REMARK  Name = BDB038847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.070   2.643   0.122  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.063   1.895   0.097  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -0.976   0.544   0.011  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.297  -0.036  -0.008  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1        0.687  -1.358  -0.024  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        0.050  -2.142  -0.009  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.056  -1.473  -0.049  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        2.574  -0.180  -0.022  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.975  -0.016  -0.031  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.800  -1.146  -0.070  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.250  -2.425  -0.096  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.865  -2.615  -0.085  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.466   0.725   0.019  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.356   2.121   0.078  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -2.228  -0.212  -0.035  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.253   0.059   0.885  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -4.443  -0.660   0.849  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.404  -0.393   1.744  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.653  -1.653  -0.100  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.659  -1.926  -1.035  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.458  -1.208  -1.004  0.00  0.00    +0.010 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     22  O   LIG    1        0.833   4.934   0.220  0.00  0.00    -0.243 OA
ATOM     23  C   LIG    1       -0.082   4.127   0.205  0.00  0.00    +0.355 C 
BRANCH  23  24
ATOM     24  OXT LIG    1       -1.365   4.534   0.269  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -1.315   5.509   0.317  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3