REMARK  Name = BDB059106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.887  -0.644  -0.018  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1        0.207  -1.699  -0.779  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.209  -1.938  -0.257  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -2.045  -0.688   0.099  0.00  0.00    +0.017 C 
ATOM      5  C   LIG    1       -3.060  -0.191  -0.918  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1       -4.277   0.063  -0.249  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -5.381   0.592  -0.909  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.287   0.873  -2.267  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.093   0.621  -2.946  0.00  0.00    +0.020 A 
ATOM     10  N   LIG    1       -4.272  -0.293   1.125  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -2.979   0.092  -2.277  0.00  0.00    +0.046 A 
ATOM     12 CL   LIG    1       -1.573  -0.157  -3.226  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -3.056  -1.121   1.217  0.00  0.00    +0.117 C 
ATOM     14  C   LIG    1       -1.177   0.466   0.651  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1        0.154   0.630  -0.067  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  25
ATOM     16  O   LIG    1        4.886  -2.816   0.699  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.308  -1.802   0.323  0.00  0.00    +0.256 A 
ATOM     18  C   LIG    1        5.029  -0.584  -0.089  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        6.526  -0.625  -0.128  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1        7.133   0.571  -0.864  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.423   1.866  -0.484  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.929   1.791  -0.812  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        4.282   0.487  -0.406  0.00  0.00    +0.053 A 
ATOM     24  N   LIG    1        2.909   0.507  -0.380  0.00  0.00    -0.220 NA
ATOM     25  C   LIG    1        2.272  -0.579  -0.065  0.00  0.00    +0.198 A 
ATOM     26  N   LIG    1        2.949  -1.720   0.265  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1        2.442  -2.520   0.599  0.00  0.00    +0.172 HD
ENDBRANCH   1  25
BRANCH  10  28
ATOM     28  C   LIG    1       -4.361   0.870   2.039  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.785   0.981   2.597  0.00  0.00    +0.174 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -6.212  -0.292   3.082  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -5.886  -0.921   2.403  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4