REMARK  Name = BDB008491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.630  -2.531   1.687  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        0.161  -1.573   1.098  0.00  0.00    +0.343 C 
ATOM      3  C   LIG    1        0.907  -0.572   0.309  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.026   0.238  -0.203  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -1.395  -0.157   0.235  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1       -1.169  -1.294   1.058  0.00  0.00    -0.424 OA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.325  -0.539   0.198  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.287  -0.642   1.253  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        4.551  -0.540   0.665  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        5.740  -0.591   1.404  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.632  -0.750   2.788  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        4.393  -0.853   3.410  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1        7.067  -0.818   3.740  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1        4.361  -0.391  -0.689  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        5.106  -0.295  -1.365  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.214  -0.798   2.655  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.022  -0.388  -0.982  0.00  0.00    +0.092 A 
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1        0.213   1.428  -1.020  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        0.235   1.343  -2.418  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        0.479   2.483  -3.189  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        0.704   3.708  -2.563  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        1.005   5.109  -3.514  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        0.689   3.803  -1.173  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.445   2.664  -0.403  0.00  0.00    +0.010 A 
ENDBRANCH   4  18
BRANCH   5  25
ATOM     25  O   LIG    1       -1.931   0.891   1.029  0.00  0.00    -0.351 OA
ATOM     26  H   LIG    1       -2.816   0.590   1.300  0.00  0.00    +0.214 HD
ENDBRANCH   5  25
BRANCH   5  27
ATOM     27  C   LIG    1       -2.326  -0.524  -0.945  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.721  -0.953  -0.529  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1       -3.958  -2.252  -0.057  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.241  -2.638   0.338  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -6.293  -1.729   0.260  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -7.873  -2.205   0.745  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -6.073  -0.435  -0.208  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -4.790  -0.048  -0.602  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5