REMARK  Name = BDB047951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.001  -3.022   1.083  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1       -1.718  -1.998   0.464  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.456  -1.880  -0.353  0.00  0.00    +0.228 C 
ATOM      4  C   LIG    1       -0.495  -0.910  -1.501  0.00  0.00    +0.278 C 
ATOM      5  O   LIG    1        0.846  -0.432  -1.556  0.00  0.00    -0.462 OA
ATOM      6  C   LIG    1        1.326  -0.642  -0.306  0.00  0.00    +0.219 C 
ATOM      7  C   LIG    1       -1.425   0.281  -1.356  0.00  0.00    +0.207 C 
ATOM      8  O   LIG    1       -1.334   1.266  -2.088  0.00  0.00    -0.288 OA
ATOM      9  C   LIG    1       -2.478   0.249  -0.321  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.359   1.337  -0.217  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.379   1.333   0.735  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.529   0.243   1.588  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.655  -0.841   1.490  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        0.647  -1.393   0.507  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1       -2.624  -0.837   0.537  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        2.596   0.041  -0.007  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.194   0.906  -0.931  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.398   1.541  -0.615  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.005   1.314   0.620  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.412   0.454   1.543  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.208  -0.182   1.232  0.00  0.00    +0.013 A 
ENDBRANCH   6  16
TORSDOF 1