REMARK  Name = BDB008463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.273  -0.074   0.998  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -3.006   0.164  -0.420  0.00  0.00    -0.294 NA
ATOM      3  C   LIG    1       -2.234   1.405  -0.643  0.00  0.00    +0.138 C 
ATOM      4  C   LIG    1       -0.793   1.179  -0.356  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.164  -0.044  -0.356  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.896  -1.237  -0.650  0.00  0.00    +0.085 A 
ATOM      7  N   LIG    1       -0.406  -2.436  -0.636  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        0.871  -2.811  -0.337  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.996  -3.819  -0.394  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        2.059  -2.190  -0.007  0.00  0.00    +0.273 A 
ATOM     11  C   LIG    1        2.236  -0.738   0.156  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        3.491  -0.208   0.503  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.654   1.162   0.672  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        2.599   2.061   0.513  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.358   1.521   0.168  0.00  0.00    +0.051 A 
ATOM     16  F   LIG    1        4.862   1.638   1.004  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        3.049  -2.908   0.169  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.173   0.146  -0.015  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        0.138   2.133  -0.049  0.00  0.00    -0.356 N 
ATOM     20  H   LIG    1       -0.031   3.128   0.023  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -2.369  -1.024  -1.061  0.00  0.00    +0.142 C 
ENDROOT
TORSDOF 0