REMARK  Name = BDB006711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.584   2.368   1.318  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.217   1.058   0.732  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.951   0.495   0.559  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.512   0.718   0.784  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.075  -0.557   0.252  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.949  -1.426  -0.244  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.857  -2.543  -0.721  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.161  -0.718  -0.022  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.490  -0.860  -0.206  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.168   0.227   0.266  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.443  -0.833   0.298  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.325  -0.027   0.929  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.679  -0.347   0.946  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.211  -1.472   0.347  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.511  -1.502   0.544  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.854  -0.389   1.275  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.321  -2.351  -0.344  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.804  -3.592  -1.049  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.757   0.302   1.511  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.667   1.574   2.259  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.004  -2.025  -0.356  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.153   1.982   0.037  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.035   2.032  -1.361  0.00  0.00    +0.131 A 
ATOM     24  F   LIG    1       -0.242   0.932  -2.098  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        0.293   3.209  -2.025  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        0.504   4.362  -1.288  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        0.820   5.501  -1.916  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        0.389   4.357   0.098  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        0.060   3.172   0.760  0.00  0.00    +0.011 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -4.235  -1.958  -0.805  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1       -4.112  -3.247   0.005  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -3.872  -2.168  -2.274  0.00  0.00    +0.032 C 
ENDBRANCH   9  30
TORSDOF 3