REMARK  Name = BDB006163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.955   0.506  -0.331  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -2.178   1.760   0.443  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.999   2.240   1.070  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.805   3.291   1.658  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.009   1.223   0.782  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.262   1.026   1.101  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        1.560  -0.147   0.479  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        0.483  -0.699  -0.211  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.534   0.212  -0.014  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.392  -1.341  -2.251  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.431  -1.549  -0.760  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.773  -0.684   0.149  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -2.895  -0.948   1.534  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.640  -2.029   2.007  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.282  -2.866   1.105  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -5.204  -4.199   1.680  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.185  -2.630  -0.264  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -3.440   2.417   0.490  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.836   3.188   1.597  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.078   3.226   2.703  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.077   3.832   1.618  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.562   4.759   2.987  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.951   3.710   0.541  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.589   2.928  -0.552  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.348   2.281  -0.573  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        0.446  -2.006  -0.955  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        0.414  -3.205  -0.008  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        1.526  -2.146  -2.022  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        2.911  -0.661   0.651  0.00  0.00    +0.147 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.936  -0.058  -0.332  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1        4.200   1.434  -0.036  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        5.569   1.879  -0.534  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        6.696   1.118   0.166  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1        6.300  -0.298   0.587  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1        5.240  -0.885  -0.337  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 5