REMARK  Name = BDB052669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.227   2.034  -0.663  0.00  0.00    -0.069 NA
ATOM      2  C   LIG    1       -1.411   1.031  -0.715  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.469  -0.331  -0.173  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.287  -0.969  -0.571  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.035  -2.283  -0.217  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.991  -2.955   0.551  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -2.172  -2.306   0.946  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1       -3.443  -3.246   1.985  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1        0.521  -0.107  -1.328  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1       -2.426  -0.981   0.587  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.073   1.135  -1.460  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1        0.346   2.122  -2.025  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -3.393   1.752   0.061  0.00  0.00    -0.317 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.457   2.504   0.858  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1       -4.231   2.843   0.064  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1       -4.051   3.925  -0.478  0.00  0.00    -0.249 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        1.827  -0.421  -1.860  0.00  0.00    +0.149 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.917  -0.360  -0.813  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1        3.211   0.847  -0.157  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.216   0.909   0.816  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        4.504   2.430   1.581  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        4.944  -0.240   1.137  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        6.196  -0.246   2.327  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.667  -1.442   0.480  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        3.663  -1.502  -0.490  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4