REMARK  Name = BDB033830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.170   0.529  -1.800  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -0.312   0.468  -0.675  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1       -1.651  -0.103  -0.478  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.203  -0.088   0.796  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -3.473  -0.626   0.986  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1       -4.183  -1.169  -0.087  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -3.636  -1.183  -1.365  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1       -1.552   0.440   1.877  0.00  0.00    -0.443 OA
ATOM      9  C   LIG    1       -0.267   0.947   1.717  0.00  0.00    +0.254 A 
ATOM     10  C   LIG    1       -2.362  -0.646  -1.561  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.393   0.962   0.544  0.00  0.00    +0.222 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.306   1.460   3.006  0.00  0.00    +0.454 C 
ATOM     13  F   LIG    1        0.338   0.481   3.950  0.00  0.00    -0.163 F 
ATOM     14  F   LIG    1        1.573   1.935   2.914  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1       -0.447   2.469   3.517  0.00  0.00    -0.163 F 
ENDBRANCH   9  12
BRANCH   6  16
ATOM     16  O   LIG    1       -5.426  -1.679   0.170  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -5.803  -2.010  -0.664  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
BRANCH   5  18
ATOM     18  O   LIG    1       -4.045  -0.629   2.229  0.00  0.00    -0.501 OA
ATOM     19  H   LIG    1       -4.921  -1.046   2.106  0.00  0.00    +0.292 HD
ENDBRANCH   5  18
BRANCH  11  20
ATOM     20  O   LIG    1        1.667   1.504   0.435  0.00  0.00    -0.447 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.630   0.774  -0.224  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        3.419   1.405  -1.192  0.00  0.00    +0.060 A 
ATOM     23 BR   LIG    1        3.152   3.226  -1.654  0.00  0.00    -0.046 Br
ATOM     24  C   LIG    1        4.428   0.694  -1.845  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        4.660  -0.644  -1.521  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.890  -1.270  -0.540  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        2.880  -0.562   0.114  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 5