REMARK  Name = BDB056384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.866  -4.367  -1.274  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -2.018  -3.234  -0.828  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -3.264  -2.862  -0.412  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -3.984  -3.560  -0.515  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -3.656  -1.592  -0.137  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -4.826  -1.286   0.060  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -2.552  -0.625  -0.122  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.171  -1.089  -0.418  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.078  -0.186  -0.322  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.355   1.226  -0.174  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.675   1.628   0.156  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.980   2.970   0.423  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.996   3.943   0.332  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.283   3.585  -0.078  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        0.615   2.242  -0.374  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -2.768   0.656   0.189  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -0.988  -2.342  -0.742  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.155  -0.767   0.140  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.898  -1.626  -0.687  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.090  -2.202  -0.234  0.00  0.00    +0.061 A 
ATOM     21 CL   LIG    1        3.950  -3.233  -1.322  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        3.547  -1.933   1.060  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        5.008  -2.607   1.688  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        2.810  -1.089   1.895  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        1.622  -0.511   1.440  0.00  0.00    +0.028 A 
ENDBRANCH   9  18
BRANCH  15  26
ATOM     26  C   LIG    1        1.986   2.001  -0.971  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        2.507   3.123  -1.552  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        2.911   1.621  -0.049  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        1.999   1.065  -1.957  0.00  0.00    -0.166 F 
ENDBRANCH  15  26
TORSDOF 2