REMARK  Name = BDB054809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   0.407   0.955  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.699   0.364   2.309  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.662   1.142   2.821  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.011  -0.496   3.157  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.011  -1.302   2.648  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.365  -1.242   1.289  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.646  -0.386   0.440  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.450   2.278  -0.380  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.095   1.326   0.055  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.425   1.064  -0.278  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        3.027  -0.293  -0.195  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        2.902  -0.938  -1.617  0.00  0.00    +0.108 C 
ATOM     13  N   LIG    1        3.510  -0.133  -2.706  0.00  0.00    -0.312 NA
ATOM     14  H   LIG    1        4.508  -0.037  -2.507  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        2.924   1.228  -2.694  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1        3.024   1.911  -1.316  0.00  0.00    +0.124 C 
BRANCH  11  17
ATOM     17  C   LIG    1        4.433  -0.258   0.412  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1        5.473  -1.097  -0.024  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.734  -1.059   0.581  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.977  -0.193   1.643  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.958   0.632   2.106  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.699   0.593   1.501  0.00  0.00    +0.005 A 
ENDBRANCH  11  17
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -2.469  -2.135   0.764  0.00  0.00    +0.094 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.355  -1.488  -0.292  0.00  0.00    +0.087 A 
ATOM     25  C   LIG    1       -4.381  -0.475   0.139  0.00  0.00    +0.059 A 
ATOM     26  N   LIG    1       -4.491  -0.065   1.465  0.00  0.00    -0.342 N 
ATOM     27  H   LIG    1       -3.611  -0.104   1.977  0.00  0.00    +0.146 HD
ATOM     28  C   LIG    1       -5.283   1.118   1.796  0.00  0.00    +0.102 C 
ATOM     29  C   LIG    1       -6.568   1.113   0.973  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1       -6.264   1.006  -0.527  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -5.181   0.006  -0.825  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -5.000  -0.420  -2.231  0.00  0.00    +0.270 A 
ATOM     33  O   LIG    1       -5.715   0.007  -3.132  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -3.982  -1.306  -2.465  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -3.844  -1.609  -3.424  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -3.170  -1.861  -1.524  0.00  0.00    -0.174 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4