REMARK  Name = BDB045943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.657  -1.373  -0.785  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.520  -1.300  -0.669  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.775  -0.423  -1.464  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.380  -0.488  -1.471  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.705  -1.426  -0.689  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.440  -2.308   0.100  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.839  -2.246   0.110  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.032  -1.235  -0.650  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.628   0.011   0.033  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.076   0.162   1.458  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        4.521   1.135   1.945  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.324  -0.918   2.235  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.921  -0.670   3.094  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.439   1.133  -0.833  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.965   3.362  -1.489  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.248   2.256  -0.492  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.408  -2.234   0.066  0.00  0.00    +0.230 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.902  -1.981  -0.148  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.496  -0.892   0.764  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -3.190   0.547   0.361  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -4.383   1.232   0.037  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -4.355   2.562  -0.356  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -3.122   3.216  -0.408  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -1.941   2.546  -0.056  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.505   0.342   0.231  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -6.865   0.558   0.070  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.747  -0.485   0.367  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.268  -1.723   0.824  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.898  -1.942   0.987  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -1.971   1.207   0.342  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.026  -0.907   0.679  0.00  0.00    -0.032 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10