REMARK  Name = BDB000638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.712   0.197  -0.231  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.507   0.123  -0.155  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.667  -1.174  -0.017  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        2.098  -2.302   0.035  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.267  -0.731   0.035  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.285   0.662  -0.062  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -0.889   1.395  -0.044  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.097   0.703   0.074  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.109  -0.703   0.172  0.00  0.00    +0.022 A 
ATOM     10 CL   LIG    1       -0.881   3.107  -0.162  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -0.915  -1.434   0.152  0.00  0.00    +0.054 A 
ATOM     12 CL   LIG    1       -0.978  -3.143   0.274  0.00  0.00    -0.083 Cl
ATOM     13  N   LIG    1        1.589   1.149  -0.172  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        1.847   2.124  -0.254  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0