REMARK  Name = BDB051910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.110   0.857  -0.558  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        0.961   0.128  -0.099  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.712  -1.141   0.466  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.606  -1.500   0.793  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -1.699  -0.637   0.580  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.464   0.636   0.017  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.519   1.540  -0.218  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.824   1.177   0.109  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.079  -0.074   0.667  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.030  -0.971   0.900  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.131   0.971  -0.303  0.00  0.00    +0.143 A 
ATOM     12  O   LIG    1        0.281   2.149  -0.851  0.00  0.00    -0.462 OA
ATOM     13  C   LIG    1        1.622   2.072  -1.000  0.00  0.00    +0.207 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.987  -0.825  -0.109  0.00  0.00    +0.092 C 
ATOM     15  C   LIG    1        3.527   0.519  -0.608  0.00  0.00    +0.164 C 
ATOM     16  O   LIG    1        4.352   1.318  -1.053  0.00  0.00    -0.292 OA
ENDBRANCH   1  15
BRANCH   4  17
ATOM     17  O   LIG    1       -0.844  -2.737   1.342  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1       -0.007  -3.220   1.431  0.00  0.00    +0.292 HD
ENDBRANCH   4  17
TORSDOF 2