REMARK  Name = BDB000585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.697  -0.769  -0.372  0.00  0.00    -0.262 OA
ATOM      2  C   LIG    1       -2.564  -0.323  -0.256  0.00  0.00    +0.314 A 
ATOM      3  C   LIG    1       -2.292   1.201  -0.208  0.00  0.00    +0.314 A 
ATOM      4  O   LIG    1       -3.201   2.017  -0.286  0.00  0.00    -0.262 OA
ATOM      5  N   LIG    1       -0.978   1.594  -0.074  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1       -0.823   2.594  -0.046  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        0.087   0.695   0.018  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -0.158  -0.682  -0.025  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        0.897  -1.587   0.067  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.206  -1.111   0.201  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1        2.452   0.268   0.244  0.00  0.00    +0.061 A 
ATOM     12 CL   LIG    1        4.044   0.919   0.408  0.00  0.00    -0.082 Cl
ATOM     13 CL   LIG    1        3.475  -2.280   0.310  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        1.389   1.173   0.152  0.00  0.00    +0.049 A 
ATOM     15  N   LIG    1       -1.467  -1.152  -0.159  0.00  0.00    -0.316 N 
ATOM     16  H   LIG    1       -1.667  -2.143  -0.192  0.00  0.00    +0.169 HD
ENDROOT
TORSDOF 0