REMARK  Name = BDB033066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.964   1.054  -1.346  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.338   0.915  -0.552  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.350   0.828  -1.578  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.822   0.433  -2.794  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.445   0.178  -3.812  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.671   0.296  -2.640  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.973   2.042   1.060  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.602   1.153   0.494  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.147   0.555  -0.660  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.750  -0.090  -1.159  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.869   0.668   1.096  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        4.918   0.054   0.419  0.00  0.00    +0.143 A 
ATOM     13 CL   LIG    1        4.954  -0.219  -1.282  0.00  0.00    -0.061 Cl
ATOM     14  N   LIG    1        6.058  -0.382   1.007  0.00  0.00    -0.223 NA
ATOM     15  C   LIG    1        6.166  -0.182   2.333  0.00  0.00    +0.131 A 
ATOM     16 CL   LIG    1        7.626  -0.749   3.028  0.00  0.00    -0.062 Cl
ATOM     17  C   LIG    1        5.201   0.431   3.109  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.037   0.863   2.476  0.00  0.00    +0.019 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.770   0.850  -1.282  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.251  -0.442  -0.649  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.605  -0.544   0.717  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -4.027  -1.791   1.222  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -4.100  -2.914   0.401  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.757  -2.813  -0.942  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.337  -1.590  -1.461  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -3.557   0.645   1.649  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1       -4.382   1.654   1.252  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.313   1.189   1.741  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.924   0.354   2.930  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5