REMARK  Name = BDB050696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174  -1.113  -0.043  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.007  -3.549  -0.280  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.350  -2.432  -0.628  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.278  -2.269  -1.605  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        1.526  -1.343  -1.795  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -1.425  -1.406   0.594  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -2.417  -0.471   0.581  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.274   0.882   0.275  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -3.385   1.733   0.317  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.636   1.231   0.670  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.997   2.282   0.720  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.787  -0.115   0.988  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.676  -0.960   0.946  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1        0.810  -0.595   1.016  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.047   0.043   0.428  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        3.255  -0.667   0.379  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.393  -0.093  -0.190  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.330   1.198  -0.708  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        5.869   1.978  -1.478  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        3.139   1.920  -0.661  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        2.000   1.344  -0.093  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6