REMARK  Name = BDB045682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.876   1.929   0.365  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        3.126   0.822   0.300  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        1.968   0.431   1.147  0.00  0.00    +0.089 C 
ATOM      4  C   LIG    1        1.978  -1.076   0.934  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        0.587  -1.701   1.000  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1       -0.481  -1.008   0.099  0.00  0.00    -0.007 C 
ATOM      7  C   LIG    1       -0.402   0.514   0.249  0.00  0.00    -0.064 C 
ATOM      8  C   LIG    1       -1.616   1.354  -0.134  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -1.655   1.675  -1.631  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -2.929   0.727   0.353  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -3.051  -0.751   0.002  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -1.866  -1.537   0.561  0.00  0.00    +0.011 C 
ATOM     13  C   LIG    1       -0.243  -1.412  -1.373  0.00  0.00    +0.016 C 
ATOM     14  O   LIG    1        2.602  -1.324  -0.332  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1        0.700   1.125   0.730  0.00  0.00    -0.015 C 
ATOM     16  C   LIG    1        3.385  -0.264  -0.670  0.00  0.00    +0.336 C 
ATOM     17  O   LIG    1        4.159  -0.224  -1.609  0.00  0.00    -0.245 OA
ENDROOT
TORSDOF 0