REMARK  Name = BDB000675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.182  -0.875  -0.873  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.946  -0.205  -0.347  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -3.675  -0.653  -0.742  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.522  -0.052  -0.231  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.654   0.987   0.681  0.00  0.00    +0.139 A 
ATOM      6  O   LIG    1       -1.519   1.616   1.219  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -0.234   1.224   0.860  0.00  0.00    +0.350 A 
ATOM      8  C   LIG    1       -0.095   0.114  -0.110  0.00  0.00    +0.122 A 
ATOM      9  O   LIG    1        0.749   1.786   1.339  0.00  0.00    -0.244 OA
ATOM     10  C   LIG    1       -3.901   1.440   1.099  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.189  -0.481  -0.618  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.049   0.838   0.585  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.238  -0.406  -0.578  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.334   0.230  -0.035  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        2.148   0.986   0.626  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.280  -1.331  -1.385  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.699  -0.029  -0.276  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.172  -1.016  -1.142  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.547  -1.204  -1.321  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.460  -0.407  -0.635  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.000   0.581   0.231  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.627   0.768   0.409  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   8  13
TORSDOF 2