REMARK  Name = BDB032162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.596  -0.048   0.206  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.563   0.874   0.312  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.545   1.912   0.944  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.454   0.363  -0.498  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.880  -0.808  -1.115  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.018  -1.495  -1.935  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        0.274  -1.004  -2.139  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.698   0.195  -1.521  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -1.407  -2.627  -2.532  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.185   0.887  -0.676  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.290  -1.105  -0.753  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -9.059  -0.029   0.631  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.843   0.114   0.705  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -7.167   0.901  -0.193  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.736   1.266  -0.946  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.820   0.834  -0.468  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.389   1.212  -1.555  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.948   0.257   0.660  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -5.651  -0.956   1.261  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -7.016  -0.539   1.788  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        2.102   0.703  -1.732  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.910   0.176  -0.678  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.217   0.537  -0.760  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        4.876  -0.016   0.301  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        4.272  -0.554   0.908  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        4.677   1.235  -1.650  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.238   0.082   0.632  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        7.174   0.796  -0.123  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        8.513   0.841   0.279  0.00  0.00    +0.045 A 
ATOM     30 CL   LIG    1        9.656   1.724  -0.659  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        8.935   0.181   1.427  0.00  0.00    +0.058 A 
ATOM     32  C   LIG    1        8.002  -0.525   2.170  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1        8.393  -1.167   3.279  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        6.665  -0.581   1.787  0.00  0.00    +0.061 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5