REMARK  Name = BDB002436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.483   0.181   0.325  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.015   0.116   0.038  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -1.434  -0.932  -0.566  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        0.032  -0.946  -0.822  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1        0.544  -1.925  -1.359  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        0.732   0.190  -0.425  0.00  0.00    -0.304 N 
ATOM      7  C   LIG    1        0.114   1.249   0.215  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -1.204   1.243   0.449  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.177   0.208  -0.635  0.00  0.00    +0.245 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.913  -0.478   0.504  0.00  0.00    +0.325 C 
ATOM     11  O   LIG    1        2.521  -0.663   1.645  0.00  0.00    -0.249 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.170  -0.837   0.159  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.516  -1.275   0.966  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   6   9
TORSDOF 3