REMARK  Name = BDB009273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126   0.009   1.239  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.273   0.283   0.310  0.00  0.00    -0.015 A 
ATOM      3  C   LIG    1       -1.403  -0.448  -0.998  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.436   0.171  -1.945  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.704   0.563  -1.198  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.394   1.567  -0.087  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.167   1.207   0.704  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -1.975   1.931   1.986  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -2.764   2.788   2.369  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -0.865   1.586   2.705  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -0.715   2.070   3.585  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        0.051   0.644   2.362  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        1.542  -1.727   2.085  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        0.917  -1.062   0.853  0.00  0.00    +0.067 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.009  -0.512  -0.056  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1        2.668   0.696   0.235  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.675   1.174  -0.608  0.00  0.00    +0.053 A 
ATOM     18 BR   LIG    1        4.536   2.806  -0.196  0.00  0.00    -0.047 Br
ATOM     19  C   LIG    1        4.036   0.448  -1.739  0.00  0.00    +0.137 A 
ATOM     20  F   LIG    1        4.998   0.888  -2.562  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        3.405  -0.755  -2.035  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        2.398  -1.237  -1.196  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 2