COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -3.763   1.517   0.254  1.00  0.00           C  
ATOM      2  N   VAL A   1       2.490  -0.500   0.286  1.00  0.00           N  
HETATM    3  S   UNK A   0      -1.032   1.404   0.383  1.00  0.00           S  
HETATM    4  C   UNK A   0      -2.638   0.705   0.192  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.781  -0.661  -0.021  1.00  0.00           C  
HETATM    6  C   UNK A   0      -4.041  -1.207  -0.170  1.00  0.00           C  
HETATM    7  C   UNK A   0      -5.160  -0.394  -0.108  1.00  0.00           C  
HETATM    8  C   UNK A   0      -5.020   0.966   0.103  1.00  0.00           C  
HETATM    9  C   UNK A   0       0.062  -0.035   0.226  1.00  0.00           C  
HETATM   10  C   UNK A   0       1.495   0.406   0.369  1.00  0.00           C  
ATOM     11  CA  VAL A   1       3.884  -0.071   0.426  1.00  0.00           C  
ATOM     12  C   VAL A   1       4.400   0.403  -0.909  1.00  0.00           C  
ATOM     13  CB  VAL A   1       4.733  -1.248   0.912  1.00  0.00           C  
ATOM     14  CG2 VAL A   1       4.751  -2.341  -0.159  1.00  0.00           C  
ATOM     15  CG1 VAL A   1       6.162  -0.770   1.177  1.00  0.00           C  
HETATM   16  O   UNK A   0       1.754   1.576   0.559  1.00  0.00           O  
HETATM   17 CL   UNK A   0      -6.742  -1.084  -0.297  1.00  0.00          Cl  
ATOM     18  OXT VAL A   1       5.662   0.845  -1.022  1.00  0.00           O  
ATOM     19  O   VAL A   1       3.677   0.385  -1.877  1.00  0.00           O  
HETATM   20  H   UNK A   0      -3.655   2.578   0.423  1.00  0.00           H  
ATOM     21  H   VAL A   1       2.283  -1.435   0.134  1.00  0.00           H  
HETATM   22  H   UNK A   0      -1.908  -1.295  -0.070  1.00  0.00           H  
HETATM   23  H   UNK A   0      -4.153  -2.268  -0.336  1.00  0.00           H  
HETATM   24  H   UNK A   0      -5.895   1.597   0.156  1.00  0.00           H  
HETATM   25  H   UNK A   0      -0.176  -0.759   1.005  1.00  0.00           H  
HETATM   26  H   UNK A   0      -0.081  -0.494  -0.752  1.00  0.00           H  
ATOM     27  HA  VAL A   1       3.944   0.743   1.148  1.00  0.00           H  
ATOM     28  HB  VAL A   1       4.307  -1.647   1.832  1.00  0.00           H  
ATOM     29 HG21 VAL A   1       5.356  -3.179   0.187  1.00  0.00           H  
ATOM     30 HG22 VAL A   1       3.733  -2.681  -0.348  1.00  0.00           H  
ATOM     31 HG23 VAL A   1       5.177  -1.941  -1.079  1.00  0.00           H  
ATOM     32 HG11 VAL A   1       6.150   0.008   1.939  1.00  0.00           H  
ATOM     33 HG12 VAL A   1       6.767  -1.608   1.523  1.00  0.00           H  
ATOM     34 HG13 VAL A   1       6.588  -0.370   0.256  1.00  0.00           H  
ATOM     35  HXT VAL A   1       5.948   1.139  -1.898  1.00  0.00           H  
CONECT    1    4    8    8   20                                       
CONECT    2   11   10   21                                            
CONECT    3    9    4                                                 
CONECT    4    3    5    5    1                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    7    7   23                                       
CONECT    7    6    6    8   17                                       
CONECT    8    1    1    7   24                                       
CONECT    9    3   10   25   26                                       
CONECT   10    2    9   16   16                                       
CONECT   11   12    2   13   27                                       
CONECT   12   19   19   18   11                                       
CONECT   13   15   11   14   28                                       
CONECT   14   13   29   30   31                                       
CONECT   15   13   32   33   34                                       
CONECT   16   10   10                                                 
CONECT   17    7                                                      
CONECT   18   12   35                                                 
CONECT   19   12   12                                                 
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
