REMARK  Name = BDB045861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.656  -0.341   0.074  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.135  -1.290   0.734  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.494  -1.049   0.939  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.062   0.133   0.476  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        1.293   1.080  -0.195  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.070   0.842  -0.400  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.944   0.421  -0.310  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.931   0.196  -0.303  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -2.684   1.361  -0.048  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1       -2.100  -0.639  -0.122  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -2.534  -1.784  -0.082  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   4  12
ATOM     12  O   LIG    1        3.393   0.326   0.696  0.00  0.00    -0.507 OA
ATOM     13  H   LIG    1        3.658   1.173   0.302  0.00  0.00    +0.292 HD
ENDBRANCH   4  12
TORSDOF 2