REMARK  Name = BDB062944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.904  -0.559  -0.783  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.528  -0.893  -0.834  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.431  -0.069  -0.159  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.960   0.955   0.367  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.748  -2.095  -1.625  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.641  -2.587  -2.014  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.496  -1.328  -1.963  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.997  -0.426  -0.087  0.00  0.00    +0.083 C 
ATOM      9  C   LIG    1       -3.735  -0.665  -1.442  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -4.064  -2.107  -1.032  0.00  0.00    +0.251 C 
ATOM     11  F   LIG    1       -3.495  -3.063  -1.801  0.00  0.00    -0.206 F 
ATOM     12  F   LIG    1       -5.383  -2.398  -0.987  0.00  0.00    -0.206 F 
ATOM     13  C   LIG    1       -3.404  -1.875   0.334  0.00  0.00    +0.096 C 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.683   0.740   0.857  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1       -4.224   1.927   0.316  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -4.803   2.915   1.120  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -4.846   2.746   2.498  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.556   3.958   3.490  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.309   1.603   3.076  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.732   0.620   2.264  0.00  0.00    +0.006 A 
ENDBRANCH   8  14
ENDBRANCH   3   8
BRANCH   1  22
ATOM     21  O   LIG    1        0.921  -1.820   1.282  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1        1.524  -1.024   0.548  0.00  0.00    +0.239 C 
ATOM     23  N   LIG    1        2.770  -0.656   0.946  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1        3.022  -1.085   1.830  0.00  0.00    +0.156 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.791   0.175   0.489  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        4.856   0.134   1.316  0.00  0.00    -0.229 NA
ATOM     27  C   LIG    1        5.910   0.907   0.970  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        5.928   1.704  -0.162  0.00  0.00    +0.084 A 
ATOM     29  N   LIG    1        7.151   2.318  -0.151  0.00  0.00    -0.275 N 
ATOM     30  H   LIG    1        7.520   2.980  -0.824  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1        7.928   1.974   0.895  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1        4.841   1.755  -1.023  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1        7.162   1.114   1.579  0.00  0.00    +0.162 A 
ATOM     34  C   LIG    1        3.749   0.955  -0.664  0.00  0.00    +0.046 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 4