REMARK  Name = BDB042767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.468  -0.712  -0.957  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1        4.325  -0.443  -0.591  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1        3.306  -1.500  -0.586  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        1.990  -1.188  -0.259  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.999  -2.179  -0.236  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.323  -1.912   0.165  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1       -0.953  -2.636  -0.177  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.790  -0.548  -0.144  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1        0.190   0.503   0.449  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1        1.379  -3.503  -0.484  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.695  -3.807  -0.822  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        3.031  -5.077  -1.079  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.653   0.196   0.099  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1        2.527   1.135   0.192  0.00  0.00    -0.279 NA
ATOM     15  C   LIG    1        3.663  -2.817  -0.885  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.942   0.936  -0.119  0.00  0.00    +0.221 C 
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -0.200   1.943   0.103  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1       -0.150   2.486  -1.195  0.00  0.00    +0.045 A 
ATOM     19 CL   LIG    1        0.384   1.581  -2.569  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -0.537   3.811  -1.429  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.973   4.616  -0.378  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.018   4.101   0.912  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -0.633   2.781   1.152  0.00  0.00    +0.006 A 
ENDBRANCH   9  17
BRANCH   8  24
ATOM     24  C   LIG    1       -2.235  -0.356   0.368  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -2.457  -0.596   1.853  0.00  0.00    +0.165 C 
ATOM     26  O   LIG    1       -3.867  -0.824   2.017  0.00  0.00    -0.379 OA
ATOM     27  C   LIG    1       -4.445  -1.071   0.727  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1       -3.291  -1.264  -0.237  0.00  0.00    +0.035 C 
ENDBRANCH   8  24
TORSDOF 2