REMARK  Name = BDB053451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.282  -1.783   2.292  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        3.110  -1.183   1.246  0.00  0.00    +0.311 C 
ATOM      3  N   LIG    1        1.945  -0.552   0.850  0.00  0.00    -0.265 N 
ATOM      4  H   LIG    1        1.106  -0.506   1.411  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        2.125   0.027  -0.373  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1        1.256   0.748  -1.088  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1        3.532  -0.266  -0.779  0.00  0.00    +0.266 C 
ATOM      8  O   LIG    1        4.096   0.085  -1.796  0.00  0.00    -0.268 OA
ATOM      9  N   LIG    1        4.037  -1.008   0.252  0.00  0.00    -0.235 N 
ATOM     10  H   LIG    1        4.978  -1.359   0.294  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.089   1.051  -0.725  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.126   0.173  -0.282  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.251   0.966  -0.040  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -3.463   0.442   0.426  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.534  -0.937   0.641  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -2.438  -1.759   0.392  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -1.912   2.263  -0.354  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -2.541   3.051  -0.284  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -1.234  -1.219  -0.073  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.614   2.323  -0.787  0.00  0.00    +0.091 A 
ENDBRANCH   6  11
TORSDOF 1