REMARK  Name = BDB045114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.291   1.249  -0.682  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.232   0.337  -0.887  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.857  -0.049  -2.308  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1        0.165  -1.406  -2.331  0.00  0.00    +0.116 C 
ATOM      5  N   LIG    1       -0.955  -1.378  -1.419  0.00  0.00    -0.261 N 
ATOM      6  C   LIG    1       -0.707  -1.109  -0.007  0.00  0.00    +0.193 C 
ATOM      7  C   LIG    1       -2.042  -0.562   0.446  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -2.889  -0.418  -0.651  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -4.183   0.068  -0.567  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.658   0.407   0.697  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.839   0.245   1.826  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.531  -0.246   1.706  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.175  -0.869  -1.841  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -2.591  -0.763  -2.979  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        0.512  -0.211   0.217  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        0.995   0.082   1.504  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        2.045   0.982   1.703  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        2.683   1.573   0.615  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        3.890   2.735  -1.654  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        2.871   1.757  -1.816  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
BRANCH   6  21
ATOM     21  O   LIG    1       -0.496  -2.388   0.558  0.00  0.00    -0.364 OA
ATOM     22  H   LIG    1       -0.834  -2.983  -0.130  0.00  0.00    +0.213 HD
ENDBRANCH   6  21
BRANCH  16  23
ATOM     23  O   LIG    1        0.423  -0.479   2.614  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        1.253  -1.518   3.139  0.00  0.00    +0.277 C 
ENDBRANCH  16  23
TORSDOF 3