REMARK  Name = BDB042825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.592  -0.033  -2.403  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.615   0.197  -1.701  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.174  -0.756  -0.674  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.046  -0.450   0.082  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.550  -1.344   1.038  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.437  -1.057   1.828  0.00  0.00    -0.338 N 
ATOM      7  H   LIG    1       -0.027  -1.889   2.185  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.510  -0.028   1.343  0.00  0.00    +0.101 C 
ATOM      9  C   LIG    1        0.233   1.214   0.790  0.00  0.00    +0.093 C 
ATOM     10  C   LIG    1        2.276  -2.517   1.275  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.412  -2.812   0.522  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.074  -3.953   0.755  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.376   0.841  -0.154  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        1.792   1.683  -1.055  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        3.866  -1.948  -0.462  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        2.862   1.339  -1.824  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        3.165   2.025  -2.509  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.724   2.314   0.321  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.299   3.230   1.226  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.946   3.205   2.920  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.203   4.206   0.789  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.557   4.287  -0.554  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.009   3.391  -1.464  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.107   2.415  -1.031  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1       -1.648  -0.649   0.465  0.00  0.00    +0.075 C 
ATOM     26  N   LIG    1       -2.358  -1.768   1.134  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -2.095  -1.887   2.108  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -2.164  -2.975   0.342  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -2.102  -2.448  -1.073  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -1.268  -1.188  -0.918  0.00  0.00    +0.022 C 
ENDBRANCH   8  25
TORSDOF 2