REMARK  Name = BDB053272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552   1.082  -1.468  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.882   1.221  -1.847  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.013   1.274  -0.993  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        3.079   1.387  -1.864  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        4.411   1.467  -1.467  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1        4.663   1.399  -0.089  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        3.608   1.304   0.824  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1        2.619   1.404  -3.143  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1        2.272   1.236   0.387  0.00  0.00    +0.017 A 
ATOM     10  N   LIG    1        1.238   1.284  -3.138  0.00  0.00    -0.082 NA
BRANCH   6  11
ATOM     11  O   LIG    1        5.988   1.497   0.240  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.520   0.815   1.390  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1        8.046   0.874   1.204  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        6.107  -0.661   1.463  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1        6.230   1.564   2.702  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1        6.214   1.054   3.812  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.005   2.890   2.511  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        6.022   3.115   1.556  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1       -0.971  -0.387  -1.381  0.00  0.00    +0.065 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.098  -1.756  -0.834  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -2.376  -0.584  -0.930  0.00  0.00    +0.084 A 
ATOM     22  N   LIG    1       -3.156   0.466  -0.507  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1       -4.310  -0.080  -0.175  0.00  0.00    +0.229 A 
ATOM     24  O   LIG    1       -4.339  -1.442  -0.354  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.539   0.528   0.335  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -5.568   1.781   0.970  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1       -4.150   2.731   1.267  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -6.780   2.321   1.426  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -7.976   1.625   1.260  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.968   0.385   0.635  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.763  -0.156   0.178  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
BRANCH  20  33
ATOM     32  C   LIG    1       -3.816  -3.787  -2.089  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -2.805  -3.191  -1.110  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -2.766  -3.994   0.191  0.00  0.00    +0.015 C 
ENDBRANCH  20  33
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9