REMARK  Name = BDB000553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121  -0.615  -1.508  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        0.360  -0.249  -2.653  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.173  -0.313  -0.842  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -2.128   0.429  -1.550  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.352   0.752  -0.959  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.644   0.335   0.347  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1       -2.683  -0.403   1.052  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.456  -0.727   0.464  0.00  0.00    +0.012 A 
BRANCH   6   9
ATOM      9  C   LIG    1       -4.953   0.691   0.987  0.00  0.00    +0.115 C 
ATOM     10 BR   LIG    1       -4.770   2.382   1.927  0.00  0.00    -0.087 Br
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  12
ATOM     11  O   LIG    1        0.989  -2.530  -0.450  0.00  0.00    -0.283 OA
ATOM     12  C   LIG    1        1.196  -1.360  -0.753  0.00  0.00    +0.233 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.446  -0.657  -0.364  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        3.404  -1.364   0.377  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.585  -0.739   0.779  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.817   0.594   0.444  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.870   1.302  -0.295  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.685   0.681  -0.699  0.00  0.00    +0.012 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4