REMARK  Name = BDB045763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.674   0.834   0.428  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -0.648  -0.094   0.134  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.088  -1.403  -0.177  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.127  -2.422  -0.671  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        1.177  -2.037  -0.822  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        1.803  -2.756  -1.160  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        1.683  -0.798  -0.419  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.066  -0.600  -0.517  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        3.632   0.576  -0.042  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.818   1.532   0.550  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.434   1.329   0.638  0.00  0.00    +0.010 A 
ATOM     12  O   LIG    1       -0.486  -3.557  -0.963  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.441  -1.784  -0.091  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -3.407  -0.861   0.283  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.817   0.179   0.113  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -3.026   0.450   0.528  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -1.700   2.893   1.604  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -1.460   2.284   0.578  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.039   2.857  -0.568  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -0.908   2.237  -1.312  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2