REMARK  Name = BDB047609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.471   3.233   0.733  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.354   2.775   0.610  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -0.032   1.395   0.293  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.435   1.355   0.259  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -2.071   0.172  -0.016  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -3.535  -0.105  -0.135  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -3.561  -1.636  -0.022  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -2.230  -2.141  -0.593  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.320  -0.987  -0.275  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        0.080  -0.924  -0.242  0.00  0.00    +0.052 A 
ATOM     11  N   LIG    1        1.022  -1.897  -0.462  0.00  0.00    -0.354 N 
ATOM     12  H   LIG    1        0.812  -2.856  -0.692  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        2.292  -1.393  -0.323  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        2.170  -0.038  -0.004  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.356   0.702   0.187  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.601   0.074   0.058  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.684  -1.278  -0.260  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.529  -2.038  -0.456  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -1.999   2.701   0.548  0.00  0.00    +0.141 C 
ATOM     20  C   LIG    1        0.769   0.266   0.046  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -0.816   3.495   0.749  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -0.795   4.481   0.970  0.00  0.00    +0.149 HD
ENDROOT
TORSDOF 0