REMARK  Name = BDB000546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -0.485  -1.524  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1       -0.539  -0.046  -2.620  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        4.990   0.790   0.706  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        3.632   0.474   0.150  0.00  0.00    -0.050 A 
ATOM      5  C   LIG    1        3.250   0.959  -1.105  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.999   0.636  -1.637  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.117  -0.185  -0.924  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.502  -0.686   0.324  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.755  -0.361   0.853  0.00  0.00    +0.004 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1       -1.207  -1.319  -0.755  0.00  0.00    +0.233 C 
ATOM     11  O   LIG    1       -0.950  -2.501  -0.560  0.00  0.00    -0.283 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -2.443  -0.686  -0.226  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -2.743   0.664  -0.444  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.911   1.216   0.089  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.781   0.427   0.840  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.489  -0.918   1.059  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.324  -1.474   0.528  0.00  0.00    +0.012 A 
ENDBRANCH  10  12
ENDBRANCH   1  10
TORSDOF 3