REMARK  Name = BDB008434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.926  -0.362   1.234  0.00  0.00    +0.019 C 
ATOM      2  C   LIG    1       -2.569   0.435  -0.032  0.00  0.00    +0.035 C 
ATOM      3  C   LIG    1       -1.579   1.549   0.380  0.00  0.00    +0.186 C 
ATOM      4  O   LIG    1       -1.939   2.651   0.781  0.00  0.00    -0.290 OA
ATOM      5  C   LIG    1       -0.189   1.170   0.334  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1        0.311   0.001  -0.194  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.530  -0.951  -0.850  0.00  0.00    +0.072 A 
ATOM      8  N   LIG    1       -0.156  -2.107  -1.291  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1        1.083  -2.665  -1.229  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        1.105  -3.598  -1.635  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        2.349  -2.273  -0.846  0.00  0.00    +0.273 A 
ATOM     12  C   LIG    1        2.676  -0.976  -0.233  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.005  -0.679   0.121  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        4.318   0.530   0.730  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.346   1.486   1.020  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        2.030   1.177   0.663  0.00  0.00    +0.051 A 
ATOM     17  F   LIG    1        5.592   0.784   1.057  0.00  0.00    -0.205 F 
ATOM     18  O   LIG    1        3.273  -3.074  -1.020  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1        1.690  -0.028   0.039  0.00  0.00    +0.022 A 
ATOM     20  N   LIG    1        0.866   1.896   0.821  0.00  0.00    -0.351 N 
ATOM     21  H   LIG    1        0.786   2.808   1.257  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1       -1.972  -0.512  -1.105  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -3.846   1.077  -0.596  0.00  0.00    +0.019 C 
ENDROOT
TORSDOF 0