REMARK  Name = BDB046952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.626  -0.108  -0.570  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -0.476   0.756  -0.559  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.767   0.268  -0.306  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.937   1.210  -0.294  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -4.244   0.440  -0.394  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -4.194  -0.740   0.563  0.00  0.00    +0.229 C 
ATOM      7  O   LIG    1       -3.159  -1.666   0.219  0.00  0.00    -0.492 OA
ATOM      8  C   LIG    1       -1.943  -1.094  -0.044  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -0.854  -1.964  -0.080  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.427  -1.474  -0.345  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1        4.658   1.368  -1.446  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        4.322   0.913  -0.369  0.00  0.00    +0.335 C 
ATOM     13  C   LIG    1        3.010   0.316  -0.035  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1        1.957   0.433  -0.856  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1        3.127  -0.313   1.301  0.00  0.00    +0.083 C 
ATOM     16  C   LIG    1        4.301   0.450   1.864  0.00  0.00    +0.237 C 
ATOM     17  O   LIG    1        5.099   0.851   0.747  0.00  0.00    -0.461 OA
ENDBRANCH   1  14
TORSDOF 1