REMARK  Name = BDB053273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.521   2.129   1.690  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.261  -0.159   0.610  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1        3.580   0.328  -0.507  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.337   0.916  -0.266  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        1.753   1.046   0.979  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        0.523   1.702   0.714  0.00  0.00    +0.092 A 
ATOM      7  N   LIG    1        0.370   1.943  -0.595  0.00  0.00    -0.082 NA
ATOM      8  C   LIG    1        2.439   0.552   2.097  0.00  0.00    +0.017 A 
ATOM      9  O   LIG    1        1.511   1.449  -1.205  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1        3.689  -0.050   1.887  0.00  0.00    +0.046 A 
BRANCH   2  11
ATOM     11  O   LIG    1        5.483  -0.767   0.621  0.00  0.00    -0.475 OA
BRANCH  11  13
ATOM     12  C   LIG    1        7.495  -1.754  -0.089  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        6.298  -0.897  -0.547  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1        6.849   0.473  -0.971  0.00  0.00    +0.067 C 
BRANCH  13  15
ATOM     15  C   LIG    1        5.679  -1.653  -1.735  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1        5.794  -1.371  -2.918  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1        4.960  -2.736  -1.372  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1        4.633  -3.108  -2.218  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1       -1.463   0.998   2.110  0.00  0.00    +0.065 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.517   0.703   1.101  0.00  0.00    +0.084 A 
ATOM     21  C   LIG    1       -2.795  -0.442   0.373  0.00  0.00    +0.134 A 
ATOM     22  O   LIG    1       -3.900  -0.166  -0.392  0.00  0.00    -0.439 OA
ATOM     23  C   LIG    1       -4.239   1.127  -0.091  0.00  0.00    +0.229 A 
ATOM     24  N   LIG    1       -3.446   1.676   0.805  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.394   1.671  -0.804  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -6.123   2.785  -0.350  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1       -5.780   3.610   1.133  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -7.213   3.273  -1.087  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -7.596   2.662  -2.279  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.891   1.556  -2.741  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.803   1.069  -2.013  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
BRANCH  21  32
ATOM     32  C   LIG    1       -2.216  -1.830   0.260  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1       -2.935  -2.648  -0.835  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1       -0.725  -1.764  -0.108  0.00  0.00    +0.019 C 
ATOM     35  C   LIG    1       -2.385  -2.571   1.598  0.00  0.00    +0.019 C 
ENDBRANCH  21  32
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9