REMARK  Name = BDB049999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.669   0.282   2.095  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.543   0.246   1.250  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.878  -0.996   1.114  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -0.250  -1.078   0.281  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -0.724   0.038  -0.410  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.009   1.212  -0.219  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        1.326  -2.139   1.798  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.438  -2.079   2.627  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        1.084   1.335   0.576  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1        3.108  -0.872   2.775  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.902  -0.026  -1.285  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -2.971   0.872  -1.127  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.092   0.811  -1.960  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.162  -0.148  -2.966  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.113  -1.048  -3.140  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.994  -0.987  -2.306  0.00  0.00    +0.008 A 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     17  N   LIG    1        3.092   2.667   1.697  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        3.621   3.514   1.844  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        2.284   2.672   1.077  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        3.470   1.523   2.333  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        4.445   1.526   3.077  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2