REMARK  Name = BDB004657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.337  -0.698   0.686  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.200   0.109   0.468  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.023  -0.530   0.028  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.098   0.299  -0.195  0.00  0.00    +0.134 A 
ATOM      5  N   LIG    1       -0.064   1.623   0.025  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.089   2.131   0.447  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.002  -1.936  -0.158  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.131  -2.711   0.066  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.216   1.445   0.669  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.298  -2.091   0.482  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.764   1.186   1.369  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.646   1.561   1.686  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.968   1.804   1.240  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.655  -0.153   1.143  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.626  -0.883   1.315  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -1.298  -0.284  -0.690  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -1.085  -0.783  -1.548  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.594   0.280  -0.731  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.046   1.206   0.217  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.357   1.684   0.175  0.00  0.00    +0.020 A 
ATOM     21 BR   LIG    1       -4.934   2.952   1.455  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -5.249   1.231  -0.793  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.827   0.281  -1.719  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.514  -0.198  -1.679  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3