REMARK  Name = BDB042752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.478  -0.296  -3.652  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.802   0.103  -2.711  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.191  -0.177  -1.322  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.388   0.312  -0.299  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.731   0.135   1.046  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.927   0.605   2.107  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -0.319  -0.171   2.410  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.045   1.719   1.714  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        0.785   1.411   0.463  0.00  0.00    +0.106 C 
ATOM     10  C   LIG    1       -2.858  -0.636   1.342  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.652  -1.140   0.312  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -4.742  -1.857   0.616  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.149   1.011  -0.664  0.00  0.00    +0.081 A 
ATOM     14  N   LIG    1        0.187   1.269  -1.895  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.338  -0.909  -1.021  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -0.653   0.842  -2.883  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.367   1.036  -3.838  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.853   0.350   0.678  0.00  0.00    +0.052 A 
ATOM     19  N   LIG    1        1.690  -0.534   1.697  0.00  0.00    -0.259 NA
ATOM     20  C   LIG    1        2.639  -1.483   1.860  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.753  -1.606   1.049  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.905  -0.704   0.005  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.946   0.286  -0.187  0.00  0.00    +0.024 A 
ENDBRANCH   9  18
TORSDOF 1