REMARK  Name = BDB055891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.443  -2.695   2.552  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.648  -1.826   1.700  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.204  -0.509   1.346  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.088   0.440   0.825  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.590  -0.159  -0.287  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.194  -1.410   0.045  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.409  -2.371   0.980  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.754  -3.548   1.101  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.417  -0.633   0.424  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.634  -0.035   0.801  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -4.758  -0.116  -0.024  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.679  -0.798  -1.235  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -6.199  -0.906  -2.353  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -3.487  -1.398  -1.627  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.362  -1.315  -0.802  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.579   1.832   0.465  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.780   2.784   1.478  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.257   4.061   1.172  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.539   4.395  -0.150  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -2.188   6.121  -0.564  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.346   3.466  -1.169  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.868   2.191  -0.862  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.607  -1.204   0.627  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.607  -0.763  -0.419  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.467  -1.697  -1.013  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.383  -1.294  -1.986  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.445   0.042  -2.378  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.590   0.977  -1.798  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.674   0.577  -0.824  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4