REMARK  Name = BDB046955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.065   1.499  -0.529  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -1.235   1.252  -1.085  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.583  -0.082  -0.829  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.797  -0.629  -1.306  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.244  -2.033  -1.129  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.742  -2.822  -0.132  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.205  -3.723  -0.081  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.893  -2.412   0.959  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.529  -1.956   0.474  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.097  -2.512  -1.874  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.651   0.215  -2.044  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.331   1.542  -2.291  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.543  -0.611  -0.087  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.130   2.065  -1.818  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.477   0.316   0.077  0.00  0.00    +0.061 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        1.698   0.020   0.827  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        1.846   0.487   2.140  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.006   0.197   2.859  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.011  -0.557   2.263  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.124  -0.834   2.954  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.879  -1.028   0.962  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.719  -0.741   0.240  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  24
ATOM     23  C   LIG    1        2.300   2.788  -0.572  0.00  0.00    +0.091 C 
ATOM     24  C   LIG    1        0.793   2.773  -0.611  0.00  0.00    +0.163 C 
ATOM     25  O   LIG    1        0.189   3.842  -0.723  0.00  0.00    -0.292 OA
ENDBRANCH   1  24
TORSDOF 2