REMARK  Name = BDB042732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.376   1.151  -0.725  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -0.450   0.140   0.452  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.788  -0.767   0.436  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        2.032  -0.207  -0.115  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.188  -0.978  -0.050  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        3.102  -2.330   0.518  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        1.862  -2.719   0.962  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        1.782  -3.643   1.377  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        4.088  -3.056   0.577  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.402  -0.469  -0.510  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        4.432   0.822  -1.017  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.593   1.335  -1.443  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.275   1.598  -1.090  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        2.045   1.076  -0.675  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        0.730  -1.961   0.954  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1        0.902   1.886  -0.705  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1        0.958   2.612  -1.419  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.747  -0.672   0.456  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -2.587  -0.757   1.581  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -2.232   0.040   3.074  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.766  -1.512   1.538  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.120  -2.205   0.384  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.292  -2.155  -0.731  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.115  -1.403  -0.695  0.00  0.00    +0.006 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1       -1.601   3.098   0.467  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -1.526   2.184  -0.750  0.00  0.00    +0.020 C 
ENDBRANCH   1  26
TORSDOF 2