COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   VAL A   1      -0.310   3.574  -2.510  1.00  0.00           O  
ATOM      2  C   VAL A   1      -0.987   2.651  -1.654  1.00  0.00           C  
ATOM      3  CA  VAL A   1      -0.430   2.769  -0.234  1.00  0.00           C  
ATOM      4  CB  VAL A   1      -0.548   4.218   0.241  1.00  0.00           C  
ATOM      5  CG1 VAL A   1      -2.025   4.611   0.315  1.00  0.00           C  
ATOM      6  CG2 VAL A   1       0.086   4.353   1.627  1.00  0.00           C  
ATOM      7  N   VAL A   1       0.979   2.366  -0.228  1.00  0.00           N  
HETATM    8  C   UNK A   0       1.316   1.028  -0.107  1.00  0.00           C  
HETATM    9  N   UNK A   0       2.596   0.689  -0.109  1.00  0.00           N  
HETATM   10  C   UNK A   0       2.958  -0.584   0.011  1.00  0.00           C  
HETATM   11  C   UNK A   0       1.964  -1.570   0.128  1.00  0.00           C  
HETATM   12  N   UNK A   0       2.597  -2.765   0.229  1.00  0.00           N  
HETATM   13  C   UNK A   0       3.884  -2.579   0.182  1.00  0.00           C  
HETATM   14  N   UNK A   0       4.157  -1.249   0.048  1.00  0.00           N  
HETATM   15  C   UNK A   0       5.488  -0.642  -0.042  1.00  0.00           C  
HETATM   16  C   UNK A   0       6.281  -0.964   1.227  1.00  0.00           C  
HETATM   17  C   UNK A   0       6.224  -1.204  -1.260  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.619  -1.165   0.120  1.00  0.00           C  
HETATM   19  N   UNK A   0       0.346   0.130   0.002  1.00  0.00           N  
HETATM   20  N   UNK A   0      -0.401  -2.095   0.232  1.00  0.00           N  
HETATM   21  C   UNK A   0      -1.728  -1.668   0.331  1.00  0.00           C  
HETATM   22  C   UNK A   0      -2.029  -0.479   0.980  1.00  0.00           C  
HETATM   23  C   UNK A   0      -3.348  -0.058   1.076  1.00  0.00           C  
HETATM   24  N   UNK A   0      -3.655   1.138   1.728  1.00  0.00           N  
HETATM   25  C   UNK A   0      -4.364  -0.828   0.522  1.00  0.00           C  
HETATM   26  C   UNK A   0      -4.061  -2.013  -0.123  1.00  0.00           C  
HETATM   27 CL   UNK A   0      -5.333  -2.972  -0.814  1.00  0.00          Cl  
HETATM   28  C   UNK A   0      -2.747  -2.431  -0.226  1.00  0.00           C  
ATOM     29  H   VAL A   1      -0.691   3.468  -3.393  1.00  0.00           H  
ATOM     30  H1  VAL A   1      -0.834   1.636  -2.022  1.00  0.00           H  
ATOM     31  H2  VAL A   1      -2.053   2.878  -1.646  1.00  0.00           H  
ATOM     32  HA  VAL A   1      -0.996   2.120   0.433  1.00  0.00           H  
ATOM     33  HB  VAL A   1      -0.032   4.874  -0.460  1.00  0.00           H  
ATOM     34 HG11 VAL A   1      -2.561   3.893   0.935  1.00  0.00           H  
ATOM     35 HG12 VAL A   1      -2.114   5.606   0.752  1.00  0.00           H  
ATOM     36 HG13 VAL A   1      -2.450   4.615  -0.688  1.00  0.00           H  
ATOM     37 HG21 VAL A   1      -0.430   3.697   2.328  1.00  0.00           H  
ATOM     38 HG22 VAL A   1       1.138   4.073   1.575  1.00  0.00           H  
ATOM     39 HG23 VAL A   1       0.001   5.386   1.967  1.00  0.00           H  
ATOM     40  H   VAL A   1       1.675   3.037  -0.308  1.00  0.00           H  
HETATM   41  H   UNK A   0       4.626  -3.361   0.241  1.00  0.00           H  
HETATM   42  H   UNK A   0       5.388   0.438  -0.144  1.00  0.00           H  
HETATM   43  H   UNK A   0       7.271  -0.512   1.160  1.00  0.00           H  
HETATM   44  H   UNK A   0       5.757  -0.563   2.094  1.00  0.00           H  
HETATM   45  H   UNK A   0       6.381  -2.044   1.329  1.00  0.00           H  
HETATM   46  H   UNK A   0       5.659  -0.975  -2.163  1.00  0.00           H  
HETATM   47  H   UNK A   0       7.214  -0.753  -1.326  1.00  0.00           H  
HETATM   48  H   UNK A   0       6.323  -2.285  -1.157  1.00  0.00           H  
HETATM   49  H   UNK A   0      -0.194  -3.042   0.242  1.00  0.00           H  
HETATM   50  H   UNK A   0      -1.239   0.118   1.410  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.945   1.676   2.114  1.00  0.00           H  
HETATM   52  H   UNK A   0      -4.577   1.432   1.795  1.00  0.00           H  
HETATM   53  H   UNK A   0      -5.391  -0.501   0.597  1.00  0.00           H  
HETATM   54  H   UNK A   0      -2.514  -3.357  -0.731  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    7   32                                       
CONECT    4    3    5    6   33                                       
CONECT    5    4   34   35   36                                       
CONECT    6    4   37   38   39                                       
CONECT    7    3    8   40                                            
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   18                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   41                                       
CONECT   14   10   13   15                                            
CONECT   15   14   16   17   42                                       
CONECT   16   15   43   44   45                                       
CONECT   17   15   46   47   48                                       
CONECT   18   11   19   19   20                                       
CONECT   19    8   18   18                                            
CONECT   20   18   21   49                                            
CONECT   21   20   22   28   28                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   51   52                                            
CONECT   25   23   26   26   53                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26                                                      
CONECT   28   21   21   26   54                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
