REMARK  Name = BDB042768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.309  -2.462  -2.453  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        1.074  -1.752  -1.337  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        0.198  -1.413  -0.110  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        1.054  -0.664   0.908  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.146   0.181   0.404  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.854   0.952   1.318  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.527   0.825   2.745  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.534  -0.073   3.060  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.291  -0.172   4.042  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.124   1.478   3.592  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        3.859   1.812   0.879  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.126   1.881  -0.482  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.074   2.718  -0.924  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.430   1.094  -1.400  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.453   0.195  -0.961  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.786  -0.791   2.174  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.725  -0.560  -1.892  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.258  -0.749  -2.740  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.164  -0.713  -0.395  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -2.049  -0.642   0.872  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -3.389  -0.120   0.548  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -4.243  -0.144   1.737  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -3.299   1.245   0.013  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -2.455   1.274  -1.259  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -1.065   0.683  -1.029  0.00  0.00    +0.007 C 
ENDBRANCH   3  19
TORSDOF 1