REMARK  Name = BDB047642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.942  -1.187   0.333  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        1.678  -0.322   0.363  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        0.613  -1.054  -0.309  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.662  -2.057  -0.141  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -0.708  -0.595  -0.198  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.126   0.723   0.077  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -2.507   1.005   0.156  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.470   0.029  -0.094  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.069  -1.251  -0.435  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -0.304   1.845   0.304  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.768   2.700   0.584  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        1.029   2.049   0.158  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        1.483   3.165   0.429  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.708  -1.550  -0.496  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.923   0.977  -0.376  0.00  0.00    +0.118 C 
ENDROOT
TORSDOF 0