REMARK  Name = BDB045856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.809  -0.307   0.279  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.092   0.726  -0.004  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -1.437   0.413  -0.257  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -1.887  -0.914  -0.222  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.986  -1.936   0.073  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.354  -1.633   0.326  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        2.784   1.126   0.116  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        2.343   1.707  -0.582  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        3.785   1.224   0.229  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        2.247  -0.049   0.563  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        2.938  -0.870   1.151  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  N   LIG    1       -2.384   1.492  -0.561  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -1.923   2.634  -0.709  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -3.583   1.198  -0.658  0.00  0.00    -0.126 OA
ENDBRANCH   3  12
TORSDOF 2