COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       7.627   2.723  -0.090  1.00  0.00           C  
HETATM    2  N   UNK A   0      -2.010   0.079   0.152  1.00  0.00           N  
HETATM    3  C   UNK A   0       6.602   1.677   0.049  1.00  0.00           C  
HETATM    4  C   UNK A   0       6.978   0.362   0.348  1.00  0.00           C  
HETATM    5  C   UNK A   0       6.018  -0.618   0.479  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.678  -0.308   0.318  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.290   1.001   0.020  1.00  0.00           C  
HETATM    8  C   UNK A   0       2.853   1.329  -0.152  1.00  0.00           C  
HETATM    9  C   UNK A   0       2.056   0.559  -0.996  1.00  0.00           C  
HETATM   10  C   UNK A   0       0.720   0.869  -1.152  1.00  0.00           C  
HETATM   11  C   UNK A   0       0.172   1.942  -0.472  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.287   2.275  -0.646  1.00  0.00           C  
HETATM   13  O   UNK A   0      -2.862  -0.004  -1.950  1.00  0.00           O  
HETATM   14  C   UNK A   0      -2.383  -0.550  -0.975  1.00  0.00           C  
HETATM   15  C   UNK A   0      -2.127  -1.998  -0.863  1.00  0.00           C  
HETATM   16  C   UNK A   0      -2.336  -3.062  -1.743  1.00  0.00           C  
HETATM   17  C   UNK A   0      -1.995  -4.344  -1.364  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.446  -4.580  -0.115  1.00  0.00           C  
HETATM   19 BR   UNK A   0      -0.983  -6.342   0.393  1.00  0.00          Br  
HETATM   20  C   UNK A   0      -1.236  -3.529   0.765  1.00  0.00           C  
HETATM   21  C   UNK A   0      -1.573  -2.248   0.396  1.00  0.00           C  
HETATM   22  C   UNK A   0      -1.479  -0.914   1.093  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.111   1.519   0.399  1.00  0.00           C  
HETATM   24  C   UNK A   0      -3.553   1.945   0.306  1.00  0.00           C  
ATOM     25  N   ALA A   1      -3.889   3.236   0.498  1.00  0.00           N  
ATOM     26  CA  ALA A   1      -5.291   3.650   0.407  1.00  0.00           C  
ATOM     27  C   ALA A   1      -5.361   5.112   0.047  1.00  0.00           C  
ATOM     28  O   ALA A   1      -4.344   5.743  -0.117  1.00  0.00           O  
ATOM     29  OXT ALA A   1      -6.553   5.713  -0.092  1.00  0.00           O  
ATOM     30  CB  ALA A   1      -5.978   3.424   1.755  1.00  0.00           C  
HETATM   31  O   UNK A   0      -4.412   1.126   0.057  1.00  0.00           O  
HETATM   32  C   UNK A   0       0.959   2.710   0.367  1.00  0.00           C  
HETATM   33  C   UNK A   0       2.295   2.406   0.535  1.00  0.00           C  
HETATM   34  F   UNK A   0       3.743  -1.275   0.448  1.00  0.00           F  
HETATM   35  C   UNK A   0       5.251   1.995  -0.109  1.00  0.00           C  
HETATM   36  O   UNK A   0       7.299   3.863  -0.344  1.00  0.00           O  
HETATM   37  C   UNK A   0       9.083   2.379   0.087  1.00  0.00           C  
HETATM   38  H   UNK A   0       8.022   0.115   0.474  1.00  0.00           H  
HETATM   39  H   UNK A   0       6.312  -1.631   0.709  1.00  0.00           H  
HETATM   40  H   UNK A   0       2.483  -0.278  -1.528  1.00  0.00           H  
HETATM   41  H   UNK A   0       0.101   0.273  -1.807  1.00  0.00           H  
HETATM   42  H   UNK A   0      -1.433   3.347  -0.518  1.00  0.00           H  
HETATM   43  H   UNK A   0      -1.610   1.981  -1.645  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.764  -2.881  -2.718  1.00  0.00           H  
HETATM   45  H   UNK A   0      -2.157  -5.166  -2.045  1.00  0.00           H  
HETATM   46  H   UNK A   0      -0.809  -3.717   1.738  1.00  0.00           H  
HETATM   47  H   UNK A   0      -0.440  -0.688   1.330  1.00  0.00           H  
HETATM   48  H   UNK A   0      -2.078  -0.925   2.004  1.00  0.00           H  
HETATM   49  H   UNK A   0      -1.729   1.745   1.395  1.00  0.00           H  
ATOM     50  H   ALA A   1      -3.201   3.891   0.696  1.00  0.00           H  
ATOM     51  HA  ALA A   1      -5.794   3.063  -0.361  1.00  0.00           H  
ATOM     52  HXT ALA A   1      -6.548   6.652  -0.323  1.00  0.00           H  
ATOM     53  HB1 ALA A   1      -5.475   4.011   2.523  1.00  0.00           H  
ATOM     54  HB2 ALA A   1      -7.021   3.732   1.687  1.00  0.00           H  
ATOM     55  HB3 ALA A   1      -5.927   2.366   2.015  1.00  0.00           H  
HETATM   56  H   UNK A   0       0.526   3.546   0.895  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.908   3.006   1.191  1.00  0.00           H  
HETATM   58  H   UNK A   0       4.955   3.009  -0.335  1.00  0.00           H  
HETATM   59  H   UNK A   0       9.508   2.090  -0.874  1.00  0.00           H  
HETATM   60  H   UNK A   0       9.617   3.247   0.474  1.00  0.00           H  
HETATM   61  H   UNK A   0       9.178   1.552   0.790  1.00  0.00           H  
CONECT    1   37   36   36    3                                       
CONECT    2   14   23   22                                            
CONECT    3    1   35   35    4                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    7    7    5   34                                       
CONECT    7   35    6    6    8                                       
CONECT    8   33    7    9    9                                       
CONECT    9    8    8   10   40                                       
CONECT   10   11   11    9   41                                       
CONECT   11   32   12   10   10                                       
CONECT   12   23   11   42   43                                       
CONECT   13   14   14                                                 
CONECT   14   13   13    2   15                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   20   19                                       
CONECT   19   18                                                      
CONECT   20   21   21   18   46                                       
CONECT   21   15   22   20   20                                       
CONECT   22    2   21   47   48                                       
CONECT   23   24    2   12   49                                       
CONECT   24   25   23   31   31                                       
CONECT   25   26   24   50                                            
CONECT   26   30   27   25   51                                       
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   52                                                 
CONECT   30   26   53   54   55                                       
CONECT   31   24   24                                                 
CONECT   32   33   33   11   56                                       
CONECT   33   32   32    8   57                                       
CONECT   34    6                                                      
CONECT   35    3    3    7   58                                       
CONECT   36    1    1                                                 
CONECT   37    1   59   60   61                                       
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
