REMARK  Name = BDB042776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.648  -2.610  -1.626  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.737  -1.377  -1.634  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        0.015  -1.156  -0.285  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        1.049  -0.731   0.751  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.145   0.136   0.303  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.993   0.672   1.263  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.808   0.266   2.663  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.806  -0.648   2.901  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.657  -0.932   3.865  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.528   0.707   3.550  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.012   1.544   0.885  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.156   1.853  -0.462  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.119   2.703  -0.842  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.326   1.286  -1.431  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.331   0.378  -1.063  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.910  -1.119   1.984  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.490  -0.179  -2.034  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.924  -0.252  -2.952  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.139  -0.108  -0.376  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -1.845   0.131   0.976  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -2.840   1.216   0.907  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -3.752   1.151   2.046  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -3.553   1.306  -0.370  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.594  -0.013  -1.127  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -2.187  -0.524  -1.433  0.00  0.00    +0.007 C 
ENDBRANCH   3  19
TORSDOF 1