REMARK  Name = BDB050697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.535   0.307   1.722  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.307   1.094   2.789  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1        2.472   0.953   3.124  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1        0.543   1.999   3.442  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        1.150   2.372   4.117  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  C   LIG    1       -0.287   1.211   0.780  0.00  0.00    +0.091 C 
BRANCH   6  11
ATOM      7  C   LIG    1       -4.813  -1.645  -1.534  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.657  -0.884  -0.955  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -3.797  -0.189   0.251  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.712   0.493   0.807  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.466   0.485   0.168  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.322  -0.226  -1.030  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.407  -0.908  -1.584  0.00  0.00    +0.003 A 
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  O   LIG    1        1.270  -0.702   1.028  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.298  -0.412   0.182  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        2.752  -1.511  -0.556  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.796  -1.378  -1.474  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.398  -0.137  -1.652  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.684   0.039  -2.779  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.962   0.963  -0.918  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.913   0.826  -0.000  0.00  0.00    +0.047 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6