REMARK  Name = BDB009049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.766   0.798   0.673  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.669   0.248   1.353  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.433   1.039   1.719  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.406   2.408   1.429  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.681   2.962   0.756  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.761   2.160   0.377  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.207   1.275  -0.967  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.956   0.223  -0.394  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        2.826  -0.076   0.345  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.702  -1.036   0.636  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.936  -0.890  -0.524  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        5.175  -1.788   0.522  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        6.111  -2.804   0.348  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1        6.334  -3.664   1.350  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.816  -2.941  -0.839  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        6.584  -2.034  -1.864  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1        7.263  -2.151  -3.012  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        5.657  -1.008  -1.719  0.00  0.00    +0.051 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.600   0.425   2.458  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.964   0.816   1.895  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.410   0.266   0.576  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.552  -0.702  -0.191  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.305  -1.415  -1.319  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.168  -0.437  -2.106  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.189   0.249  -1.196  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.608   0.677   0.124  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.432   1.607   0.937  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.536   1.988   0.563  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.887   2.004   2.127  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.433   2.641   2.697  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.674   1.633   2.616  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4