REMARK  Name = BDB047366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.078   1.090  -1.790  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.084   0.076  -1.814  0.00  0.00    -0.492 OA
BRANCH   2   9
ATOM      3  C   LIG    1        7.599  -0.192  -0.276  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1        6.428  -0.711   0.559  0.00  0.00    +0.207 C 
ATOM      5  O   LIG    1        5.720   0.446   1.102  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1        4.532   0.478   0.424  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        4.314  -0.624  -0.379  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        3.149  -0.740  -1.118  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.197   0.284  -1.045  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        2.431   1.400  -0.224  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.611   1.499   0.523  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.444  -1.573  -0.255  0.00  0.00    +0.098 C 
BRANCH   4  13
ATOM     13  C   LIG    1        6.976  -1.527   1.732  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        7.597  -2.574   1.616  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.708  -0.971   2.940  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        6.196  -0.141   2.816  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   4  13
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.059   0.636  -2.702  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.150   1.693  -2.832  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.639   2.115  -1.561  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.585   1.372  -0.911  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1       -3.941   1.797   0.380  0.00  0.00    +0.086 A 
ATOM     22 CL   LIG    1       -3.197   3.186   1.100  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1       -4.902   1.112   1.134  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -5.524  -0.015   0.604  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1       -5.175  -0.444  -0.677  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -4.214   0.241  -1.432  0.00  0.00    +0.051 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -6.474  -0.779   1.220  0.00  0.00    -0.483 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.876  -0.393   2.540  0.00  0.00    +0.342 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.936  -1.344   3.075  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1       -9.046  -1.344   2.305  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1       -7.479  -2.613   3.153  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1       -8.311  -0.973   4.323  0.00  0.00    -0.167 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11