REMARK  Name = BDB045586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.163   0.375   0.099  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.825  -0.003  -0.114  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.559  -1.044  -0.999  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.192  -1.162  -0.990  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.339  -1.813  -1.547  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.332  -0.241  -0.113  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.551  -1.741  -1.695  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.875  -1.352  -1.469  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.647   0.459   0.430  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.183  -0.312  -0.589  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.762  -0.058   0.165  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.167   1.049   0.932  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.515   1.274   1.229  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.478   0.380   0.755  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        4.099  -0.731  -0.008  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.745  -0.946  -0.299  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  N   LIG    1        5.897   0.604   1.060  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        6.716  -0.211   0.612  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        6.192   1.592   1.747  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -4.574   1.291   1.831  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.705   1.994   2.548  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.928   0.363   2.017  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.493   1.488   1.011  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.863   2.534   1.045  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 3