REMARK  Name = BDB018652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.712   0.672   0.498  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -1.002  -0.531   0.655  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.393  -0.537   0.695  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        1.076  -1.745   0.869  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        0.564  -2.578   1.132  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.441  -1.871   0.819  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.203  -0.694   0.228  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        4.702  -0.791   0.526  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        5.360  -0.045  -0.587  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.420   0.022  -1.736  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.613   0.627   0.749  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.198  -0.780  -1.306  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        2.974  -2.927   1.150  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.115   0.655   0.599  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        0.424   1.860   0.459  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.973   1.864   0.401  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -5.983  -1.048  -1.512  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -5.278  -0.168  -0.522  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -3.874  -0.158  -0.457  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -3.184   0.682   0.438  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -3.953   1.522   1.257  0.00  0.00    +0.131 A 
ATOM     22  F   LIG    1       -3.356   2.343   2.136  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.345   1.534   1.195  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -6.008   0.693   0.304  0.00  0.00    +0.006 A 
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  C   LIG    1        6.682   0.144  -0.684  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        7.823   0.310  -0.773  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 2