REMARK  Name = BDB006586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.181  -1.879   1.552  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -2.211  -2.203   0.482  0.00  0.00    +0.042 A 
ATOM      3  N   LIG    1       -2.374  -3.241  -0.419  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -3.482  -4.167  -0.494  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -1.345  -3.372  -1.296  0.00  0.00    -0.166 NA
ATOM      6  C   LIG    1       -0.541  -2.370  -0.952  0.00  0.00    +0.153 A 
ATOM      7  C   LIG    1        0.736  -1.869  -1.411  0.00  0.00    +0.272 C 
ATOM      8  N   LIG    1        1.024  -0.759  -0.555  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -0.078  -0.535   0.440  0.00  0.00    +0.146 C 
ATOM     10  O   LIG    1        1.395  -2.337  -2.326  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.023  -1.622   0.113  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.192   0.013  -0.569  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.440   0.964   0.357  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.590   1.739   0.360  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        3.749   2.739   1.407  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.597   1.596  -0.598  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        5.627   2.265  -0.607  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        4.331   0.552  -1.635  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        5.506   0.318  -2.873  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        3.203  -0.171  -1.600  0.00  0.00    +0.050 A 
ENDBRANCH   8  12
BRANCH   9  21
ATOM     21  C   LIG    1       -0.854   0.757   0.259  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -1.127   1.303  -1.010  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.845   2.495  -1.136  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.302   3.154   0.002  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.187   4.620  -0.154  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.048   2.630   1.266  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.329   1.439   1.395  0.00  0.00    +0.007 A 
ENDBRANCH   9  21
TORSDOF 2