REMARK  Name = BDB020781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.893  -0.589  -0.177  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.920  -1.039   0.721  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.623  -0.596   0.526  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.422  -0.917   1.301  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -0.636  -0.251   0.712  0.00  0.00    -0.257 N 
ATOM      6  C   LIG    1       -0.224   0.548  -0.429  0.00  0.00    +0.189 C 
ATOM      7  O   LIG    1        0.411  -1.646   2.273  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.255   0.266  -0.504  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.209   0.711  -1.404  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.531   0.281  -1.233  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.534   2.033  -0.292  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.200   2.738   0.882  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.476   4.103   1.006  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.085   4.784  -0.044  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.426   6.463   0.109  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.417   4.114  -1.217  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.140   2.749  -1.341  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  19
ATOM     18  C   LIG    1        5.731  -1.930   1.053  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1        5.324  -1.003  -0.063  0.00  0.00    +0.160 C 
ATOM     20  O   LIG    1        6.146  -0.585  -0.875  0.00  0.00    -0.292 OA
ENDBRANCH   1  19
BRANCH   6  21
ATOM     21  O   LIG    1       -0.815  -0.023  -1.579  0.00  0.00    -0.364 OA
ATOM     22  H   LIG    1       -0.988  -0.946  -1.333  0.00  0.00    +0.213 HD
ENDBRANCH   6  21
BRANCH   5  23
ATOM     23  C   LIG    1       -1.998  -0.294   1.226  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.865  -1.295   0.495  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.922  -0.938  -0.360  0.00  0.00    +0.024 A 
ATOM     26 BR   LIG    1       -4.418   0.867  -0.684  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1       -4.671  -1.921  -1.019  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -4.373  -3.267  -0.828  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1       -5.294  -4.471  -1.641  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -3.336  -3.645   0.017  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -2.588  -2.666   0.673  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 5