REMARK  Name = BDB045296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.533  -0.162   0.310  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.588  -0.994   0.429  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -1.860  -0.460   0.255  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.035   0.890  -0.029  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.924   1.725  -0.133  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.361   1.204   0.040  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        2.952  -0.111  -0.028  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        2.852   0.598  -0.740  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        3.832  -0.610   0.007  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        1.877  -0.769   0.502  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        2.020  -1.839   1.080  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  O   LIG    1       -2.976  -1.237   0.358  0.00  0.00    -0.507 OA
ATOM     13  H   LIG    1       -2.706  -2.140   0.596  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
TORSDOF 2