REMARK  Name = BDB000687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.126   0.717  -1.381  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.929   0.168  -0.661  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -3.633   0.527  -1.066  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.517   0.042  -0.378  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.711  -0.789   0.717  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -1.615  -1.296   1.434  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -0.308  -0.985   1.077  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1       -0.102  -0.097  -0.088  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1        0.639  -1.437   1.715  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1       -3.985  -1.148   1.147  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.159   0.382  -0.768  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.095  -0.662   0.457  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.259   0.318  -0.578  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.324  -0.188   0.136  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        2.115  -0.797   0.932  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.352   1.060  -1.554  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.710   0.024  -0.085  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        4.633  -0.599   0.778  0.00  0.00    +0.062 A 
ATOM     19 CL   LIG    1        4.104  -1.605   2.085  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        6.010  -0.427   0.610  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        6.489   0.372  -0.425  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.590   0.994  -1.286  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.211   0.822  -1.118  0.00  0.00    +0.025 A 
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 2