REMARK  Name = BDB045855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.174   2.876   0.000  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.154   2.197   0.005  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        1.203   0.717  -0.006  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.000  -0.007  -0.000  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        0.050  -1.420  -0.011  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.299  -2.064  -0.027  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.485  -1.327  -0.033  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.150  -2.150  -0.004  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.385  -1.499   0.012  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.438  -0.108   0.022  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.250   0.631   0.016  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -1.306   2.110   0.027  0.00  0.00    +0.259 A 
ATOM     13  O   LIG    1       -2.371   2.715   0.041  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.440   0.064  -0.022  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -0.098   2.765   0.020  0.00  0.00    -0.289 N 
ATOM     16  H   LIG    1       -0.133   3.774   0.028  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0