REMARK  Name = BDB000621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.737  -0.193   0.348  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.533  -0.131   0.236  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.685   1.159   0.049  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.078   2.299  -0.015  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.298   0.696  -0.034  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.323  -0.693   0.089  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.839  -1.434   0.050  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.042  -0.735  -0.117  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -2.051   0.670  -0.240  0.00  0.00    +0.019 A 
ATOM     10 BR   LIG    1       -3.701   1.567  -0.465  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -0.870   1.411  -0.200  0.00  0.00    +0.029 A 
ATOM     12  N   LIG    1        1.621  -1.169   0.245  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        1.895  -2.134   0.353  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0