REMARK  Name = BDB006705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.561   2.470   1.183  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.208   1.130   0.660  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.950   0.542   0.523  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.510   0.753   0.751  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.063  -0.553   0.282  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.970  -1.427  -0.184  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.890  -2.567  -0.610  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.173  -0.693  -0.005  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.502  -0.823  -0.194  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -4.168   0.293   0.222  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.426  -0.845   0.352  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.315  -0.024   0.953  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.664  -0.363   0.996  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.184  -1.520   0.451  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.482  -1.560   0.660  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.835  -0.420   1.343  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.287  -2.416  -0.207  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.757  -3.695  -0.853  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.747   0.295   1.540  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.670   1.601   2.230  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        1.975  -2.073  -0.244  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -0.126   1.977  -0.049  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        0.004   1.963  -1.445  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -0.212   0.835  -2.134  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        0.356   3.105  -2.160  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        0.579   4.294  -1.478  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1        1.014   5.712  -2.347  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        0.451   4.346  -0.091  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.099   3.195   0.620  0.00  0.00    +0.010 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -4.259  -1.937  -0.750  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1       -4.162  -3.190   0.119  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -3.887  -2.217  -2.205  0.00  0.00    +0.032 C 
ENDBRANCH   9  30
TORSDOF 3