REMARK  Name = BDB046450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.544   2.776   0.334  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.352   2.553   0.264  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -1.703   1.238   0.155  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -2.254  -0.042   0.105  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1       -1.351  -1.130  -0.002  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.055  -0.867  -0.054  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        0.597   0.428  -0.003  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        2.024   0.304  -0.079  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.317  -1.056  -0.174  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        3.623  -1.554  -0.266  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        4.672  -0.633  -0.261  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.420   0.732  -0.168  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.107   1.210  -0.077  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        1.123  -1.731  -0.157  0.00  0.00    -0.354 N 
ATOM     15  H   LIG    1        1.045  -2.736  -0.212  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -1.841  -2.451  -0.057  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.213  -2.694  -0.006  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.107  -1.633   0.100  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.636  -0.319   0.155  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.329   1.471   0.103  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.122   2.916   0.179  0.00  0.00    +0.260 A 
ATOM     22  O   LIG    1        0.933   3.514   0.164  0.00  0.00    -0.267 OA
ATOM     23  N   LIG    1       -1.357   3.477   0.271  0.00  0.00    -0.289 N 
ATOM     24  H   LIG    1       -1.514   4.469   0.338  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0