REMARK  Name = BDB042631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.499   1.813  -0.814  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.735   1.204  -1.495  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1        6.539   2.243   0.591  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        6.058   0.899   1.073  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        4.810   0.360   0.686  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        4.422  -0.906   1.176  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        3.110  -1.471   0.770  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1        2.366  -0.704  -0.096  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        1.454  -1.082  -0.353  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        2.716   0.539  -0.563  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1        2.689  -2.548   1.174  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        5.262  -1.615   2.032  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        4.925  -2.819   2.515  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.490  -1.086   2.413  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.893   1.080  -0.214  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        6.886   0.162   1.938  0.00  0.00    +0.007 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.311   0.874   0.094  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.606  -0.414  -0.533  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1       -1.592  -0.382  -1.632  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -2.984   0.188  -1.234  0.00  0.00    +0.124 C 
ATOM     21  N   LIG    1       -3.554  -0.435  -0.014  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1       -2.582  -0.929   0.995  0.00  0.00    +0.124 C 
ATOM     23  C   LIG    1       -1.698  -1.881  -1.942  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -1.459  -2.561  -0.593  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -1.232  -1.397   0.379  0.00  0.00    +0.074 C 
BRANCH  21  26
ATOM     26  C   LIG    1       -4.812   0.001   0.432  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -5.299  -0.303   1.718  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.562   0.116   2.163  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -7.384   0.847   1.320  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -8.932   1.364   1.858  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -6.953   1.155   0.038  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -5.688   0.731  -0.395  0.00  0.00    +0.024 A 
ENDBRANCH  21  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5