REMARK  Name = BDB001249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.497   0.440   1.411  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.923  -0.624   2.106  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.451  -0.847   2.009  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.240  -0.005   1.221  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -0.665   1.088   0.565  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.709   1.310   0.662  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.837   0.683   1.529  0.00  0.00    -0.478 OA
BRANCH   7   9
ATOM      8  C   LIG    1        4.948  -0.360   1.246  0.00  0.00    +0.064 C 
ATOM      9  C   LIG    1        3.594  -0.095   0.596  0.00  0.00    +0.278 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.817   0.623  -0.745  0.00  0.00    +0.346 C 
ATOM     11  O   LIG    1        3.579   1.800  -0.968  0.00  0.00    -0.247 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.318  -0.191  -1.712  0.00  0.00    -0.478 OA
ATOM     13  H   LIG    1        4.453  -1.117  -1.439  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  O   LIG    1       -2.592  -0.262   1.202  0.00  0.00    -0.456 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.235  -0.185  -0.012  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.445   0.510  -0.045  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -5.167   0.595  -1.238  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.681  -0.031  -2.385  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.570   0.070  -3.854  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.483  -0.746  -2.350  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.761  -0.831  -1.157  0.00  0.00    +0.048 A 
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 6