REMARK  Name = BDB047305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.066   0.370  -0.258  0.00  0.00    -0.471 OA
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.392  -0.175   0.071  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -1.352   0.763  -0.006  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.638   2.137   0.066  0.00  0.00    +0.084 A 
ATOM      5 CL   LIG    1       -0.402   3.322  -0.191  0.00  0.00    -0.080 Cl
ATOM      6  C   LIG    1       -2.934   2.586   0.329  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.968   1.661   0.485  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -3.693   0.292   0.337  0.00  0.00    +0.018 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.376   2.077   0.771  0.00  0.00    +0.163 C 
ATOM     10  O   LIG    1       -6.257   1.221   0.797  0.00  0.00    -0.292 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -5.666   3.548   1.019  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -7.126   3.797   1.363  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
BRANCH   2  13
ATOM     13  C   LIG    1       -2.200  -1.649  -0.207  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.337  -3.478  -1.937  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -2.568  -2.001  -1.651  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.661  -0.059   0.899  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.031  -0.462   0.359  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.511  -1.769   0.524  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.783  -2.120   0.064  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.601  -1.179  -0.574  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1        4.116   0.125  -0.746  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.846   0.481  -0.287  0.00  0.00    +0.008 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.979  -1.587  -1.066  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.102  -1.444  -2.586  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        7.084  -0.803  -0.353  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
BRANCH  16  26
ATOM     26  C   LIG    1        0.762   0.849   2.171  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1       -0.164   1.521   2.613  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        1.934   0.789   2.857  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        2.638   0.246   2.448  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 10