REMARK  Name = BDB002600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.870  -1.945   0.022  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.854  -0.840   0.022  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1        1.484  -1.144  -0.066  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.528  -0.109  -0.035  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.971   1.211   0.096  0.00  0.00    +0.061 A 
ATOM      6  N   LIG    1       -0.146   2.019   0.099  0.00  0.00    -0.351 N 
ATOM      7  H   LIG    1       -0.135   3.028   0.181  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -1.274   1.258  -0.027  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1       -2.634   1.739  -0.065  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -2.928   2.928   0.019  0.00  0.00    -0.291 OA
ATOM     11  C   LIG    1       -3.683   0.654  -0.295  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -3.261  -0.710   0.276  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -1.887  -1.169  -0.243  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        2.329   1.532   0.199  0.00  0.00    +0.042 A 
ATOM     15 BR   LIG    1        2.909   3.320   0.385  0.00  0.00    -0.048 Br
ATOM     16  C   LIG    1       -0.893  -0.067  -0.105  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1        3.261   0.491   0.166  0.00  0.00    +0.020 A 
ENDROOT
TORSDOF 0