REMARK  Name = BDB000630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.709   0.220  -0.181  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.504   0.134  -0.122  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.674  -1.177  -0.034  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.086  -2.313  -0.011  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.275  -0.745   0.015  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.273   0.647  -0.037  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -0.919   1.345  -0.007  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.111   0.616   0.076  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -2.092  -0.794   0.127  0.00  0.00    +0.002 A 
ATOM     10 CL   LIG    1       -0.956   3.061  -0.069  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -0.883  -1.493   0.097  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        1.573   1.152  -0.116  0.00  0.00    -0.277 N 
ATOM     13  H   LIG    1        1.817   2.132  -0.164  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0