REMARK  Name = BDB006169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.915  -0.674  -0.167  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -2.059  -1.563   1.020  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.813  -1.964   1.567  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.575  -2.783   2.439  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.163  -1.235   0.784  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.484  -1.128   0.786  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        1.729  -0.250  -0.227  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        0.573   0.158  -0.893  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.443  -0.481  -0.212  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.585   0.608  -2.340  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.310   1.299  -1.030  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.538   0.704  -0.001  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.358   1.424   1.203  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.920   2.688   1.388  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.677   3.256   0.373  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.376   4.812   0.594  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.876   2.571  -0.823  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.326  -1.996   1.503  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.541  -2.302   2.858  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.578  -2.075   3.765  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.791  -2.735   3.309  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.050  -3.089   4.976  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.855  -2.859   2.420  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.671  -2.534   1.079  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.420  -2.099   0.627  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   7  26
ATOM     26  C   LIG    1        3.121   0.130  -0.467  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1        4.033  -1.089  -0.699  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1        4.872  -1.399   0.538  0.00  0.00    +0.086 C 
ATOM     29  N   LIG    1        5.721  -0.275   0.957  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        7.094  -0.402   0.478  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        5.169   1.049   0.651  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1        3.644   1.050   0.648  0.00  0.00    +0.042 C 
ENDBRANCH   7  26
BRANCH   8  33
ATOM     33  C   LIG    1        0.475   1.089  -2.069  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        1.095   0.506  -3.338  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        0.973   2.500  -1.764  0.00  0.00    +0.014 C 
ENDBRANCH   8  33
TORSDOF 4