REMARK  Name = BDB048500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.578   1.138   0.560  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -1.665   0.892  -0.126  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.532   2.046  -0.491  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.830   3.059   0.435  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -3.649   4.134   0.080  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -4.175   4.206  -1.207  0.00  0.00    +0.018 A 
ATOM      7 BR   LIG    1       -5.285   5.659  -1.689  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -3.889   3.215  -2.143  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.070   2.140  -1.785  0.00  0.00    +0.009 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1       -1.945  -0.525  -0.500  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -0.911  -1.416  -0.837  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.190  -2.743  -1.181  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -2.507  -3.191  -1.191  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1       -2.890  -4.983  -1.657  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -3.548  -2.328  -0.858  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -3.266  -1.002  -0.513  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     17  C   LIG    1        0.725   1.372   1.346  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.871   1.530   2.008  0.00  0.00    -0.472 OA
BRANCH  18  22
ATOM     19  C   LIG    1        4.673  -1.424   1.147  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        3.393  -1.803   1.554  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.437  -0.830   1.849  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        2.763   0.526   1.720  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.051   0.905   1.339  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.004  -0.073   1.045  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.643  -2.421   0.836  0.00  0.00    +0.139 C 
BRANCH  25  27
ATOM     26  O   LIG    1        7.833  -3.090   0.171  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        6.685  -3.510   0.494  0.00  0.00    +0.369 C 
ATOM     28  O   LIG    1        6.277  -4.704   0.572  0.00  0.00    -0.245 OA
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7