REMARK  Name = BDB002774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.147  -0.324   1.340  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1       -2.299  -0.270   0.073  0.00  0.00    +0.122 C 
ATOM      3  O   LIG    1       -0.933  -0.314   0.487  0.00  0.00    -0.335 OA
ATOM      4  C   LIG    1       -0.045   0.060  -0.554  0.00  0.00    +0.278 C 
ATOM      5  C   LIG    1        1.363  -0.063  -0.013  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.100  -0.967  -0.778  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        3.419  -1.267  -0.504  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        4.013  -0.627   0.587  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.283   0.287   1.368  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        1.328  -1.486  -1.804  0.00  0.00    -0.280 N 
ATOM     11  H   LIG    1        1.633  -2.155  -2.493  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        1.948   0.576   1.071  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        0.040  -0.958  -1.781  0.00  0.00    +0.282 C 
ATOM     14  O   LIG    1       -0.846  -1.250  -2.573  0.00  0.00    -0.269 OA
ATOM     15  O   LIG    1       -0.214   1.405  -0.993  0.00  0.00    -0.338 OA
ATOM     16  C   LIG    1       -1.450   1.977  -0.579  0.00  0.00    +0.166 C 
ATOM     17  C   LIG    1       -2.590   0.991  -0.742  0.00  0.00    +0.059 C 
ENDROOT
TORSDOF 0