REMARK  Name = BDB050060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.143   0.378  -0.164  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -1.890   0.135   0.022  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1       -1.207   0.003  -1.159  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -1.737   0.114  -2.439  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -0.817  -0.042  -3.364  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.345  -0.259  -2.672  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.122   0.374  -2.554  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        0.148  -0.247  -1.300  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -3.860   0.512  -1.446  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.106  -0.424  -0.208  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.384   0.150  -0.298  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.333  -0.018   0.726  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.985  -0.767   1.858  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.722  -1.348   1.956  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.791  -1.179   0.928  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.689   0.633   0.621  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        5.655  -0.021   1.325  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        5.149   0.703  -0.660  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        4.688   1.912   1.088  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -3.491   0.471   2.172  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1       -4.028   0.552   0.847  0.00  0.00    -0.479 OA
ENDBRANCH   1  21
TORSDOF 3