REMARK  Name = BDB047614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.605   3.506   0.007  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.478   3.067  -0.106  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -1.061   1.663   0.025  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.793   0.515   0.274  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -3.283   0.496   0.489  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.944  -0.694  -0.214  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.161  -2.011  -0.138  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -1.905  -1.943   0.727  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -1.095  -0.713   0.392  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        0.312  -0.708   0.223  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        1.057   0.450  -0.052  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        2.433   0.062  -0.159  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.494  -1.315   0.058  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        3.691  -2.042   0.029  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.871  -1.343  -0.231  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.850   0.030  -0.451  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.644   0.740  -0.418  0.00  0.00    +0.010 A 
ATOM     18  N   LIG    1        1.212  -1.747   0.288  0.00  0.00    -0.354 N 
ATOM     19  H   LIG    1        0.967  -2.708   0.476  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        0.323   1.637  -0.142  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.764   3.008  -0.390  0.00  0.00    +0.260 A 
ATOM     22  O   LIG    1        1.898   3.399  -0.575  0.00  0.00    -0.267 OA
ATOM     23  N   LIG    1       -0.353   3.782  -0.365  0.00  0.00    -0.289 N 
ATOM     24  H   LIG    1       -0.342   4.782  -0.488  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0