REMARK  Name = BDB051808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.922   1.809  -1.098  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.123   2.739  -0.084  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.098   3.422   0.445  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.405   2.983   0.398  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.498   2.306  -0.149  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.322   1.389  -1.196  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        2.020   1.150  -1.668  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.698   0.202   0.906  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -2.268  -0.372   0.996  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -1.238   0.674   0.584  0.00  0.00    +0.109 C 
ATOM     11  N   LIG    1       -1.443   1.125  -0.794  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -0.421   1.543  -1.645  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.565   1.670  -2.861  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.776   0.949  -1.363  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -3.871   1.127  -0.319  0.00  0.00    +0.038 C 
BRANCH   8  16
ATOM     16  N   LIG    1       -4.667  -0.905   1.061  0.00  0.00    -0.300 NA
BRANCH  16  18
ATOM     17  C   LIG    1       -5.602  -3.013   0.100  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.954  -1.658  -0.166  0.00  0.00    +0.081 C 
ENDBRANCH  16  18
BRANCH  16  19
ATOM     19  C   LIG    1       -5.850  -0.541   1.854  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1       -6.825   0.440   1.215  0.00  0.00    +0.020 C 
ENDBRANCH  16  19
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1        4.497   0.649  -1.808  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.968  -0.513  -0.963  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1        6.083  -0.459  -0.085  0.00  0.00    -0.296 N 
ATOM     24  C   LIG    1        6.394  -1.573   0.704  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        7.468  -1.280   1.519  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        7.876   0.026   1.212  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1        9.191   0.814   1.946  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        5.644  -2.801   0.613  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1        5.873  -3.809   1.274  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        4.615  -2.770  -0.301  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1        4.078  -3.627  -0.375  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1        7.044   0.494   0.221  0.00  0.00    +0.133 A 
ATOM     33 CL   LIG    1        7.177   2.000  -0.575  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1        4.281  -1.673  -1.053  0.00  0.00    +0.108 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6