REMARK  Name = BDB001005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.086  -0.436   0.137  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.997   0.479   0.093  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.327  -0.033   0.040  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.416   0.858   0.019  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.797   0.326  -0.031  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -2.923  -1.041  -0.049  0.00  0.00    -0.289 N 
ATOM      7  H   LIG    1       -3.864  -1.407  -0.093  0.00  0.00    +0.172 HD
ATOM      8  C   LIG    1       -1.906  -1.964  -0.057  0.00  0.00    +0.259 A 
ATOM      9  O   LIG    1       -2.127  -3.167  -0.110  0.00  0.00    -0.267 OA
ATOM     10  O   LIG    1       -3.773   1.065  -0.058  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -1.224   2.242   0.038  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        0.065   2.755   0.075  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -0.528  -1.423  -0.003  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        0.548  -2.310  -0.013  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        1.158   1.886   0.101  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        1.846  -1.813   0.038  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1        3.434  -0.026   0.082  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1        3.793  -0.080  -0.870  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        3.598   0.898   0.465  0.00  0.00    +0.142 HD
ENDBRANCH   1  17
TORSDOF 1