REMARK  Name = BDB046978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.796   3.131  -0.768  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.870   1.963  -0.391  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -0.367   1.166  -0.187  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.432  -0.241  -0.101  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -1.656  -0.907   0.071  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.848  -0.162   0.161  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.801   1.228   0.071  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.388  -2.302   0.112  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.034  -2.469  -0.034  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1        0.532  -1.226  -0.158  0.00  0.00    -0.345 N 
ATOM     11  C   LIG    1        1.960  -1.010  -0.304  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1        2.442   0.190   0.491  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -1.583   1.875  -0.104  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1        2.114   1.442  -0.154  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        2.844   2.137  -0.258  0.00  0.00    +0.149 HD
ENDROOT
TORSDOF 0