REMARK  Name = BDB062851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230   0.930   0.168  0.00  0.00    +0.190 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.495   0.093  -0.059  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1        2.214   0.093  -1.265  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.367  -0.683  -1.417  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        3.827  -1.475  -0.369  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        3.134  -1.493   0.835  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.982  -0.719   0.988  0.00  0.00    +0.007 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -1.006   0.058   0.495  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.305   0.825   0.768  0.00  0.00    +0.007 C 
ATOM     10  C   LIG    1       -3.352  -0.277   0.730  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -2.916  -1.166  -0.429  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -1.406  -0.963  -0.580  0.00  0.00    +0.007 C 
ENDBRANCH   1   8
BRANCH   1  14
ATOM     13  O   LIG    1       -0.253   1.717  -2.145  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -0.100   1.956  -0.957  0.00  0.00    +0.342 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -0.247   3.217  -0.456  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -0.126   3.159   0.523  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   1  17
ATOM     17  O   LIG    1        0.484   1.768   1.341  0.00  0.00    -0.373 OA
ATOM     18  H   LIG    1        1.456   1.819   1.442  0.00  0.00    +0.211 HD
ENDBRANCH   1  17
TORSDOF 5