REMARK  Name = BDB003680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.737   2.341  -0.871  0.00  0.00    -0.280 OA
ATOM      2  C   LIG    1       -1.814   1.544  -0.824  0.00  0.00    +0.271 C 
ATOM      3  C   LIG    1       -2.031   0.121  -1.253  0.00  0.00    +0.239 C 
ATOM      4  O   LIG    1       -2.721  -0.162  -2.224  0.00  0.00    -0.285 OA
ATOM      5  C   LIG    1       -1.369  -0.901  -0.358  0.00  0.00    +0.219 C 
ATOM      6  C   LIG    1        0.002  -0.491   0.136  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        0.422   0.851   0.179  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        1.688   1.191   0.678  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.545   0.199   1.150  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.140  -1.132   1.127  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        0.881  -1.473   0.631  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.457   1.944  -0.295  0.00  0.00    +0.236 C 
ATOM     13  O   LIG    1       -0.117   3.116  -0.268  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   5  14
ATOM     14  O   LIG    1       -1.273  -2.143  -1.056  0.00  0.00    -0.379 OA
ATOM     15  H   LIG    1       -2.069  -2.215  -1.621  0.00  0.00    +0.211 HD
ENDBRANCH   5  14
TORSDOF 1