REMARK  Name = BDB047348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.912  -0.249   0.693  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.069  -1.541  -0.104  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1        1.007  -1.641  -1.321  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1        1.248  -2.643   0.654  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        1.274  -3.378   0.006  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  O   LIG    1       -0.209  -0.309   1.579  0.00  0.00    -0.477 OA
BRANCH   6  10
ATOM      7  C   LIG    1       -4.168   0.095   0.305  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.826  -0.098   1.648  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.486  -0.227   2.022  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.468  -0.165   1.068  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -1.806   0.029  -0.271  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.150   0.157  -0.652  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.991   0.419  -1.497  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -5.612   0.226  -0.052  0.00  0.00    +0.160 C 
ATOM     15  O   LIG    1       -6.468   0.177   0.828  0.00  0.00    -0.292 OA
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        2.157  -0.003   1.560  0.00  0.00    +0.091 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.394   0.321   0.760  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1        3.583   1.606   0.233  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.718   1.900  -0.524  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.673   0.913  -0.761  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.495  -0.367  -0.241  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.361  -0.663   0.516  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7