REMARK  Name = BDB004128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.088  -3.007   0.119  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.547  -1.669   0.086  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        2.188  -0.544  -0.353  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.263   0.490  -0.185  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.699   1.799  -0.498  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        2.987   2.017  -1.007  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.858   0.951  -1.191  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1        5.592   1.269  -1.877  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        0.080  -0.144   0.341  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1        3.483  -0.352  -0.863  0.00  0.00    +0.043 A 
ATOM     11  N   LIG    1        0.318  -1.448   0.566  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -1.190   0.377   0.667  0.00  0.00    -0.234 N 
ATOM     13  C   LIG    1       -1.690   1.526   0.064  0.00  0.00    +0.314 C 
ATOM     14  O   LIG    1       -1.110   2.264  -0.727  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1       -2.988   1.859   0.380  0.00  0.00    -0.236 N 
ATOM     16  H   LIG    1       -3.143   2.799   0.034  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1       -4.019   1.120  -0.131  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -4.925   1.652  -0.766  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -4.032  -0.349   0.075  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -3.159  -1.011   0.848  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1       -2.041  -0.362   1.598  0.00  0.00    +0.144 C 
ENDBRANCH   9  12
TORSDOF 1