REMARK  Name = BDB050784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.324  -0.920  -0.234  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.954  -0.321  -0.097  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1        1.897   0.963   0.350  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        2.730   1.477   0.598  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        0.715   1.610   0.543  0.00  0.00    +0.256 A 
ATOM      6  O   LIG    1        0.669   2.747   0.999  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.504   0.850   0.180  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.790   1.598   0.347  0.00  0.00    +0.111 C 
ATOM      9  S   LIG    1       -3.212   0.821  -0.472  0.00  0.00    -0.155 S 
ATOM     10  C   LIG    1       -2.835  -0.899  -0.049  0.00  0.00    +0.075 C 
ATOM     11  C   LIG    1       -1.486  -1.312  -0.626  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -0.326  -0.412  -0.256  0.00  0.00    +0.053 A 
ATOM     13  N   LIG    1        0.906  -1.014  -0.393  0.00  0.00    -0.239 NA
ENDROOT
TORSDOF 0