REMARK  Name = BDB047633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.228   1.151  -0.225  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        1.868   0.454  -0.234  0.00  0.00    +0.057 C 
ATOM      3  S   LIG    1        0.767   1.367   0.877  0.00  0.00    -0.120 S 
ATOM      4  C   LIG    1       -0.833   0.683   0.481  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.162  -0.550  -0.108  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.526  -0.828  -0.359  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.544   0.063  -0.020  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.221   1.265   0.582  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -0.310  -1.601  -0.503  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -0.766  -2.386  -0.957  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        1.010  -1.873  -0.395  0.00  0.00    +0.218 C 
ATOM     12  O   LIG    1        1.405  -2.949  -0.859  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.882   1.567   0.827  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        1.976  -0.962   0.292  0.00  0.00    +0.110 C 
ENDROOT
TORSDOF 0