REMARK  Name = BDB033823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.564   1.728  -1.667  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1       -0.195   0.886  -0.856  0.00  0.00    +0.201 A 
ATOM      3  C   LIG    1        1.228   0.791  -0.509  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.631  -0.184   0.389  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        2.981  -0.293   0.730  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1        3.918   0.579   0.171  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        3.515   1.561  -0.732  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1        0.755  -1.062   0.964  0.00  0.00    -0.446 OA
ATOM      9  C   LIG    1       -0.600  -0.980   0.656  0.00  0.00    +0.220 A 
ATOM     10  C   LIG    1        2.165   1.667  -1.074  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -1.139  -0.069  -0.186  0.00  0.00    +0.079 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -2.533   0.059  -0.489  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.580   0.093   0.406  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1       -4.715   0.229  -0.343  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.677   0.285  -0.023  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1       -4.479   0.298  -1.662  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1       -3.148   0.220  -1.750  0.00  0.00    +0.142 A 
ENDBRANCH  11  12
BRANCH   9  18
ATOM     18  C   LIG    1       -1.393  -2.059   1.344  0.00  0.00    +0.451 C 
ATOM     19  F   LIG    1       -2.007  -1.595   2.463  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -0.594  -3.085   1.748  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -2.347  -2.619   0.560  0.00  0.00    -0.163 F 
ENDBRANCH   9  18
BRANCH   6  22
ATOM     22  O   LIG    1        5.234   0.458   0.517  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1        5.756   1.127   0.048  0.00  0.00    +0.292 HD
ENDBRANCH   6  22
BRANCH   5  24
ATOM     24  O   LIG    1        3.401  -1.253   1.612  0.00  0.00    -0.501 OA
ATOM     25  H   LIG    1        2.630  -1.780   1.880  0.00  0.00    +0.292 HD
ENDBRANCH   5  24
TORSDOF 4