REMARK  Name = BDB048503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.126  -0.385   2.564  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.059  -0.126   1.364  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1       -1.264  -0.047   0.659  0.00  0.00    +0.000 C 
ATOM      4  C   LIG    1       -2.330  -0.502   1.347  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -1.317   0.503  -0.737  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1       -0.085   0.125  -1.542  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1        1.166   0.642  -0.850  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        1.298   0.118   0.551  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1        2.468  -0.182   1.153  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.705  -0.502   0.845  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1       -4.262  -1.682   0.340  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -5.570  -1.681  -0.150  0.00  0.00    +0.060 A 
ATOM     13 BR   LIG    1       -6.279  -3.302  -0.832  0.00  0.00    -0.047 Br
ATOM     14  C   LIG    1       -6.324  -0.504  -0.132  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1       -5.774   0.673   0.374  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.465   0.673   0.862  0.00  0.00    +0.011 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -7.604  -0.503  -0.611  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -7.991   0.379  -0.496  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   4  10
BRANCH   9  19
ATOM     19  C   LIG    1        3.792  -0.010   0.549  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1        4.316   1.269   0.324  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        5.580   1.410  -0.252  0.00  0.00    +0.060 A 
ATOM     22 BR   LIG    1        6.266   3.149  -0.555  0.00  0.00    -0.047 Br
ATOM     23  C   LIG    1        6.321   0.279  -0.597  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1        5.809  -0.994  -0.369  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.545  -1.139   0.207  0.00  0.00    +0.011 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.562   0.360  -1.163  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        7.784   1.305  -1.243  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH   9  19
TORSDOF 4