REMARK  Name = BDB042803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.607  -2.742  -1.129  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.646  -1.994  -0.999  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.676  -2.188   0.087  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.596  -1.318   0.177  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.621  -1.457   1.170  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.442  -0.558   1.283  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.201  -0.866   1.886  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.865   0.125   0.044  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.367   0.788  -0.638  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -0.804  -2.457   2.128  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -1.891  -3.328   2.038  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -2.034  -4.293   2.956  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.513  -0.211  -0.788  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -2.376  -0.045  -1.747  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -2.828  -3.212   1.020  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.402  -0.938  -1.846  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.068  -0.779  -2.597  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.782   2.090   0.060  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -0.227   3.332  -0.307  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1        0.957   3.484  -1.559  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -0.604   4.512   0.346  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.532   4.477   1.383  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.080   3.261   1.772  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.707   2.081   1.122  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        1.649  -0.855  -0.901  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1        2.332  -0.134  -2.084  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        3.562   0.655  -1.645  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        4.492  -0.189  -0.971  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        3.941  -0.799   0.193  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        2.747  -1.669  -0.180  0.00  0.00    +0.033 C 
ENDBRANCH   8  25
TORSDOF 2