REMARK  Name = BDB051842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752   0.660   0.442  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.956   1.944  -0.056  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.042   2.653   0.283  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.022   2.523  -0.910  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.134   1.821  -1.258  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.364   0.532  -0.749  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.414  -0.042   0.112  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -6.981  -0.059  -0.163  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1       -5.849  -0.835   0.336  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1       -5.415  -0.333   1.657  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.957  -0.685   1.998  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -3.023  -0.136   1.013  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -1.699   0.046   1.389  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -1.249  -0.307   2.477  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.557   0.054  -0.342  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1       -4.741  -0.888  -0.638  0.00  0.00    +0.103 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1        2.639  -0.217  -1.093  0.00  0.00    +0.090 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.817  -0.044  -0.154  0.00  0.00    +0.046 A 
ATOM     19  N   LIG    1        5.056  -0.690  -0.431  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        6.144  -0.523   0.430  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        7.226  -1.236  -0.048  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        6.815  -1.869  -1.232  0.00  0.00    +0.078 A 
ATOM     23 CL   LIG    1        7.814  -2.865  -2.179  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.050   0.291   1.615  0.00  0.00    +0.273 A 
ATOM     25  O   LIG    1        6.968   0.476   2.407  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        4.816   0.870   1.805  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1        4.731   1.439   2.639  0.00  0.00    +0.168 HD
ATOM     28  C   LIG    1        5.500  -1.528  -1.444  0.00  0.00    +0.133 A 
ATOM     29 CL   LIG    1        4.512  -2.038  -2.744  0.00  0.00    -0.062 Cl
ATOM     30  C   LIG    1        3.744   0.715   0.963  0.00  0.00    +0.108 A 
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3