REMARK  Name = BDB064824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.912   0.431  -1.509  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.887   0.172  -0.884  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.549  -1.125  -0.593  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -4.255  -1.809  -0.834  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.639  -1.548   0.350  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -2.701  -2.696   0.783  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.572  -0.528   0.753  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.038  -0.857   2.039  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.340  -0.534   2.044  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.710  -0.412   0.811  0.00  0.00    +0.094 C 
ATOM     11  C   LIG    1       -0.381  -0.628  -0.184  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -2.209   0.861   0.843  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -2.918   1.242  -0.446  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.088  -0.095   0.386  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        2.963   0.563   1.254  0.00  0.00    +0.132 A 
ATOM     16  F   LIG    1        2.572   0.960   2.473  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.267   0.862   0.861  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.710   0.501  -0.411  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.846  -0.155  -1.286  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.537  -0.454  -0.892  0.00  0.00    +0.012 A 
ENDBRANCH  10  14
TORSDOF 1