REMARK  Name = BDB000552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.821  -0.981   0.618  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        1.063  -2.047   0.061  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.111   0.732   0.316  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.844  -0.554  -0.195  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -1.557  -1.091  -0.077  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.531  -0.364   0.546  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.802   0.912   1.047  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.086   1.455   0.933  0.00  0.00    +0.050 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -4.727   2.443   0.736  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -4.396   1.189   0.157  0.00  0.00    -0.491 OA
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -3.900  -1.197  -0.792  0.00  0.00    -0.491 OA
ATOM     12  C   LIG    1       -3.692  -2.526  -1.250  0.00  0.00    +0.277 C 
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1        1.956  -0.286   1.340  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1        1.771   0.154   2.465  0.00  0.00    -0.283 OA
BRANCH  13  15
ATOM     15  C   LIG    1        3.246  -0.135   0.628  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1        4.473  -0.332   1.274  0.00  0.00    +0.052 A 
ATOM     17 CL   LIG    1        4.605  -0.856   2.915  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        5.667  -0.147   0.568  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        5.642   0.231  -0.776  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.424   0.422  -1.422  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.228   0.241  -0.726  0.00  0.00    +0.013 A 
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5