REMARK  Name = BDB047280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.327  -2.424  -1.784  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -6.316   0.876  -0.680  0.00  0.00    +0.206 C 
ATOM      3  O   LIG    1       -5.014   0.611  -1.256  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.551  -0.674  -1.196  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -5.343  -1.769  -0.845  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -4.760  -3.039  -0.797  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.412  -3.206  -1.122  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.626  -2.113  -1.495  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -6.788  -1.590  -0.493  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.204  -0.846  -1.530  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -7.296  -0.257  -1.016  0.00  0.00    +0.064 C 
BRANCH   2  13
ATOM     12  C   LIG    1       -7.372   1.351   1.652  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.107   1.163   0.827  0.00  0.00    +0.056 C 
ENDBRANCH   2  13
BRANCH   2  14
ATOM     14  C   LIG    1       -6.769   2.177  -1.368  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -6.070   2.996  -1.946  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.096   2.414  -1.270  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.207   3.267  -1.742  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.449  -1.385  -2.210  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.186  -0.654  -1.031  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.895  -1.611  -0.075  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.537  -0.879   0.971  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.847  -0.509   0.828  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        3.485   0.007   1.967  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        2.655   0.145   3.480  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        4.821   0.422   1.918  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.552   0.340   0.726  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        4.912  -0.171  -0.410  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.575  -0.587  -0.361  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.002   0.779   0.645  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1        7.214   2.232   1.084  0.00  0.00    +0.036 C 
ATOM     31  C   LIG    1        8.674   2.642   0.894  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1        9.582   1.539   0.939  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        9.202   0.554   1.893  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1        7.933  -0.158   1.435  0.00  0.00    +0.036 C 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10