REMARK  Name = BDB047006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.297  -2.569  -0.292  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        0.227  -1.353  -0.148  0.00  0.00    +0.207 A 
ATOM      3  C   LIG    1        1.473  -0.598   0.051  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1        1.394   0.780   0.214  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        2.568   1.514   0.404  0.00  0.00    +0.160 A 
ATOM      6  C   LIG    1        3.811   0.888   0.431  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        3.888  -0.494   0.267  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1        0.218   1.486   0.202  0.00  0.00    -0.451 OA
ATOM      9  C   LIG    1       -0.956   0.796   0.018  0.00  0.00    +0.146 A 
ATOM     10  C   LIG    1       -2.115   1.576   0.016  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -3.353   0.971  -0.163  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -3.457  -0.404  -0.342  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -2.296  -1.183  -0.340  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1        2.722  -1.234   0.078  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1       -1.038  -0.588  -0.160  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   5  16
ATOM     16  O   LIG    1        2.538   2.871   0.569  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1        1.605   3.147   0.524  0.00  0.00    +0.292 HD
ENDBRANCH   5  16
BRANCH  11  18
ATOM     18  O   LIG    1       -4.453   1.776  -0.157  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -5.251   1.238  -0.291  0.00  0.00    +0.292 HD
ENDBRANCH  11  18
BRANCH  13  20
ATOM     20  O   LIG    1       -2.410  -2.533  -0.516  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -3.338  -2.791  -0.626  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
BRANCH  14  22
ATOM     22  O   LIG    1        2.872  -2.586  -0.076  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        1.974  -2.973  -0.200  0.00  0.00    +0.292 HD
ENDBRANCH  14  22
TORSDOF 4