REMARK  Name = BDB001128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.241  -0.972  -0.060  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.851  -0.406  -0.031  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1       -1.749   0.953  -0.001  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -2.571   1.540   0.002  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -0.552   1.627   0.028  0.00  0.00    +0.261 A 
ATOM      6  O   LIG    1       -0.549   2.850   0.055  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        0.667   0.784   0.025  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.454  -0.605  -0.007  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        1.552  -1.472  -0.013  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        2.852  -0.974   0.013  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.061   0.402   0.046  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        1.975   1.287   0.051  0.00  0.00    +0.055 A 
ATOM     13 CL   LIG    1        2.367   2.969   0.092  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -0.825  -1.188  -0.035  0.00  0.00    -0.234 NA
ENDROOT
TORSDOF 0