REMARK  Name = BDB004487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.727   0.688   3.463  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.366   0.070   2.480  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.337   0.491   1.165  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.178  -0.532   0.261  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.493  -1.671   1.207  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.026  -2.927   0.954  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.210  -3.795   2.035  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.865  -3.406   3.343  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.330  -2.141   3.592  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.156  -1.301   2.509  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.862  -0.962  -0.788  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.134  -1.433  -0.396  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.091  -1.808  -1.343  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.790  -1.727  -2.699  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.969  -2.178  -3.867  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.539  -1.281  -3.115  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.583  -0.902  -2.167  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.718   1.825   0.737  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.149   1.919   0.267  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        3.209   1.745   1.171  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.528   1.802   0.723  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        5.945   1.542   1.947  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.812   2.039  -0.620  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.766   2.224  -1.523  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.442   2.167  -1.082  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.349  -0.042  -0.403  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.459   0.319   0.414  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.529   0.905  -0.488  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -4.411   2.001   0.084  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.356   2.348  -0.929  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.118  -0.112  -1.444  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.276   0.380  -2.108  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -4.983   1.096  -2.693  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8