REMARK  Name = BDB055657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.367  -0.362   0.614  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1        2.525  -1.342   1.125  0.00  0.00    +0.166 A 
ATOM      3  F   LIG    1        3.034  -2.393   1.785  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        1.146  -1.270   0.959  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.552  -0.199   0.263  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.937  -0.290   0.019  0.00  0.00    +0.082 A 
ATOM      7  N   LIG    1       -1.832   0.645  -0.084  0.00  0.00    -0.241 NA
ATOM      8  C   LIG    1       -1.471   1.982  -0.098  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -0.289   2.554  -0.472  0.00  0.00    +0.153 A 
ATOM     10  N   LIG    1        0.919   2.044  -0.787  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1        1.666   2.667  -1.076  0.00  0.00    +0.167 HD
ATOM     12  N   LIG    1       -0.534   3.901  -0.477  0.00  0.00    -0.260 N 
ATOM     13  H   LIG    1        0.106   4.647  -0.715  0.00  0.00    +0.191 HD
ATOM     14  N   LIG    1       -1.777   4.240  -0.085  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.369   3.053   0.124  0.00  0.00    +0.087 A 
ATOM     16  C   LIG    1       -3.797   2.974   0.509  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1        1.383   0.842  -0.204  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.788   0.725  -0.042  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   6  19
ATOM     19  C   LIG    1       -1.518  -1.667  -0.109  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -1.174  -2.534  -1.154  0.00  0.00    +0.050 A 
ATOM     21 CL   LIG    1       -0.077  -2.092  -2.412  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -1.751  -3.806  -1.211  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.674  -4.205  -0.241  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.034  -3.333   0.785  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.462  -2.062   0.850  0.00  0.00    +0.011 A 
ENDBRANCH   6  19
BRANCH   1  27
ATOM     26  C   LIG    1        5.600   0.385   0.244  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.704  -0.551   0.827  0.00  0.00    -0.492 OA
ENDBRANCH   1  27
TORSDOF 2