REMARK  Name = BDB043735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.006   0.495  -0.093  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1        1.392   0.654   0.009  0.00  0.00    +0.088 A 
ATOM      3  CA  LIG    1        1.608   2.022  -0.154  0.00  0.00    +0.174 A 
ATOM      4  N   LIG    1        0.402   2.671  -0.335  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -0.547   1.758  -0.286  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -0.061  -1.375   2.275  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -0.689  -1.648   0.936  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -0.695  -0.742  -0.142  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -1.401  -1.035  -1.322  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.065  -2.252  -1.445  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1       -2.911  -2.621  -2.897  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -2.038  -3.177  -0.407  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -1.356  -2.875   0.774  0.00  0.00    +0.007 A 
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1        2.352  -0.447   0.131  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        3.155  -0.561   1.273  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.065  -1.612   1.385  0.00  0.00    +0.042 A 
ATOM     17 CL   LIG    1        5.038  -1.750   2.797  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.189  -2.554   0.366  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.401  -2.442  -0.778  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.489  -1.391  -0.897  0.00  0.00    +0.010 A 
ENDBRANCH   2  14
BRANCH   5  21
ATOM     21  C   LIG    1       -1.977   2.071  -0.413  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1       -2.391   2.977  -1.401  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -3.741   3.299  -1.554  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.693   2.726  -0.714  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.294   1.842   0.287  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.943   1.522   0.442  0.00  0.00    +0.011 A 
ENDBRANCH   5  21
BRANCH   3  27
ATOM     27  C   LIG    1        2.869   2.765  -0.198  0.00  0.00    +0.357 C 
ATOM     28  O   LIG    1        2.978   3.978  -0.317  0.00  0.00    -0.243 OA
BRANCH  27  29
ATOM     29  OXT LIG    1        3.996   2.022  -0.106  0.00  0.00    -0.476 OA
ATOM     30  HXT LIG    1        4.700   2.699  -0.169  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   3  27
TORSDOF 5