REMARK  Name = BDB062119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.272  -0.180   0.815  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        1.936  -0.019   0.140  0.00  0.00    +0.014 C 
ATOM      3  C   LIG    1        0.780  -0.261   1.051  0.00  0.00    +0.191 C 
ATOM      4  O   LIG    1        0.953  -0.559   2.228  0.00  0.00    -0.287 OA
ATOM      5  C   LIG    1       -0.585  -0.136   0.516  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.791   0.201  -0.815  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.099   0.316  -1.311  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.190   0.093  -0.470  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.982  -0.245   0.866  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.351   0.439  -1.713  0.00  0.00    +0.201 C 
ATOM     11  O   LIG    1        0.143   0.735  -2.885  0.00  0.00    -0.286 OA
ATOM     12  C   LIG    1       -1.682  -0.360   1.360  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        1.731   0.307  -1.149  0.00  0.00    +0.072 C 
ATOM     14 BR   LIG    1        3.130   0.628  -2.366  0.00  0.00    -0.046 Br
ENDROOT
TORSDOF 0