REMARK  Name = BDB045767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792  -0.373  -1.875  0.00  0.00    +0.174 C 
ATOM      2  O   LIG    1        0.770   0.264  -2.933  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.988  -0.201  -0.985  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        3.026   0.666  -1.375  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        4.155   0.850  -0.576  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        4.254   0.164   0.626  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        3.245  -0.698   1.036  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.113  -0.883   0.234  0.00  0.00    +0.018 A 
BRANCH   4   9
ATOM      9  O   LIG    1        3.011   1.381  -2.546  0.00  0.00    -0.506 OA
ATOM     10  H   LIG    1        2.175   1.168  -3.019  0.00  0.00    +0.292 HD
ENDBRANCH   4   9
BRANCH   6  11
ATOM     11  O   LIG    1        5.336   0.308   1.442  0.00  0.00    -0.507 OA
ATOM     12  H   LIG    1        5.949   0.943   1.035  0.00  0.00    +0.292 HD
ENDBRANCH   6  11
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.356  -1.302  -1.466  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -1.230  -1.647  -2.677  0.00  0.00    +0.021 C 
BRANCH  13  18
ATOM     15  C   LIG    1       -2.837   0.329   1.701  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -2.427  -1.005   1.728  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.630  -1.529   0.707  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.218  -0.719  -0.359  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1       -1.647   0.617  -0.389  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.446   1.138   0.635  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.047   2.065   2.783  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.611   0.711   2.761  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 6