REMARK  Name = BDB052682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.014  -1.064  -0.468  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -4.200  -0.774   0.402  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1       -2.756  -0.518   0.119  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.865  -0.195   1.220  0.00  0.00    +0.143 A 
ATOM      5  O   LIG    1       -0.521   0.027   0.935  0.00  0.00    -0.451 OA
ATOM      6  C   LIG    1       -0.075  -0.037  -0.388  0.00  0.00    +0.177 A 
ATOM      7  C   LIG    1       -0.906  -0.339  -1.407  0.00  0.00    +0.160 A 
ATOM      8  C   LIG    1       -2.326  -0.114   2.477  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -3.722  -0.348   2.769  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -2.303  -0.591  -1.143  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -4.615  -0.659   1.822  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        1.367   0.232  -0.540  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.837   1.168  -1.478  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        3.199   1.422  -1.581  0.00  0.00    +0.163 A 
ATOM     15  C   LIG    1        4.102   0.759  -0.763  0.00  0.00    +0.201 A 
ATOM     16  C   LIG    1        3.651  -0.165   0.171  0.00  0.00    +0.163 A 
ATOM     17  C   LIG    1        2.290  -0.431   0.292  0.00  0.00    +0.061 A 
BRANCH  14  18
ATOM     18  O   LIG    1        3.646   2.334  -2.494  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1        4.618   2.333  -2.385  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
BRANCH  15  20
ATOM     20  O   LIG    1        5.438   1.030  -0.887  0.00  0.00    -0.501 OA
ATOM     21  H   LIG    1        5.861   0.450  -0.221  0.00  0.00    +0.292 HD
ENDBRANCH  15  20
BRANCH  16  22
ATOM     22  O   LIG    1        4.585  -0.789   0.951  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1        4.124  -1.420   1.530  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH   6  12
BRANCH   7  24
ATOM     24  O   LIG    1       -0.492  -0.442  -2.715  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1       -1.250  -0.665  -3.280  0.00  0.00    +0.292 HD
ENDBRANCH   7  24
BRANCH   9  26
ATOM     26  O   LIG    1       -4.116  -0.240   4.084  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -3.360   0.027   4.632  0.00  0.00    +0.292 HD
ENDBRANCH   9  26
TORSDOF 6