REMARK  Name = BDB000641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.733   0.181  -0.328  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.531   0.102  -0.220  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1       -1.706  -1.196   0.002  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -2.117  -2.327   0.103  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1       -0.309  -0.758   0.065  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.842  -1.497   0.247  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.051  -0.795   0.263  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.079   0.609   0.098  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        0.890   1.336  -0.086  0.00  0.00    +0.081 A 
ATOM     10 CL   LIG    1        0.861   3.048  -0.291  0.00  0.00    -0.080 Cl
ATOM     11 CL   LIG    1        3.626   1.379   0.134  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -0.300   0.626  -0.099  0.00  0.00    +0.065 A 
ATOM     13  N   LIG    1       -1.598   1.118  -0.264  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1       -1.843   2.091  -0.400  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0