REMARK  Name = BDB049871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.610   0.317  -0.113  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.731  -0.151   0.098  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.583   0.952  -0.000  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.971   0.855   0.154  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -3.509  -0.408   0.417  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.689  -1.528   0.521  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.798   2.049  -0.260  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1       -1.150   2.989  -0.381  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.303  -1.413   0.364  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.518   1.683  -0.331  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.838  -0.471  -0.105  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1        1.869  -1.681   0.092  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1        4.170  -0.449  -0.341  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        2.950   0.290  -0.342  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 2