REMARK  Name = BDB002768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.017  -0.143   0.159  0.00  0.00    +0.269 A 
ATOM      2  N   LIG    1       -0.778   0.267   0.559  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.583   0.831   1.371  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        0.117  -0.236  -0.350  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -0.567  -0.918  -1.254  0.00  0.00    -0.128 NA
ATOM      6  N   LIG    1       -1.904  -0.861  -0.937  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.569  -0.043  -0.314  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        2.360  -0.623  -1.320  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.749  -0.466  -1.327  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.363   0.275  -0.322  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        6.240   0.492  -0.324  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        3.599   0.859   0.686  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        2.208   0.700   0.690  0.00  0.00    +0.012 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     14  C   LIG    1       -4.773  -0.523   0.069  0.00  0.00    +0.204 C 
ATOM     15  S   LIG    1       -3.488   0.254   1.010  0.00  0.00    +0.029 S 
ATOM     16  O   LIG    1       -3.596   1.695   0.903  0.00  0.00    -0.167 OA
ATOM     17  O   LIG    1       -3.353  -0.397   2.298  0.00  0.00    -0.167 OA
ENDBRANCH   1  15
TORSDOF 2