REMARK  Name = BDB050688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.319  -1.497  -0.014  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.911  -3.186  -0.860  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        1.137  -2.785  -0.004  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        0.962  -3.506   1.126  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        1.555  -4.279   1.005  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.647  -0.729  -1.187  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.562   0.251  -0.926  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1        1.199   1.407  -0.236  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        2.147   2.412  -0.024  0.00  0.00    +0.063 A 
ATOM     10 CL   LIG    1        1.647   3.815   0.851  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1        3.450   2.259  -0.516  0.00  0.00    +0.059 A 
ATOM     12 CL   LIG    1        4.673   3.457  -0.287  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1        3.796   1.105  -1.227  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.848   0.103  -1.440  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.173  -1.851  -0.076  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.047  -0.662   0.258  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -2.513   0.185  -0.757  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.287   1.302  -0.443  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.601   1.584   0.885  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.142   0.748   1.901  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.367  -0.370   1.591  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6