REMARK  Name = BDB045846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.291   1.910  -0.113  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.829   0.776  -0.075  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -0.376   0.544  -0.023  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        0.086  -0.765   0.019  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.452  -1.043   0.068  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.361   0.017   0.075  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.903   1.338   0.033  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.904  -1.839   0.009  0.00  0.00    +0.141 A 
ATOM      9  N   LIG    1       -2.186  -1.645  -0.036  0.00  0.00    -0.179 NA
ATOM     10  C   LIG    1        0.533   1.605  -0.016  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -2.623  -0.351  -0.077  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -3.628  -0.213  -0.112  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0