REMARK  Name = BDB045873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.531   0.340   0.170  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -0.393   1.712   0.109  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.361   2.845   0.045  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -0.699   4.176   0.406  0.00  0.00    +0.008 C 
ATOM      5  C   LIG    1        0.620   4.345  -0.346  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        1.599   3.224   0.006  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1        0.967   1.918   0.048  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1        1.596   0.698   0.085  0.00  0.00    +0.183 A 
ATOM      9  N   LIG    1        0.699  -0.273   0.121  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -4.120  -1.954   0.216  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.939  -0.932   1.153  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.766  -0.179   1.141  0.00  0.00    +0.133 A 
ATOM     13  F   LIG    1       -2.617   0.768   2.079  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.763  -0.418   0.197  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.943  -1.455  -0.729  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -3.116  -2.217  -0.725  0.00  0.00    +0.016 A 
BRANCH  10  18
ATOM     17  O   LIG    1       -6.294  -2.558   1.047  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -5.380  -2.731   0.263  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -5.438  -3.689  -0.679  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -6.308  -4.114  -0.530  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   8  21
ATOM     21  C   LIG    1        3.026   0.460   0.090  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1        3.894   1.331   0.070  0.00  0.00    -0.283 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.466  -0.943   0.130  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        3.631  -1.657  -1.061  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1        3.341  -0.951  -2.612  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        4.046  -2.992  -1.020  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        4.297  -3.610   0.206  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.133  -2.895   1.393  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        3.718  -1.561   1.359  0.00  0.00    +0.053 A 
ATOM     30 CL   LIG    1        3.535  -0.734   2.864  0.00  0.00    -0.083 Cl
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5