REMARK  Name = BDB000693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.099   0.450   0.306  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1        0.003   0.832   1.729  0.00  0.00    +0.351 A 
ATOM      3  O   LIG    1       -0.973   1.130   2.408  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1        1.284   0.867   2.276  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1        2.430   0.642   1.493  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        2.318   0.343   0.140  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        3.481   0.136  -0.606  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        4.746   0.234   0.002  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        4.826   0.525   1.374  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        3.667   0.734   2.122  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        0.993   0.238  -0.446  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -1.584   0.561  -1.552  0.00  0.00    -0.244 OA
ATOM     13  C   LIG    1       -1.405   0.294  -0.370  0.00  0.00    +0.351 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.318  -0.256   0.510  0.00  0.00    -0.422 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.608  -0.434  -0.000  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1       -4.638   0.299   0.585  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.946   0.113   0.141  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.214  -0.812  -0.871  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.177  -1.557  -1.437  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.866  -1.376  -0.995  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1        5.996  -0.007  -0.799  0.00  0.00    +0.143 C 
ATOM     22 CL   LIG    1        6.375  -1.740  -0.845  0.00  0.00    -0.120 Cl
ENDBRANCH   8  21
TORSDOF 4