REMARK  Name = BDB023672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.518  -0.244  -1.717  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.169  -0.539  -1.705  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.566  -1.497  -0.884  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1        1.752  -1.880  -1.765  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        2.085  -0.579  -2.494  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.715   0.077  -2.687  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.931   0.620  -2.496  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.096  -0.825   0.390  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.218   0.547   0.501  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        0.327   1.032   0.352  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        1.887   0.832   1.782  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        1.048   1.745   2.669  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        1.932  -0.612   2.367  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        2.263  -0.906   3.508  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        1.502  -1.524   1.414  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        3.258   1.448   1.493  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        4.419   1.051   2.179  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        5.656   1.643   1.903  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.748   2.649   0.946  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        7.421   3.445   0.575  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.612   3.075   0.264  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.378   2.480   0.539  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        2.731  -0.870  -3.724  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        2.951  -0.022  -4.148  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.500  -1.140  -0.886  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.984  -0.748   2.843  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -1.931  -0.326   1.399  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -2.113  -1.360   0.514  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -2.369  -2.258   0.907  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -1.671   0.822   1.053  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -4.035  -0.818  -1.049  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -4.875  -1.824  -0.222  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.416   0.600  -0.587  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.472  -0.998  -2.522  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 6