REMARK  Name = BDB053016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.280   0.392  -0.085  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.357   0.249  -1.128  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.007   0.053  -0.837  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        0.909  -0.095  -1.900  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.585  -0.054  -2.857  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.269  -0.293  -1.747  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        2.754  -0.348  -0.372  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        1.878  -0.205   0.689  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        2.668  -0.305   2.193  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        4.191  -0.539   1.448  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.098  -0.541   0.073  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        3.006  -0.414  -2.720  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.442   0.005   0.500  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -0.484   0.164   1.536  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -1.839   0.360   1.245  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     16  N   LIG    1       -4.650   0.304   0.505  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -4.449  -0.272   1.309  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.613   0.339   0.192  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -3.709   0.600  -0.441  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1       -4.039   0.990  -1.554  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
TORSDOF 1