REMARK  Name = BDB006610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.612   3.026   0.563  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.549   1.548   0.482  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.425   0.714   0.483  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.047   0.691   0.560  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.320  -0.790   0.489  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.897  -1.534   0.369  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        1.070  -2.737   0.285  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.913  -0.552   0.380  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        3.252  -0.467   0.323  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.679   0.819   0.377  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.610  -1.322   0.592  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.693  -0.551   0.824  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.979  -1.059   0.929  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.074  -0.131   1.175  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.261  -2.422   0.808  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -5.391  -2.894   0.905  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.071  -3.288   0.543  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -3.321  -4.982   0.358  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -1.846  -2.750   0.446  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.539   1.501  -0.623  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.981   2.821  -0.415  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.439   3.599  -1.482  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.458   3.069  -2.769  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.023   4.028  -4.080  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.021   1.768  -2.999  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.562   0.988  -1.934  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        4.172  -1.610   0.195  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        5.467  -1.693   0.969  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        4.343  -2.630   1.297  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3