REMARK  Name = BDB006646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.255   0.932   1.582  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        3.432  -0.148   0.991  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        2.046  -0.192   0.796  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.787   0.552   0.991  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.216  -0.431   0.449  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.427  -1.615  -0.035  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.065  -2.610  -0.539  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.801  -1.398   0.216  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        2.980  -2.021   0.061  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        4.008  -1.283   0.544  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.594  -0.215   0.475  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.490  -1.072  -0.059  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.851  -0.792  -0.002  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.376   0.344   0.583  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.687   0.327   0.479  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.043  -0.826  -0.180  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.471   1.283   1.167  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -3.949   2.550   1.830  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.943  -1.493  -0.466  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.860  -2.791  -1.172  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.146   0.996   1.109  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1        0.940   1.835   0.196  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        1.254   3.028   0.873  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        1.407   4.229   0.174  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.249   4.251  -1.209  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        1.437   5.729  -2.067  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.941   3.082  -1.899  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.789   1.881  -1.202  0.00  0.00    +0.007 A 
ENDBRANCH   4  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.163  -3.359  -0.527  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        2.887  -3.638  -1.986  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        4.296  -3.673  -1.476  0.00  0.00    +0.029 C 
ENDBRANCH   9  29
TORSDOF 3