REMARK  Name = BDB047267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.750  -2.414   0.165  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.859  -1.739   0.592  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1       -3.240  -0.451   0.221  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -4.409   0.116   0.740  0.00  0.00    +0.129 A 
ATOM      5  O   LIG    1       -4.692   1.387   0.313  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -6.020   1.863   0.578  0.00  0.00    +0.203 C 
ATOM      7  C   LIG    1       -6.448   1.527   2.013  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -6.444   0.020   2.225  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -5.952   3.386   0.408  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -5.197  -0.586   1.656  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1       -4.817  -1.881   2.022  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.655  -2.448   1.494  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     13  C   LIG    1       -7.017   1.338  -0.474  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -6.760   0.753  -1.514  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.307   1.613  -0.175  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.800   1.238  -0.936  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   6  13
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.920  -1.814  -0.828  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.139  -0.905  -0.213  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.978  -1.628   0.839  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.009  -0.768   1.326  0.00  0.00    -0.490 OA
BRANCH  20  25
ATOM     21  C   LIG    1        5.857  -0.697  -0.352  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1        5.561  -0.043   0.850  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.268  -0.086   1.383  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        3.983   0.755   2.869  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        3.243  -0.791   0.733  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.540  -1.441  -0.468  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.834  -1.397  -1.001  0.00  0.00    +0.007 A 
BRANCH  21  28
ATOM     28  C   LIG    1        7.250  -0.649  -0.932  0.00  0.00    +0.038 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.451   1.887  -1.222  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        7.550   0.518  -1.896  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1        6.690   0.481  -3.160  0.00  0.00    +0.007 C 
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10