REMARK  Name = BDB046958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.451  -1.429   0.909  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.338  -1.210   0.433  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -2.845   0.183   0.295  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -1.492   0.566   0.153  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.130   1.917   0.066  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.124   2.914   0.105  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.462   2.551   0.246  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.282   1.979  -0.039  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        0.780   0.693   0.008  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -0.311  -0.156   0.074  0.00  0.00    -0.338 N 
ATOM     11  C   LIG    1       -0.226  -1.607   0.025  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -1.368  -2.243  -0.747  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.810   1.209   0.345  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.590  -2.278   0.021  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.092  -3.155   0.098  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.178   0.267  -0.021  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.963   0.513  -1.155  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.299   0.109  -1.186  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.847  -0.531  -0.080  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        6.129  -0.918  -0.110  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.086  -0.773   1.057  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.749  -0.371   1.089  0.00  0.00    +0.013 A 
ENDBRANCH   9  16
TORSDOF 1