REMARK  Name = BDB050011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.222  -0.382  -0.006  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.322   0.616  -0.817  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.491   1.301  -0.445  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.124   0.967   0.776  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        3.293   1.681   1.108  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        3.803   2.682   0.258  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        3.162   2.992  -0.934  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.597  -0.005   1.567  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1        2.009   2.302  -1.283  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.466  -0.643   1.170  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.052  -3.242  -1.472  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.793  -2.526  -1.082  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -2.724  -2.432  -1.978  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.562  -1.736  -1.626  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.443  -1.110  -0.375  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -2.529  -1.198   0.510  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -3.692  -1.892   0.159  0.00  0.00    +0.004 A 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        4.067   1.435   2.364  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        5.080   2.073   2.630  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        3.620   0.473   3.221  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        2.781  -0.061   3.006  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        4.131   0.293   4.072  0.00  0.00    +0.145 HD
ENDBRANCH   5  18
TORSDOF 2