REMARK  Name = BDB000600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.719  -2.978  -0.687  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -1.970  -2.053  -0.471  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -2.334  -0.646  -0.363  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.168   0.076  -0.104  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.274   1.433   0.158  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.538   2.041   0.085  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.687   1.293  -0.221  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.044  -0.788  -0.076  0.00  0.00    -0.233 N 
ATOM      9  C   LIG    1       -3.594  -0.079  -0.438  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.448  -2.116  -0.247  0.00  0.00    +0.296 C 
ATOM     11  O   LIG    1        0.184  -3.153  -0.265  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.301  -0.372   0.088  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1        1.775   0.843  -0.427  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.111   1.227  -0.264  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.001   0.392   0.404  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.559  -0.831   0.896  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.223  -1.213   0.730  0.00  0.00    +0.024 A 
ENDBRANCH   8  12
TORSDOF 1