REMARK  Name = BDB057376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.983   0.423  -1.066  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.282   0.028  -0.903  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        3.216   0.872  -1.512  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        4.554   0.558  -1.403  0.00  0.00    +0.128 A 
ATOM      5  O   LIG    1        5.575   1.289  -1.954  0.00  0.00    -0.491 OA
ATOM      6  C   LIG    1        6.706   0.387  -1.869  0.00  0.00    +0.238 C 
ATOM      7  C   LIG    1        6.482  -0.560  -0.679  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1        4.993  -0.544  -0.686  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.088  -1.394  -0.079  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        2.722  -1.103  -0.192  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1        7.061   0.028   0.607  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.920  -0.943   1.747  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        7.645  -1.915   1.900  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.891  -0.669   2.577  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        5.354   0.102   2.306  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.071  -0.426  -0.600  0.00  0.00    +0.270 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.416  -0.143   0.864  0.00  0.00    +0.270 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.990   1.157   1.029  0.00  0.00    -0.489 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -4.635   0.615   0.379  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -3.257   0.334   0.491  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -2.341   1.314   0.891  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.797   2.599   1.179  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.150   2.906   1.079  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.058   1.923   0.684  0.00  0.00    +0.004 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.715  -0.638   1.056  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -5.667  -0.441  -0.061  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1       -6.377   0.032  -1.348  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.056  -1.829  -0.362  0.00  0.00    +0.015 C 
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9