REMARK  Name = BDB047639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.630  -2.275   0.833  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.912  -1.355   0.428  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -0.568  -1.488   0.554  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -0.334  -2.392   0.945  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        0.513  -0.656   0.194  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        0.444   0.677  -0.262  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.649   1.294  -0.667  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.888   0.664  -0.545  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.953  -0.620  -0.032  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -0.717   1.438  -0.456  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1       -0.516   2.436  -0.429  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1       -1.907   1.102   0.302  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        1.775  -1.272   0.329  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.515  -0.163  -0.238  0.00  0.00    +0.114 C 
ENDROOT
TORSDOF 0