REMARK  Name = BDB048611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.972   1.195   0.591  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.717   0.275  -0.433  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.599  -0.559  -0.374  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.281  -0.493   0.713  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        0.027   0.428   1.737  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.092   1.262   1.679  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.194   2.087   0.535  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.461   1.361   1.012  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.494   2.409   1.438  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -6.571   2.650   0.917  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.125   3.087   2.548  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -5.875   3.699   2.705  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -4.928   0.535  -0.064  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.271  -1.270  -0.848  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.834  -0.477   0.367  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        1.498  -1.382   0.764  0.00  0.00    +0.038 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.680  -0.769   0.008  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.946  -1.626   0.130  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.128  -0.946  -0.531  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1        5.359  -1.060  -1.910  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        6.437  -0.406  -2.510  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.295   0.375  -1.739  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        7.075   0.504  -0.369  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.997  -0.150   0.232  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  O   LIG    1        3.737  -2.901  -0.476  0.00  0.00    -0.387 OA
ATOM     26  H   LIG    1        3.287  -3.462   0.177  0.00  0.00    +0.210 HD
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11