REMARK  Name = BDB046832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.291   0.913   1.768  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.656   1.605   1.787  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.795   1.873  -2.403  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.639   1.236  -1.368  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -5.325  -0.042  -1.115  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -5.071  -0.675   0.105  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -5.708  -1.888   0.371  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -6.581  -2.454  -0.565  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.824  -1.808  -1.778  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -4.200  -0.139   1.069  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -3.619   0.985   0.802  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -6.195  -0.596  -2.058  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -3.808   1.671  -0.367  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.347   2.552  -0.541  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.507   1.188   0.476  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.791   0.498   0.430  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        1.390   0.611  -0.910  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        2.655  -0.256  -1.024  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.601  -0.040   0.132  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        3.150   0.542   1.259  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.728   0.995   1.451  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.001  -0.492  -0.009  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1        5.297  -1.719  -0.616  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.620  -2.129  -0.758  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        6.885  -3.309  -1.335  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.671  -1.337  -0.313  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.395  -0.112   0.285  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.069   0.308   0.433  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5