REMARK  Name = BDB033828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.237   1.387  -1.556  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -0.343   0.836  -0.630  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1       -1.651   0.200  -0.840  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.325  -0.319   0.260  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -3.569  -0.918   0.073  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1       -4.125  -0.996  -1.202  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -3.457  -0.480  -2.304  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1       -1.826  -0.264   1.533  0.00  0.00    -0.443 OA
ATOM      9  C   LIG    1       -0.560   0.280   1.738  0.00  0.00    +0.254 A 
ATOM     10  C   LIG    1       -2.211   0.125  -2.124  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.208   0.783   0.755  0.00  0.00    +0.222 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.142   0.227   3.178  0.00  0.00    +0.454 C 
ATOM     13  F   LIG    1       -0.044  -1.061   3.603  0.00  0.00    -0.163 F 
ATOM     14  F   LIG    1        1.045   0.817   3.455  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1       -1.067   0.824   3.976  0.00  0.00    -0.163 F 
ENDBRANCH   9  12
BRANCH   6  16
ATOM     16  O   LIG    1       -5.343  -1.585  -1.382  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -5.625  -1.868  -0.489  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
BRANCH   5  18
ATOM     18  O   LIG    1       -4.288  -1.446   1.113  0.00  0.00    -0.501 OA
ATOM     19  H   LIG    1       -3.775  -1.297   1.929  0.00  0.00    +0.292 HD
ENDBRANCH   5  18
BRANCH  11  20
ATOM     20  O   LIG    1        1.458   1.329   1.009  0.00  0.00    -0.448 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.530   0.837   0.301  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        3.453   1.770  -0.175  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.582   1.341  -0.873  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        4.790  -0.023  -1.078  0.00  0.00    +0.018 A 
ATOM     25 BR   LIG    1        6.320  -0.607  -2.022  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        3.881  -0.960  -0.587  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        2.749  -0.531   0.112  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 5