REMARK  Name = BDB047608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.080  -3.638  -0.747  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.820  -2.683  -0.629  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1        0.412  -1.318  -0.299  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.816  -0.762  -0.053  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -2.161  -1.410  -0.021  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.083  -0.183  -0.109  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -2.331   0.985   0.544  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.902   0.606   0.265  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        0.269   1.377   0.314  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.533   0.821   0.052  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.486   1.863   0.185  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.804   3.011   0.521  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        0.469   2.708   0.600  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -0.265   3.364   0.830  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1        1.563  -0.543  -0.253  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        2.694  -1.411  -0.557  0.00  0.00    +0.260 A 
ATOM     17  O   LIG    1        3.862  -1.083  -0.607  0.00  0.00    -0.267 OA
ATOM     18  N   LIG    1        2.174  -2.653  -0.769  0.00  0.00    -0.289 N 
ATOM     19  H   LIG    1        2.732  -3.460  -0.995  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0