REMARK  Name = BDB047353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.612  -3.714  -1.408  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.807  -3.335  -0.983  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -0.759  -2.114  -0.248  0.00  0.00    -0.492 OA
BRANCH   3   9
ATOM      4  C   LIG    1       -4.655   1.988   1.321  0.00  0.00    +0.285 C 
ATOM      5  O   LIG    1       -5.270   0.677   1.153  0.00  0.00    -0.477 OA
ATOM      6  C   LIG    1       -4.231  -0.124   0.763  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -2.989   0.468   0.900  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.837  -0.220   0.564  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -1.952  -1.523   0.064  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -3.219  -2.118  -0.061  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.375  -1.413   0.296  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -3.141   1.824   1.472  0.00  0.00    +0.095 C 
BRANCH   4  14
ATOM     13  O   LIG    1       -4.877   3.744   2.985  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -5.252   2.667   2.543  0.00  0.00    +0.346 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -6.263   1.959   3.106  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.393   1.119   2.612  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   4  14
ENDBRANCH   3   9
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.106  -2.924  -2.624  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.014  -1.513  -2.463  0.00  0.00    -0.490 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.982  -0.836  -1.774  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        1.785   0.545  -1.606  0.00  0.00    +0.086 A 
ATOM     21 CL   LIG    1        0.384   1.339  -2.247  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        2.714   1.334  -0.913  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        3.858   0.749  -0.379  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1        4.061  -0.622  -0.545  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.134  -1.411  -1.237  0.00  0.00    +0.051 A 
BRANCH  23  26
ATOM     26  O   LIG    1        4.845   1.390   0.316  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.693   2.799   0.525  0.00  0.00    +0.342 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.873   3.350   1.311  0.00  0.00    +0.424 C 
ATOM     29  F   LIG    1        5.725   4.683   1.505  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1        5.979   2.776   2.529  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        7.042   3.168   0.658  0.00  0.00    -0.167 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11