REMARK  Name = BDB036954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.150   0.222  -0.269  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.925   0.170  -0.249  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.186   0.406  -1.381  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.716   0.628  -2.213  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.821   0.575  -1.482  0.00  0.00    +0.242 C 
ATOM      6  O   LIG    1       -1.343   1.002  -2.530  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -1.012   0.294  -0.220  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -1.772  -0.641   0.723  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.147  -0.068   1.022  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.322  -0.243  -0.504  0.00  0.00    -0.335 N 
ATOM     11  C   LIG    1        1.492   0.160   0.117  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.518  -0.648  -0.388  0.00  0.00    -0.000 A 
ATOM     13  C   LIG    1        3.836  -0.450   0.069  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        4.095   0.541   1.019  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.063   1.331   1.515  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.931  -1.550  -1.313  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        1.747   1.155   1.076  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        0.581  -1.292  -1.353  0.00  0.00    +0.087 A 
ENDBRANCH   7  10
TORSDOF 1