REMARK  Name = BDB063094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.544  -0.677  -1.092  0.00  0.00    -0.014 C 
ATOM      2  C   LIG    1       -0.664  -0.675  -0.503  0.00  0.00    +0.064 C 
ATOM      3  C   LIG    1       -1.323   0.299   0.404  0.00  0.00    +0.191 C 
ATOM      4  C   LIG    1       -2.786  -0.069   0.212  0.00  0.00    +0.207 C 
ATOM      5  C   LIG    1       -3.615   0.153   1.467  0.00  0.00    +0.055 C 
ATOM      6  O   LIG    1       -2.806  -1.456  -0.135  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1       -1.617  -1.797  -0.701  0.00  0.00    +0.338 C 
ATOM      8  O   LIG    1       -1.378  -2.853  -1.256  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -1.092   1.655   0.053  0.00  0.00    -0.383 OA
ATOM     10  H   LIG    1       -1.016   1.711  -0.916  0.00  0.00    +0.210 HD
ENDBRANCH   3   9
BRANCH   1  11
ATOM     11  C   LIG    1        1.623   0.356  -0.927  0.00  0.00    +0.027 C 
BRANCH  11  13
ATOM     12  C   LIG    1        4.033   0.751  -0.303  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        2.932  -0.285  -0.461  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 3