REMARK  Name = BDB050695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.148  -1.108  -0.108  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.083  -3.525  -0.456  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.402  -2.384  -0.760  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.311  -2.152  -1.741  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.527  -1.212  -1.896  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.389  -1.461   0.517  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.399  -0.545   0.566  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.287   0.824   0.322  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.413   1.649   0.422  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.649   1.106   0.771  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.028   2.126   0.892  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.768  -0.256   1.025  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.642  -1.076   0.925  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.830  -0.622   0.971  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.049   0.073   0.411  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1       -3.270  -0.610   0.310  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.392   0.021  -0.231  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.302   1.340  -0.667  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.683   2.118  -1.335  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.098   2.033  -0.568  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.974   1.402  -0.029  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6