REMARK  Name = BDB042808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.657  -2.605  -1.625  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.749  -1.369  -1.635  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        0.015  -1.155  -0.291  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        1.040  -0.738   0.757  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.142   0.129   0.324  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.983   0.657   1.296  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.782   0.243   2.691  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.776  -0.670   2.915  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.617  -0.959   3.875  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.495   0.677   3.588  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.007   1.528   0.932  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.165   1.845  -0.411  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        5.134   2.694  -0.776  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.343   1.286  -1.391  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.342   0.377  -1.038  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.888  -1.133   1.986  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.509  -0.172  -2.020  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.952  -0.240  -2.935  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.135  -0.103  -0.387  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -1.854   0.131   0.958  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -2.846   1.218   0.886  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -3.769   1.149   2.016  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -3.546   1.318  -0.397  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.583   0.003  -1.162  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -2.175  -0.510  -1.457  0.00  0.00    +0.007 C 
ENDBRANCH   3  19
TORSDOF 1