REMARK  Name = BDB055896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.803  -0.670   0.266  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1        0.623  -0.729  -0.450  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1       -0.627  -0.312   0.202  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -1.803  -1.198  -0.319  0.00  0.00    +0.128 C 
ATOM      5  N   LIG    1       -1.859  -1.272  -1.771  0.00  0.00    -0.305 N 
ATOM      6  H   LIG    1       -2.671  -1.695  -2.204  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.718  -1.381  -2.525  0.00  0.00    +0.231 C 
ATOM      8  O   LIG    1       -0.799  -1.748  -3.695  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        0.609  -0.918  -1.902  0.00  0.00    +0.207 C 
ATOM     10  O   LIG    1        1.851  -0.459   1.471  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.797   1.207   0.116  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -1.234   1.869  -1.043  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -1.358   3.262  -1.072  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.035   4.011   0.055  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -1.202   5.893   0.013  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -0.583   3.382   1.210  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1       -0.461   1.990   1.237  0.00  0.00    +0.006 A 
ENDBRANCH   3  11
BRANCH   4  18
ATOM     18  C   LIG    1       -3.149  -0.878   0.309  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1       -3.457  -1.397   1.579  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -4.676  -1.105   2.196  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -5.599  -0.287   1.550  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1       -7.247   0.111   2.385  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -5.313   0.242   0.295  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -4.094  -0.052  -0.322  0.00  0.00    +0.006 A 
ENDBRANCH   4  18
BRANCH   1  25
ATOM     25  O   LIG    1        2.887  -0.879  -0.523  0.00  0.00    -0.445 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.561   0.549   0.586  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.231  -0.837   0.022  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        4.447  -1.946   1.058  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        5.146  -1.107  -1.183  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 4