REMARK  Name = BDB050701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712  -0.099  -2.340  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.650  -0.295  -1.719  0.00  0.00    -0.043 A 
ATOM      3  C   LIG    1       -0.897  -1.394  -0.884  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.151  -1.564  -0.293  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.160  -0.626  -0.520  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.932   0.456  -1.368  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.679   0.626  -1.960  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -4.425  -0.753   0.006  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.527  -1.052   1.345  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -3.808  -0.368   2.329  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.986  -0.698   3.673  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.891  -1.698   4.033  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.625  -2.364   3.050  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.448  -2.036   1.706  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.757   0.476  -1.371  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1        1.482   2.882  -1.830  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        1.394   1.928  -1.073  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.924   2.104   0.182  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        0.716   3.062   0.221  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  O   LIG    1        3.022   0.381  -2.033  0.00  0.00    -0.477 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.162   0.547  -1.299  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.341   0.502  -2.052  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.587   0.655  -1.440  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.656   0.854  -0.065  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        8.185   1.042   0.699  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        5.490   0.899   0.697  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        4.242   0.746   0.080  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8