REMARK  Name = BDB003233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.198  -0.240   0.730  0.00  0.00    +0.119 A 
ATOM      2  C   LIG    1        1.582  -0.085   0.990  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.097  -0.834   2.069  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1        3.461  -0.750   2.401  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        4.337   0.063   1.676  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        3.846   0.811   0.595  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        1.246  -1.666   2.806  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.089  -1.744   2.459  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        2.489   0.727   0.258  0.00  0.00    +0.060 A 
ATOM     10  N   LIG    1       -0.632  -1.055   1.442  0.00  0.00    -0.251 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.505   0.506  -0.364  0.00  0.00    +0.213 C 
ATOM     12  O   LIG    1       -0.151   1.616  -0.751  0.00  0.00    -0.285 OA
BRANCH  11  16
ATOM     13  C   LIG    1       -4.123  -1.055  -2.029  0.00  0.00    +0.163 A 
ATOM     14  C   LIG    1       -4.107   0.189  -1.365  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -2.907   0.674  -0.838  0.00  0.00    +0.062 A 
ATOM     16  C   LIG    1       -1.728  -0.075  -0.959  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -1.737  -1.294  -1.641  0.00  0.00    +0.032 A 
ATOM     18 BR   LIG    1       -0.163  -2.311  -1.962  0.00  0.00    -0.049 Br
ATOM     19  C   LIG    1       -2.936  -1.785  -2.169  0.00  0.00    +0.065 A 
BRANCH  13  21
ATOM     20  C   LIG    1       -5.413  -2.719  -3.168  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.343  -1.461  -2.513  0.00  0.00    -0.491 OA
ENDBRANCH  13  21
BRANCH  14  22
ATOM     22  O   LIG    1       -5.310   0.845  -1.284  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -5.320   2.135  -0.686  0.00  0.00    +0.277 C 
ENDBRANCH  14  22
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  24
ATOM     24  O   LIG    1        4.764   1.581  -0.075  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        4.283   2.448  -1.093  0.00  0.00    +0.277 C 
ENDBRANCH   6  24
BRANCH   5  26
ATOM     26  O   LIG    1        5.677   0.194   1.942  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.214  -0.537   3.034  0.00  0.00    +0.277 C 
ENDBRANCH   5  26
TORSDOF 6