REMARK  Name = BDB051443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287  -0.261   0.292  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.248   0.613  -0.441  0.00  0.00    +0.200 A 
ATOM      3  O   LIG    1        0.892   1.448  -1.264  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1        2.677   0.430  -0.130  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        3.046  -0.511   0.828  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1        4.392  -0.699   1.138  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        5.359   0.060   0.484  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        5.002   1.004  -0.476  0.00  0.00    +0.046 A 
ATOM      9  O   LIG    1        2.134  -1.281   1.500  0.00  0.00    -0.462 OA
ATOM     10  C   LIG    1        3.653   1.192  -0.785  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.805  -1.111   1.194  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -3.307  -1.278  -0.335  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -1.926  -1.350  -0.151  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -1.173  -0.185   0.080  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -1.826   1.057   0.106  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -3.206   1.139  -0.085  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -3.937  -0.032  -0.293  0.00  0.00    +0.091 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -3.552  -3.622  -0.669  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.146  -2.335  -0.559  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  16  20
ATOM     20  O   LIG    1       -3.950   2.287  -0.081  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -3.233   3.515  -0.048  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  O   LIG    1        6.663  -0.155   0.816  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        7.225   0.436   0.288  0.00  0.00    +0.292 HD
ENDBRANCH   7  22
TORSDOF 4