REMARK  Name = BDB001018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.097  -2.658   1.827  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.552  -1.753   1.204  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -2.341  -0.705   0.484  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.668   0.317  -0.218  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -2.417   1.290  -0.887  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.814   1.244  -0.855  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.473   0.230  -0.158  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.209   0.310  -0.213  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        0.722   1.283  -0.882  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        2.059   0.709  -0.487  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1        1.873  -0.442   0.304  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.955  -1.151   0.791  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.228  -0.685   0.471  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1        5.299  -1.348   0.927  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        4.421   0.460  -0.315  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.325   1.173  -0.806  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        0.445  -0.654   0.449  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -3.739  -0.747   0.513  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1       -0.177  -1.647   1.132  0.00  0.00    -0.321 N 
ATOM     20  H   LIG    1        0.354  -2.356   1.620  0.00  0.00    +0.169 HD
ENDROOT
TORSDOF 0