REMARK  Name = BDB038849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469   0.962   0.279  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -0.511   0.275  -0.448  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -0.567  -1.040  -0.858  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1        0.155  -1.725  -0.681  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -1.726  -1.296  -1.550  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.438  -0.100  -1.609  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.679  -0.087  -2.280  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.158  -1.267  -2.861  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.421  -2.447  -2.784  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.188  -2.484  -2.127  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.667   0.893  -0.926  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.853   2.259  -0.673  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -0.841   2.888   0.034  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1        0.293   2.290   0.501  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.702  -2.592   3.034  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        2.790  -1.405   2.121  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        1.624  -0.798   1.631  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        1.682   0.338   0.803  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        2.944   0.874   0.502  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.110   0.285   0.995  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.032  -0.849   1.802  0.00  0.00    +0.003 A 
ENDBRANCH   1  18
BRANCH  13  22
ATOM     22  C   LIG    1       -0.947   4.344   0.345  0.00  0.00    +0.355 C 
ATOM     23  O   LIG    1       -1.866   5.069   0.009  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  OXT LIG    1        0.131   4.750   1.060  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1        0.721   3.970   1.205  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  13  22
TORSDOF 3