       
CONECT   16   17   18   31   56                                       
CONECT   17   38   16   57   58                                       
CONECT   18   16   19   59   60                                       
CONECT   19   18   22   20   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   32   64   65                                       
CONECT   22   37   37   19   32                                       
CONECT   23   24   15   15   66                                       
CONECT   24   26   25   25   23                                       
CONECT   25   24   24    2   67                                       
CONECT   26    3   24   68   69                                       
CONECT   27    1   33   33    3                                       
CONECT   28   29    1    5   70                                       
CONECT   29   34   34   30   28                                       
CONECT   30    8   29   71                                            
CONECT   31   16    9   72                                            
CONECT   32   22   21   73                                            
CONECT   33   27   27                                                 
CONECT   34   29   29                                                 
CONECT   35   12   11                                                 
CONECT   36    9    9                                                 
CONECT   37   22   22                                                 
CONECT   38   17   74                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
