REMARK  Name = BDB061875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.917   0.953  -0.667  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.232   0.301   0.541  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.217  -0.318   1.279  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.885  -0.298   0.828  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.572   0.349  -0.376  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.243   0.363  -0.806  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.760  -0.261  -0.052  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -2.180  -0.226  -0.445  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.196   0.175   0.480  0.00  0.00    -0.035 A 
ATOM     10  C   LIG    1       -4.546   0.209   0.092  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -4.860  -0.149  -1.200  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -6.107  -0.175  -1.737  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -5.819  -0.605  -3.085  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.412  -0.849  -3.311  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.896  -0.533  -2.095  0.00  0.00    +0.167 A 
ATOM     16  C   LIG    1       -2.825   0.555   1.894  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -2.315  -0.641   2.698  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -1.452  -1.619   1.911  0.00  0.00    +0.122 C 
ATOM     19  C   LIG    1       -2.560  -0.582  -1.755  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1       -0.430  -0.892   1.112  0.00  0.00    -0.346 N 
ATOM     21  C   LIG    1        0.854  -0.909   1.546  0.00  0.00    +0.094 A 
ATOM     22  C   LIG    1        2.592   0.972  -1.115  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        4.709   2.207  -2.550  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.968   1.534  -1.326  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        5.552   0.329   0.908  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.937  -0.317   2.113  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2